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Dynamic id - Receptor - Uniprot entry name - Uniprot id - Family - Class - PDB id - State - Species - Model type - Ligand(s) - Model name - Num. of atoms - Membrane composition - Simulation time - Software - Force field - Submitted by

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Dynamic id Receptor Uniprot entry name Uniprot ID Family Class PDB ID State Species Model type Ligand(s) Model name Num. of atoms Membrane composition Accum. sim. time (µs) Software Force field Submitted by
View 2081 5-hydroxytryptamine receptor 1a 5ht1a_human P08908 5-Hydroxytryptamine receptors A NONE None Homo sapiens Complex Antemoqua 5-HT1A 62861 POPC CHL1 8.00 Acemd 3.3 Charmm 36M Tomasz Stepniewski, IMIM Report
View 90 5-hydroxytryptamine receptor 1b 5ht1b_human P28222 5-Hydroxytryptamine receptors A 4IAR.A Inactive Homo sapiens Complex Ergotamine 5-hydroxytryptamine receptor 1B in complex with ergotamine 81056 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 85 5-hydroxytryptamine receptor 1b 5ht1b_human P28222 5-Hydroxytryptamine receptors A 4IAQ.A Inactive Homo sapiens Apoform 5-hydroxytryptamine receptor 1B 75571 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 87 5-hydroxytryptamine receptor 1b 5ht1b_human P28222 5-Hydroxytryptamine receptors A 4IAR.A Inactive Homo sapiens Apoform 5-hydroxytryptamine receptor 1B 82857 POPC 1.25 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 1105 5-hydroxytryptamine receptor 2a 5ht2a_human P28223 5-Hydroxytryptamine receptors A 6WHA Active Homo sapiens Complex 1h-indol-5-ol, 3-(2-aminoethyl)-1-methyl- 5-hydroxytryptamine receptor 2a chimera in complex with RL... 78958 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 David Aranda, IMIM Report
View 1106 5-hydroxytryptamine receptor 2a 5ht2a_human P28223 5-Hydroxytryptamine receptors A 6WHA Active Homo sapiens Complex 1h-indol-5-ol, 3-(2-aminoethyl)-1-methyl- 5-hydroxytryptamine receptor 2a chimera in complex with RL... 78957 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 David Aranda, IMIM Report
View 1107 5-hydroxytryptamine receptor 2a 5ht2a_human P28223 5-Hydroxytryptamine receptors A 6WHA Active Homo sapiens Complex 2-(5-nitro-1h-indol-3-yl)ethanamine 5-hydroxytryptamine receptor 2a chimera in complex with GP... 78959 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 David Aranda, IMIM Report
View 1108 5-hydroxytryptamine receptor 2a 5ht2a_human P28223 5-Hydroxytryptamine receptors A 6WHA Active Homo sapiens Complex 2-(5-nitro-1h-indol-3-yl)ethanamine 5-hydroxytryptamine receptor 2a chimera in complex with GP... 78955 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 David Aranda, IMIM Report
View 1109 5-hydroxytryptamine receptor 2a 5ht2a_human P28223 5-Hydroxytryptamine receptors A 6WHA Active Homo sapiens Complex 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1h-indol-3-yl]etha... 5-hydroxytryptamine receptor 2a chimera in complex with CE... 78975 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 David Aranda, IMIM Report
View 1110 5-hydroxytryptamine receptor 2a 5ht2a_human P28223 5-Hydroxytryptamine receptors A 6WHA Active Homo sapiens Complex 1h-indole, 3-(2-aminoethyl)-5-phenoxy- 5-hydroxytryptamine receptor 2a chimera in complex with ZU... 78962 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 David Aranda, IMIM Report
View 1111 5-hydroxytryptamine receptor 2a 5ht2a_human P28223 5-Hydroxytryptamine receptors A 6WHA Active Homo sapiens Complex 1h-indole, 3-(2-aminoethyl)-5-phenoxy- 5-hydroxytryptamine receptor 2a chimera in complex with ZU... 78970 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 David Aranda, IMIM Report
View 1128 5-hydroxytryptamine receptor 2a 5ht2a_human P28223 5-Hydroxytryptamine receptors A 6WHA Active Homo sapiens Complex 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1h-indol-3-yl]etha... 5-hydroxytryptamine receptor 2a chimera in complex with CE... 78979 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 David Aranda, IMIM Report
View 1175 5-hydroxytryptamine receptor 2a 5ht2a_human P28223 5-Hydroxytryptamine receptors A 6WGT Inactive Homo sapiens Complex Haze 6WGT_complex 101012 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 GPCRmd community Report
View 1176 5-hydroxytryptamine receptor 2a 5ht2a_human P28223 5-Hydroxytryptamine receptors A 7WC7 Inactive Homo sapiens Complex Arolac 7WC7_complex 85314 CLR POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 GPCRmd community Report
View 1214 5-hydroxytryptamine receptor 2a 5ht2a_human P28223 5-Hydroxytryptamine receptors A 6WHA Active Homo sapiens Complex Nboh-2c-cn HTR2A in complex with mini-Galpha-q protein 204711 POPC 1.00 GROMACS 2019.3 CHARMM CHARMM36 Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1317 5-hydroxytryptamine receptor 2a 5ht2a_human P28223 5-Hydroxytryptamine receptors A 6A93 Inactive Homo sapiens Complex Ketanserin ketansterine - 5HT2A complex 56025 POPC 0.01 ACEMD 5 Charmm 36M Tomasz Stepniewski, IMIM Report
View 94 5-hydroxytryptamine receptor 2b 5ht2b_human P41595 5-Hydroxytryptamine receptors A 4IB4.A Intermediate Homo sapiens Complex Ergotamine 5-hydroxytryptamine receptor 2B in complex with ergotamine 80994 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 214 5-hydroxytryptamine receptor 2b 5ht2b_human P41595 5-Hydroxytryptamine receptors A 5TVN Intermediate Homo sapiens Complex Lysergide 5-HT2B receptor in complex with Lysergide 205200 POP 0.10 GROMACS v2018.3 Gromos 54a7 GPCRmd community Report
View 92 5-hydroxytryptamine receptor 2b 5ht2b_human P41595 5-Hydroxytryptamine receptors A 4IB4.A Intermediate Homo sapiens Apoform 5-hydroxytryptamine receptor 2B 80975 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 211 5-hydroxytryptamine receptor 2b 5ht2b_human P41595 5-Hydroxytryptamine receptors A 5TVN Intermediate Homo sapiens Apoform 5-HT2B receptor 124986 POP 0.10 GROMACS v2018.3 Gromos 54a7 GPCRmd community Report
View 216 5-hydroxytryptamine receptor 2b 5ht2b_human P41595 5-Hydroxytryptamine receptors A 5TVN Intermediate Homo sapiens Apoform 5-HT2B receptor 124986 POP 0.10 Gromacs v2018.3 Gromos 54a7 GPCRmd community Report
View 215 5-hydroxytryptamine receptor 2b 5ht2b_human P41595 5-Hydroxytryptamine receptors A 5TVN Intermediate Homo sapiens Apoform 5-HT2B receptor 124986 POP 0.10 GROMACS v2018.3 Gromos 54a7 GPCRmd community Report
View 213 5-hydroxytryptamine receptor 2b 5ht2b_human P41595 5-Hydroxytryptamine receptors A 5TVN Intermediate Homo sapiens Apoform 5-HT2B receptor 124986 POP 0.10 GROMACS v2018.3 Gromos 54a7 GPCRmd community Report
View 217 5-hydroxytryptamine receptor 2b 5ht2b_human P41595 5-Hydroxytryptamine receptors A 5TVN Intermediate Homo sapiens Apoform name 5-HT2B receptor 124956 POP 0.10 GROMACS v2018.3 Gromos 54a7 GPCRmd community Report
View 194 Muscarinic acetylcholine receptor m1 acm1_human P11229 Acetylcholine receptors (muscarinic) A 5CXV.A Inactive Homo sapiens Complex Tiotropium Muscarinic acetylcholine receptor M1 in complex with Tiotr... 87098 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 154 Muscarinic acetylcholine receptor m1 acm1_human P11229 Acetylcholine receptors (muscarinic) A 5CXV.A Inactive Homo sapiens Apoform Muscarinic acetylcholine receptor M1 87092 POPC 1.40 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 69 Muscarinic acetylcholine receptor m2 acm2_human P08172 Acetylcholine receptors (muscarinic) A 4MQS.A Active Homo sapiens Complex Chembl3121473 Muscarinic acetylcholine receptor M2 in complex with iperoxo 87053 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 112 Muscarinic acetylcholine receptor m2 acm2_human P08172 Acetylcholine receptors (muscarinic) A 3UON.A Inactive Homo sapiens Complex Quinuclidinyl benzilate Muscarinic acetylcholine receptor M2 in complex with QUINU... 79232 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 68 Muscarinic acetylcholine receptor m2 acm2_human P08172 Acetylcholine receptors (muscarinic) A 4MQS.A Active Homo sapiens Apoform Muscarinic acetylcholine receptor M2 87046 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 72 Muscarinic acetylcholine receptor m2 acm2_human P08172 Acetylcholine receptors (muscarinic) A 4MQT.A Active Homo sapiens Apoform Muscarinic acetylcholine receptor M2 83956 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 111 Muscarinic acetylcholine receptor m2 acm2_human P08172 Acetylcholine receptors (muscarinic) A 3UON.A Inactive Homo sapiens Apoform Muscarinic acetylcholine receptor M2 79216 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 1121 Muscarinic acetylcholine receptor m2 acm2_human P08172 Acetylcholine receptors (muscarinic) A 5ZKC Inactive Homo sapiens Apoform M2 muscarinic acetylcholine receptor 95404 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 GPCRmd community Report
View 174 Muscarinic acetylcholine receptor m3 acm3_rat P08483 Acetylcholine receptors (muscarinic) A 4U15.B Inactive Rattus norvegicus Complex Tiotropium Muscarinic acetylcholine receptor M3 in complex with Tiotr... 75909 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 176 Muscarinic acetylcholine receptor m3 acm3_rat P08483 Acetylcholine receptors (muscarinic) A 4U16.B Inactive Rattus norvegicus Complex Paminereg Muscarinic acetylcholine receptor M3 in complex with Pamin... 75787 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 175 Muscarinic acetylcholine receptor m3 acm3_rat P08483 Acetylcholine receptors (muscarinic) A 4U16.B Inactive Rattus norvegicus Apoform Muscarinic acetylcholine receptor M3 75782 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 93 Muscarinic acetylcholine receptor m3 acm3_rat P08483 Acetylcholine receptors (muscarinic) A 4U15.B Inactive Rattus norvegicus Apoform Muscarinic acetylcholine receptor M3 76185 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 1116 Muscarinic acetylcholine receptor m3 acm3_rat P08483 Acetylcholine receptors (muscarinic) A 5ZHP Inactive Rattus norvegicus Apoform M3 muscarinic acetylcholine receptor 85097 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 GPCRmd community Report
View 173 Muscarinic acetylcholine receptor m4 acm4_human P08173 Acetylcholine receptors (muscarinic) A 5DSG.B Inactive Homo sapiens Complex Tiotropium Muscarinic acetylcholine receptor M4 in complex with Tiotr... 87497 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 157 Muscarinic acetylcholine receptor m4 acm4_human P08173 Acetylcholine receptors (muscarinic) A 5DSG.B Inactive Homo sapiens Apoform Muscarinic acetylcholine receptor M4 87482 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 15 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y00.B Inactive Meleagris gallopavo Complex (r)-dobutamine Beta-1 adrenergic receptor in complex with R-dobutamine 86234 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 16 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y00.B Inactive Meleagris gallopavo Complex (r)-dobutamine Partially thermostabilized Beta-1 adrenergic receptor in c... 76842 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 19 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y02.B Inactive Meleagris gallopavo Complex Carmoterol Beta-1 adrenergic receptor in complex with carmoterol 86857 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 20 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y02.B Inactive Meleagris gallopavo Complex Carmoterol Partially thermostabilized Beta-1 adrenergic receptor in c... 76290 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 25 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y03.B Inactive Meleagris gallopavo Complex Levisoprenaline Beta-1 adrenergic receptor in complex with levisoprenaline 90471 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 26 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y03.B Inactive Meleagris gallopavo Complex Levisoprenaline Partially thermostabilized Beta-1 adrenergic receptor in c... 76306 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 29 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y04.B Inactive Meleagris gallopavo Complex Levalbuterol Beta-1 adrenergic receptor in complex with levalbuterol 93756 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 55 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y04.B Inactive Meleagris gallopavo Complex Levalbuterol Beta-1 adrenergic receptor in complex with levalbuterol 76085 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 57 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2YCW.A Inactive Meleagris gallopavo Complex (s)-carazolol Beta-1 adrenergic receptor complex with carazolol 80491 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 58 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 4BVN.A Inactive Meleagris gallopavo Complex Cyanopindolol Partially thermostabilized Beta-1 adrenergic receptor 75113 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 133 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 3ZPQ.B Inactive Meleagris gallopavo Complex 4-(1-piperazinyl)-1h-indole Beta-1 adrenergic receptor in complex with 4-(1-Piperaziny... 97689 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 134 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 3ZPQ.B Inactive Meleagris gallopavo Complex 4-(1-piperazinyl)-1h-indole Partially thermostabilized Beta-1 adrenergic receptor in c... 81132 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 140 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 4AMI.A Inactive Meleagris gallopavo Complex Unii-19kxx4i4yc Partially thermostabilized Beta-1 adrenergic receptor 79173 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 149 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 5A8E.A Inactive Meleagris gallopavo Complex 4-[(2s)-3-(tert-butylamino)-2-hydroxypropoxy]-7-methyl-1h-... Beta-1 adrenergic receptor in complex with XTK 89626 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 150 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 5A8E.A Inactive Meleagris gallopavo Complex 4-[(2s)-3-(tert-butylamino)-2-hydroxypropoxy]-7-methyl-1h-... Partially thermostabilized Beta-1 adrenergic receptor in c... 80911 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 167 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 4AMJ.B Inactive Meleagris gallopavo Complex (s)-carvedilol Beta-1 adrenergic receptor 79278 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 195 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 4AMJ.B Inactive Meleagris gallopavo Complex (s)-carvedilol Partially thermostabilized Beta-1 adrenergic receptor in c... 77488 POPC 1.50 ACEMD CPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 23 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y03.B Inactive Meleagris gallopavo Apoform Beta-1 adrenergic receptor 90495 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 13 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y00.B Inactive Meleagris gallopavo Apoform Beta-1 adrenergic receptor 86233 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 14 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y00.B Inactive Meleagris gallopavo Apoform Partially thermostabilized Beta-1 adrenergic receptor 76838 POPC 1.40 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 17 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y02.B Inactive Meleagris gallopavo Apoform Beta-1 adrenergic receptor 86862 POPC 1.20 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 18 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y02.B Inactive Meleagris gallopavo Apoform Partially thermostabilized Beta-1 adrenergic receptor 76289 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 24 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y03.B Inactive Meleagris gallopavo Apoform Partially thermostabilized Beta-1 adrenergic receptor 76309 POPC 1.40 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 27 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y04.B Inactive Meleagris gallopavo Apoform Beta-1 adrenergic receptor 93783 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 28 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y04.B Inactive Meleagris gallopavo Apoform Partially thermostabilized Beta-1 adrenergic receptor 76120 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 56 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2YCW.A Inactive Meleagris gallopavo Apoform Beta-1 adrenergic receptor 80523 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 64 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2YCW.A Inactive Meleagris gallopavo Apoform Partially thermostabilized Beta-1 adrenergic receptor 75879 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 131 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 3ZPQ.B Inactive Meleagris gallopavo Apoform Beta-1 adrenergic receptor 97771 POPC 1.10 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 132 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 3ZPQ.B Inactive Meleagris gallopavo Apoform Partially thermostabilized Beta-1 adrenergic receptor 81110 POPC 1.30 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 135 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 3ZPR.B Inactive Meleagris gallopavo Apoform Beta-1 adrenergic receptor 85662 POPC 1.20 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 136 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 3ZPR.B Inactive Meleagris gallopavo Apoform Partially thermostabilized Beta-1 adrenergic receptor 80298 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 137 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 3ZPR.B Inactive Meleagris gallopavo Apoform Partially thermostabilized Beta-1 adrenergic receptor 80298 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 138 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 4AMI.A Inactive Meleagris gallopavo Apoform Beta-1 adrenergic receptor 85040 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 139 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 4AMI.A Inactive Meleagris gallopavo Apoform Partially thermostabilized Beta-1 adrenergic receptor 79153 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 141 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 4AMJ.B Inactive Meleagris gallopavo Apoform Beta-1 adrenergic receptor 79278 POPC 1.15 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 142 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 4AMJ.B Inactive Meleagris gallopavo Apoform Partially thermostabilized Beta-1 adrenergic receptor 77479 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 143 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 4BVN.A Inactive Meleagris gallopavo Apoform Beta-1 adrenergic receptor 85765 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 144 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 4BVN.A Inactive Meleagris gallopavo Apoform Partially thermostabilized Beta-1 adrenergic receptor 75112 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 147 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 5A8E.A Inactive Meleagris gallopavo Apoform Beta-1 adrenergic receptor 89628 POPC 1.25 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 148 Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 5A8E.A Inactive Meleagris gallopavo Apoform Partially thermostabilized Beta-1 adrenergic receptor 80925 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 123 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 3NY8.A Inactive Homo sapiens Complex Ici-118551 Beta-2 adrenergic receptor in complex with ICI-118551 79354 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 117 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4LDO.A Active Homo sapiens Complex Iop Beta-2 adrenergic receptor in complex with epinephrine 89367 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 9 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 2R4R Inactive Homo sapiens Complex Isonorene Beta 2 adrenergic receptor and isoproterenol 61061 POPC 0.02 ACEMD 3203 CHARMM 36 Ismael Rodriguez Espigares, Universitat Pompeu Fabra Report
View 6 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 2R4R Inactive Homo sapiens Complex (s)-carazolol Beta 2 Adrenergic Receptor & Carazolol None POPC 0.20 ACEMD 3203m CHARMM 36 Ismael Rodriguez Espigares, Universitat Pompeu Fabra Report
View 10 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 2R4R Inactive Homo sapiens Complex (s)-carazolol Beta 2 adrenergic receptor and carazolol 61111 POPC 0.02 ACEMD 3203 CHARMM 36 Ismael Rodriguez Espigares, Universitat Pompeu Fabra Report
View 160 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 5JQH.A Inactive Homo sapiens Complex (s)-carazolol Beta-2 adrenergic receptor in complex with (S)-carozol 85991 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 83 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 3D4S.A Inactive Homo sapiens Complex Aquanil Beta-2 adrenergic receptor in complex with Aquanil 81266 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 99 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 3NY9.A Inactive Homo sapiens Complex Chembl1233771 Beta-2 adrenergic receptor in complex with CHEMBL1233771 84034 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 115 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4LDL.A Active Homo sapiens Complex Chembl1160696 Beta-2 adrenergic receptor in complex with CHEMBL1160696 88334 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 121 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4LDE.A Active Homo sapiens Complex Chembl579394 Beta-2 adrenergic receptor in complex with 8-[(1r)-2-{[1,1... 91064 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 124 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 3NYA.A Inactive Homo sapiens Complex (-)-alprenolol Beta-2 adrenergic receptor in complex with (-)-Alprenolol 74259 POPC 1.20 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 1209 Guanine nucleotide-binding protein g(s) subunit alpha isoforms short adrb2_human P04896 None A 3SN6 Active Bos taurus Complex Guanine nucleotide-binding protein g(s) subunit alpha isof... Chembl579394 Beta2 adrenergic receptor in complex with Gs protein 192318 POPC 1.04 GROMACS 2016.4 CHARMM CHARMM36 Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1217 Guanine nucleotide-binding protein g(s) subunit alpha isoforms short adrb2_human P04896 None A 3SN6 Active Bos taurus Complex Levisoprenaline Guanine nucleotide-binding protein g(s) subunit alpha isof... Triple-mutant beta2 adrenergic receptor in complex with Gs... 156536 POPC 0.00 GROMACS 2019.3 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1218 Guanine nucleotide-binding protein g(s) subunit alpha isoforms short adrb2_human P04896 None A 3SN6 Active Bos taurus Complex Levisoprenaline Guanine nucleotide-binding protein g(s) subunit alpha isof... Triple-mutant beta2 adrenergic receptor in complex with Gs... 156536 POPC 1.00 GROMACS 2019.3 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1247 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 6E67 Active Homo sapiens Complex Chembl579394 B2AR-ICL3 5169 17.80 GROMACS 2021.3 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 11 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 2RH1.A Inactive Homo sapiens Apoform Beta-2 adrenergic receptor 83081 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 65 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 3D4S.A Inactive Homo sapiens Apoform Beta-2 adrenergic receptor 81277 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 88 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 3NY8.A Inactive Homo sapiens Apoform Beta-2 adrenergic receptor 79348 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 96 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 3NY9.A Inactive Homo sapiens Apoform Beta-2 adrenergic receptor 84022 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 100 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 3NYA.A Inactive Homo sapiens Apoform Beta-2 adrenergic receptor 74247 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 82 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4QKX.A Active Homo sapiens Apoform Beta-2 adrenergic receptor 89643 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 113 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4LDE.A Active Homo sapiens Apoform Beta-2 adrenergic receptor 91065 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 107 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 3PDS.A Inactive Homo sapiens Apoform Beta-2 adrenergic receptor 93416 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 114 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4LDL.A Active Homo sapiens Apoform Beta-2 adrenergic receptor 88317 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 116 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4LDO.A Active Homo sapiens Apoform Beta-2 adrenergic receptor 89361 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 159 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 5JQH.A Inactive Homo sapiens Apoform Beta-2 adrenergic receptor 85978 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 248 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4LDO Active Homo sapiens Apoform Structure of beta2 adrenoceptor 117655 CHL1 POPC 1.00 GROMACS 2019.6 CHARMM CHARMM36m Andrea Catte, University of Cagliari Report
View 249 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4LDO Active Homo sapiens Apoform Structure of beta2 adrenoceptor 117655 CHL1 POPC 1.00 GROMACS 2019.6 CHARMM CHARMM36m Andrea Catte, University of Cagliari Report
View 250 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4LDO Active Homo sapiens Apoform Structure of beta2 adrenoceptor 117652 CHL1 POPC 1.00 GROMACS 2019.6 CHARMM CHARMM36m Andrea Catte, University of Cagliari Report
View 251 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4LDO Active Homo sapiens Apoform Structure of beta2 adrenoceptor 117654 CHL1 POPC 1.00 GROMACS 2019.6 CHARMM CHARMM36m Andrea Catte, University of Cagliari Report
View 252 Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4LDO Active Homo sapiens Apoform Structure of beta2 adrenoceptor 117651 CHL1 POPC 1.00 GROMACS 2019.6 CHARMM CHARMM36m Andrea Catte, University of Cagliari Report
View 1241 Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 drd2_human P62873 Dopamine receptors A 6VMS Active Homo sapiens Complex Aripiprazole Dopamine D2 receptor in complex with aripiprazole 42983 DOPC DSPC CHL1 SDPC PSM DPPC 4.00 ACEMD 3.3.0 CHARMM CHARMM36m Ramon Guixà-González, Paul Scherrer Institut Report
View 1242 Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 drd2_human P62873 Dopamine receptors A 6VMS Active Homo sapiens Complex Dopamine Dopamine D2 receptor in complex with dopamine 43136 DOPC DSPC CHL1 SDPC PSM DPPC 4.17 ACEMD 3.3.0 CHARMM CHARMM36m Ramon Guixà-González, Paul Scherrer Institut Report
View 253 D(2) dopamine receptor drd2_human P14416 Dopamine receptors A Homology model Homo sapiens Apoform D2 46483 POP 2.40 ACEMD 3 CHARMM 36 Mariona TF, UPF Report
View 254 D(2) dopamine receptor drd2_human P14416 Dopamine receptors A Homology model Homo sapiens Apoform D2 46483 POP 0.00 ACEMD 2 CHARMM 36 Mariona TF, UPF Report
View 255 D(2) dopamine receptor drd2_human P14416 Dopamine receptors A Homology model Homo sapiens Apoform D2 receptor in complex with dopamine 46483 POP 0.00 ACEMD 2 CHARMM 36 Mariona TF, UPF Report
View 256 D(2) dopamine receptor drd2_human P14416 Dopamine receptors A Homology model Homo sapiens Apoform D2 50376 0.00 ACEMD 2 CHARMM 36 Mariona TF, UPF Report
View 257 D(2) dopamine receptor drd2_human P14416 Dopamine receptors A Homology model Homo sapiens Apoform D2 + metatyramine 46775 POP 0.00 ACEMD 2 CHARMM 36 Mariona TF, UPF Report
View 258 D(2) dopamine receptor drd2_human P14416 Dopamine receptors A Homology model Homo sapiens Apoform D2 +metatyramine 46775 POP 0.00 ACEMD 2 CHARMM 36 Mariona TF, UPF Report
View 1239 D(2) dopamine receptor drd2_human P14416 Dopamine receptors A 6CM4 Inactive Homo sapiens Apoform Dopamine D2 receptor 43025 DOPC DSPC CHL1 PSM OMEG DPPC 4.00 ACEMD 3.3.0 CHARMM CHARMM36m Ramon Guixà-González, Paul Scherrer Institut Report
View 1240 D(2) dopamine receptor drd2_human P14416 Dopamine receptors A 6CM4 Inactive Homo sapiens Apoform Dopamine d2 receptor (apoform) 42931 DOPC DSPC CHL1 SDPC PSM DPPC 3.73 ACEMD 3.3.0 CHARMM CHARMM36m Ramon Guixà-González, Paul Scherrer Institut Report
View 1243 D(2) dopamine receptor drd2_human P14416 Dopamine receptors A 6CM4 Inactive Homo sapiens Apoform Dopamine D2 receptor (apoform) 42802 DOPC DSPC DPPC CHL1 SDPC SM18 3.61 ACEMD 3.3.0 CHARMM CHARMM36m Ramon Guixà-González, Paul Scherrer Institut Report
View 106 D(3) dopamine receptor drd3_human P35462 Dopamine receptors A 3PBL.A Inactive Homo sapiens Complex Eticlopride D(3) dopamine receptor in complex with Eticlopride 90321 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 105 D(3) dopamine receptor drd3_human P35462 Dopamine receptors A 3PBL.A Inactive Homo sapiens Apoform D(3) dopamine receptor 90326 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 109 Histamine h1 receptor hrh1_human P35367 Histamine receptors A 3RZE.A Inactive Homo sapiens Complex E-doxepin Histamine H1 receptor in complex with doxepin 61250 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 126 Histamine h1 receptor hrh1_human P35367 Histamine receptors A 3RZE.A Inactive Homo sapiens Complex Z-doxepin Histamine H1 receptor in complex with Z-doxepin 61250 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 108 Histamine h1 receptor hrh1_human P35367 Histamine receptors A 3RZE.A Inactive Homo sapiens Apoform Histamine H1 receptor 61233 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 120 Type-1 angiotensin ii receptor agtr1_human P30556 Angiotensin receptors A 4ZUD.A Inactive Homo sapiens Complex Olmesartan Type-1 angiotensin II receptor with olmesartan 72226 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 146 Type-1 angiotensin ii receptor agtr1_human P30556 Angiotensin receptors A 4ZUD.A Inactive Homo sapiens Complex Olmesartan Type-1 angiotensin II receptor 72226 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 190 Type-1 angiotensin ii receptor agtr1_human P30556 Angiotensin receptors A 4ZUD.A Inactive Homo sapiens Complex Olmesartan Type-1 angiotensin II receptor in complex with olmesartan 72232 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 218 Type-1 angiotensin ii receptor agtr1_human P30556 Angiotensin receptors A 6DO1 Active Homo sapiens Complex angiotensin II type 1 receptor 82917 POPC 2.01 GROMACS 2016.4 CHARMM CHARMM36 Adrian Morales Pastor, UPF Report
View 219 Type-1 angiotensin ii receptor agtr1_human P30556 Angiotensin receptors A 6DO1 Active Homo sapiens Complex angiotensin II type 1 receptor in complex with modified AN... 82574 POPC 2.01 GROMACS 2016.4 CHARMM CHARMM36 Adrian Morales Pastor, UPF Report
View 220 Type-1 angiotensin ii receptor agtr1_human P30556 Angiotensin receptors A 6DO1 Active Homo sapiens Complex angiotensin II type 1 receptor incomplex with TRV023 73244 POPC 2.01 GROMACS 2016.4 CHARMM CHARMM36 Adrian Morales Pastor, UPF Report
View 166 Type-1 angiotensin ii receptor agtr1_human P30556 Angiotensin receptors A 4YAY.A Inactive Homo sapiens Apoform Type-1 angiotensin II receptor 76991 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 189 Type-1 angiotensin ii receptor agtr1_human P30556 Angiotensin receptors A 4ZUD.A Inactive Homo sapiens Apoform Type-1 angiotensin II receptor 72199 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 168 Endothelin b receptor ednrb_human P24530 Endothelin receptors A 5GLH Inactive Homo sapiens Complex Endothelin B receptor in complex with Endothelin-1 71427 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 158 Endothelin b receptor ednrb_human P24530 Endothelin receptors A 5GLH.A Inactive Homo sapiens Apoform Endothelin B receptor 71247 POPC 1.40 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 71 Neurotensin receptor type 1 ntr1_rat P20789 Neurotensin receptors A 4GRV Active Rattus norvegicus Complex Neurotensin receptor type 1 in complex with neurotensin 79718 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 178 Neurotensin receptor type 1 ntr1_rat P20789 Neurotensin receptors A 4XEE Active Rattus norvegicus Complex Neurotensin receptor type 1 in complex with Neurotensin 72301 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 66 Neurotensin receptor type 1 ntr1_rat P20789 Neurotensin receptors A 4GRV.A Active Rattus norvegicus Apoform Neurotensin receptor type 1 79668 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 177 Neurotensin receptor type 1 ntr1_rat P20789 Neurotensin receptors A 4XEE.A Active Rattus norvegicus Apoform Neurotensin receptor type 1 72209 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 1753 Neurotensin receptor type 1 ntr1_rat P20789 Neurotensin receptors A 4BWB Inactive Rattus norvegicus Complex Evolved Agonist-bound Neurotensin Receptor 1 - CASE STUDY 4 59348 POPC 20.00 ACEMD 3.5 Charmm37 37 Brian Medel, IMIM Report
View 1236 Neurotensin receptor type 1 ntr1_rat P20789 Neurotensin receptors A XXXX None Rattus norvegicus Apoform CaseStudy APO 4676 10.00 ACEMD 3.3 CHARMM 37 Brian Medel, IMIM Report
View 1238 Neurotensin receptor type 1 ntr1_rat P20789 Neurotensin receptors A XXXX None Rattus norvegicus Complex CaseStudy - InserveAgonist 4756 10.00 ACEMD 3.3 CHARMM 37 Brian Medel, IMIM Report
View 1237 Neurotensin receptor type 1 ntr1_rat P20789 Neurotensin receptors A XXXX None Rattus norvegicus Apoform CaseStudy - FullAgonist 4676 10.00 ACEMD 3.3 CHARMM 37 Brian Medel, IMIM Report
View 4 Delta-type opioid receptor oprd_human P41143 Opioid receptors A 4N6H Inactive Homo sapiens Complex Naltrindole Delta Opioid with Naltrindole 66513 POPC 6.14 ACEMD 3203 CHARMM 36 Ismael Rodriguez Espigares, Universitat Pompeu Fabra Report
View 8 Delta-type opioid receptor oprd_human P41143 Opioid receptors A 4N6H Inactive Homo sapiens Complex Naltrindole delta opioid receptor (human) 66513 POPC 6.14 ACEMD 3203 charmm 36 Ismael Rodriguez Espigares, Universitat Pompeu Fabra Report
View 145 Delta-type opioid receptor oprd_human P41143 Opioid receptors A 4N6H.A Inactive Homo sapiens Complex Naltrindole Delta-type opioid receptor in complex with Naltrindole 64043 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 73 Delta-type opioid receptor oprd_human P41143 Opioid receptors A 4N6H.A Inactive Homo sapiens Apoform Delta-type opioid receptor 64015 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 84 Delta-type opioid receptor oprd_human P41143 Opioid receptors A 4RWD.A Inactive Homo sapiens Apoform Delta-type opioid receptor 68040 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 60 Kappa-type opioid receptor oprk_human P41145 Opioid receptors A 4DJH.A Inactive Homo sapiens Complex Jdtic Kappa-type opioid receptor in complex with JDTic 70767 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 59 Kappa-type opioid receptor oprk_human P41145 Opioid receptors A 4DJH.A Inactive Homo sapiens Apoform Kappa-type opioid receptor 70739 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 169 Mu-type opioid receptor oprm_mouse P42866 Opioid receptors A 5C1M.A Active Mus musculus Complex Chembl321570 Mu-type opioid receptor in complex with BU72 70461 POPC 1.25 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 199 Mu-type opioid receptor oprm_mouse P42866 Opioid receptors A 5C1M Active Mus musculus Complex Morphine Active mu-opioid receptor bound to the agonist morphine 24317 CHL POP 1.20 ACEMD 5.0.6 CHARMM May 2015 Marta Filizola, Icahn School of Medicine at Mout Sinai Report
View 201 Mu-type opioid receptor oprm_mouse P42866 Opioid receptors A 5C1M Active Mus musculus Complex Oliceridine Mu-type opioid receptor bound to Oliceridine 24334 CHL1 POPC 1.18 ACEMD 5.0.6 CHARMM May 2015 Marta Filizola, Icahn School of Medicine at Mout Sinai Report
View 61 Mu-type opioid receptor oprm_mouse P42866 Opioid receptors A 4DKL.A Inactive Mus musculus Apoform Mu-type opioid receptor 73528 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 151 Mu-type opioid receptor oprm_mouse P42866 Opioid receptors A 5C1M.A Active Mus musculus Apoform Mu-type opioid receptor 70430 POPC 1.10 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 70 Nociceptin receptor oprx_human P41146 Opioid receptors A 4EA3.A Inactive Homo sapiens Complex Chembl201945 Nociceptin receptor in complex with 1-benzyl-N-[3-(1'H,3H-... 67103 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 62 Nociceptin receptor oprx_human P41146 Opioid receptors A 4EA3.A Inactive Homo sapiens Apoform Nociceptin receptor 67078 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 155 Nociceptin receptor oprx_human P41146 Opioid receptors A 5DHH.A Inactive Homo sapiens Apoform Nociceptin receptor 62143 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 156 Nociceptin receptor oprx_human P41146 Opioid receptors A 5DHG.A Inactive Homo sapiens Apoform Nociceptin receptor 65059 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 188 Orexin receptor type 1 ox1r_human O43613 Orexin receptors A 4ZJC.A Inactive Homo sapiens Complex Sb-674042 Orexin receptor type 1 in complex with sb-674042 85801 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 187 Orexin receptor type 1 ox1r_human O43613 Orexin receptors A 4ZJ8.A Inactive Homo sapiens Complex Suvorexant Orexin receptor type 1 in complex with suvorexant 87043 POPC 1.40 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 186 Orexin receptor type 1 ox1r_human O43613 Orexin receptors A 4ZJ8.A Inactive Homo sapiens Apoform Orexin receptor type 1 87031 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 172 Orexin receptor type 2 ox2r_human O43614 Orexin receptors A 4S0V.A Inactive Homo sapiens Complex Suvorexant Orexin receptor type 2 in complex with Suvorexant 86270 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 91 Orexin receptor type 2 ox2r_human O43614 Orexin receptors A 4S0V.A Inactive Homo sapiens Apoform Orexin receptor type 2 86259 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 129 Proteinase-activated receptor 1 par1_human P25116 Proteinase-activated receptors A 3VW7.A Intermediate Homo sapiens Complex Vorapaxar Proteinase-activated receptor 1 64840 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 130 Proteinase-activated receptor 1 par1_human P25116 Proteinase-activated receptors A 3VW7.A Intermediate Homo sapiens Complex Vorapaxar Proteinase-activated receptor 1 in complex with Vorapaxar 64843 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 128 Proteinase-activated receptor 1 par1_human P25116 Proteinase-activated receptors A 3VW7.A Intermediate Homo sapiens Apoform Proteinase-activated receptor 1 64823 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 1073 Vasopressin v2 receptor v2r_human P30518 P49407 Vasopressin and oxytocin receptors A 4JQI None Homo sapiens Complex Beta-arrestin-1 WT V2Rpp/B-arr1 complex 135581 10.00 ACEMD3 GPUGRID CHARMM c36 Jul 2020 Tomasz Stepniewski, IMIM Report
View 1077 Vasopressin v2 receptor v2r_human P30518 P49407 Vasopressin and oxytocin receptors A 4JQI None Homo sapiens Complex Beta-arrestin-1 T360A V2Rpp/B-arr1 complex 135530 10.00 ACEMD3 GPUGRID CHARMM c36 Jul 2020 Tomasz Stepniewski, IMIM Report
View 1078 Vasopressin v2 receptor v2r_human P30518 P49407 Vasopressin and oxytocin receptors A 4JQI None Homo sapiens Complex Beta-arrestin-1 Fab30 T360A V2Rpp/B-arr1 complex + Fab30 139773 10.00 ACEMD3 GPUGRID CHARMM c36 Jul 2020 Tomasz Stepniewski, IMIM Report
View 67 C-c chemokine receptor type 5 ccr5_human P51681 Chemokine receptors A 4MBS.A Inactive Homo sapiens Complex Maravirocum C-C chemokine receptor type 5 in complex with maravirocum 67039 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 119 C-c chemokine receptor type 5 ccr5_human P51681 Chemokine receptors A 4MBS.A Inactive Homo sapiens Complex Maravirocum C-C chemokine receptor type 5 in complex with maravirocum 67047 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 118 C-c chemokine receptor type 5 ccr5_human P51681 Chemokine receptors A 4MBS.A Inactive Homo sapiens Apoform C-C chemokine receptor type 5 67008 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 1119 C-c chemokine receptor type 5 ccr5_human P51681 Chemokine receptors A 6AKY Inactive Homo sapiens Apoform Chemokine Receptor CCR5 67733 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 GPCRmd community Report
View 103 C-x-c chemokine receptor type 4 cxcr4_human P61073 Chemokine receptors A 3ODU.A Inactive Homo sapiens Complex It1t C-X-C chemokine receptor type 4 in complex with 1t 68317 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 102 C-x-c chemokine receptor type 4 cxcr4_human P61073 Chemokine receptors A 3ODU.A Inactive Homo sapiens Complex It1t C-X-C chemokine receptor type 4 in complex with IT1t 68347 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb GPCRmd community Report
View 86 C-x-c chemokine receptor type 4 cxcr4_human P61073 Chemokine receptors A 4RWS Inactive Homo sapiens Complex C-X-C chemokine receptor type 4 in complex with vMIP-II W5... 98076 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 89 C-x-c chemokine receptor type 4 cxcr4_human P61073 Chemokine receptors A 4RWS Inactive Homo sapiens Complex C-X-C chemokine receptor type 4 in complex with vMIP-II W5... 98073 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 101 C-x-c chemokine receptor type 4 cxcr4_human P61073 Chemokine receptors A 3ODU.A Inactive Homo sapiens Apoform C-X-C chemokine receptor type 4 68282 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 104 C-x-c chemokine receptor type 4 cxcr4_human P61073 Chemokine receptors A 3OE0.A Inactive Homo sapiens Apoform C-X-C chemokine receptor type 4 68927 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 98 C-x-c chemokine receptor type 4 cxcr4_human P61073 Chemokine receptors A 4RWS.A Inactive Homo sapiens Apoform C-X-C chemokine receptor type 4 80392 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 1281 Atypical chemokine receptor 3 ackr3_human P29067 P25106 Chemokine receptors A N/A None Homo sapiens Complex Beta-arrestin-2 Flexibility of intermediate B-arr2 146973 5.01 Gromacs 5.1.4 Charmm 36M Tomasz Stepniewski, IMIM Report
View 2072 Beta-arrestin-2 ackr3_human P29067 P25106 None A 3P2D None Rattus norvegicus Complex Beta-arrestin-2 beta arrestin 2 ctail clustering docking model 167269 2.10 Acemd 3.0 Charmm 36M Tomasz Stepniewski, IMIM Report
View 2078 Beta-arrestin-2 ackr3_human P29067 P25106 None A 3P2D None Rattus norvegicus Complex Beta-arrestin-2 Beta-arrestin-2 beta arrestin 2 ctail clustering docking model 167269 2.10 Acemd 3.0 Charmm 36M Tomasz Stepniewski, IMIM Report
View 2079 Beta-arrestin-2 ackr3_human P29067 P25106 None A 3P2D None Rattus norvegicus Complex Beta-arrestin-2 Beta-arrestin-2 beta arrestin 2 ctail nores docking model 167269 1.50 Acemd 3.0 Charmm 36M Tomasz Stepniewski, IMIM Report
View 76 Free fatty acid receptor 1 ffar1_human O14842 Free fatty acid receptors A 4PHU.A Intermediate Homo sapiens Complex Tak-875 Free fatty acid receptor 1 in complex with TAK-875 64998 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 75 Free fatty acid receptor 1 ffar1_human O14842 Free fatty acid receptors A 4PHU.A Intermediate Homo sapiens Apoform Free fatty acid receptor 1 65033 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 183 Lysophosphatidic acid receptor 1 lpar1_human Q92633 Lysophospholipid (LPA) receptors A 4Z34.A Inactive Homo sapiens Complex Ono9780307 Lysophosphatidic acid receptor 1 in complex with ono9780307 81088 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 185 Lysophosphatidic acid receptor 1 lpar1_human Q92633 Lysophospholipid (LPA) receptors A 4Z36.A Inactive Homo sapiens Complex Ono-3080573 Lysophosphatidic acid receptor 1 in complex withi ono-308... 75727 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 171 Lysophosphatidic acid receptor 1 lpar1_human Q92633 Lysophospholipid (LPA) receptors A 4Z34.A Inactive Homo sapiens Apoform Lysophosphatidic acid receptor 1 81072 POPC 1.15 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 184 Lysophosphatidic acid receptor 1 lpar1_human Q92633 Lysophospholipid (LPA) receptors A 4Z35.A Inactive Homo sapiens Apoform Lysophosphatidic acid receptor 1 77526 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 127 Sphingosine 1-phosphate receptor 1 s1pr1_human P21453 Lysophospholipid (S1P) receptors A 3V2Y.A Inactive Homo sapiens Complex W146 Sphingosine 1-phosphate receptor 1 in complex with W146 80762 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 63 Sphingosine 1-phosphate receptor 1 s1pr1_human P21453 Lysophospholipid (S1P) receptors A 3V2Y.A Inactive Homo sapiens Apoform Sphingosine 1-phosphate receptor 1 80764 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 22 Cannabinoid receptor 1 cnr1_human P21554 Cannabinoid receptors A 5U09.A Inactive Homo sapiens Complex Taranabant Cannabinoid receptor 1 in complex with taranabant 69095 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 164 Cannabinoid receptor 1 cnr1_human P21554 Cannabinoid receptors A 5U09.A Inactive Homo sapiens Complex Taranabant Cannabinoid receptor 1 in complex with Taranabant 69095 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 162 Cannabinoid receptor 1 cnr1_human P21554 Cannabinoid receptors A 5TGZ.A Inactive Homo sapiens Apoform Cannabinoid receptor 1 77514 POPC 1.40 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 163 Cannabinoid receptor 1 cnr1_human P21554 Cannabinoid receptors A 5U09.A Inactive Homo sapiens Apoform Cannabinoid receptor 1 69092 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 2091 Beta-arrestin-2 cnr2_human P34972 P32121 None A NONE None Homo sapiens Complex Jwh-133 Beta-arrestin-2 Phosphorylated CB2 receptor (WT) signaling complex with be... 241524 POPC 2.00 AMBER 22 Amber 19SB Ravinder Abrol, California State University Northridge Report
View 21 Adenosine receptor a1 aa1r_human P30542 Adenosine receptors A 5UEN.Z Inactive Homo sapiens Apoform Adenosine receptor A1 79638 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 165 Adenosine receptor a1 aa1r_human P30542 Adenosine receptors A 5UEN.Z Inactive Homo sapiens Apoform Adenosine receptor A1 79638 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 33 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 2YDV.A Active Homo sapiens Complex N-ethyl-5'-carboxamido adenosine Adenosine receptor A2a in complex with NECA 88821 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 48 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 5G53.A Active Homo sapiens Complex N-ethyl-5'-carboxamido adenosine Adenosine receptor A2a in complex with N-ethyl-5'-carboxam... 98653 POPC 1.10 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 46 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 4UHR.A Active Homo sapiens Complex Cgs-21680 Adenosine receptor A2a in complex CGS-21680 85036 POPC 1.20 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 44 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 4EIY.A Inactive Homo sapiens Complex Zm241385 Adenosine receptor A2a in complex with ZM241385 79221 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 50 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 5IU4.A Inactive Homo sapiens Complex Zm241385 Adenosine receptor A2a in complex with ZM241385 86718 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 7 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 3EML Inactive Homo sapiens Complex Cholesterol A2a Adenosine receptor & Cholesterol 112357 DSPC SM18 DPPC SDPC DOPC 0.10 ACEMD 3203m CHARMM 36 Ismael Rodriguez Espigares, Universitat Pompeu Fabra Report
View 31 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 2YDO.A Active Homo sapiens Complex Adenosine Adenosine receptor A2a in complex with adenosine 88167 POPC 1.05 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 36 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 3REY.A Inactive Homo sapiens Complex Xanthine amine congener Adenosine receptor A2a in complex with xanthine amine cong... 100039 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 38 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 3RFM.A Inactive Homo sapiens Complex Caffeine Adenosine receptor A2a in complex with caffeine 92961 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 40 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 3UZA.A Inactive Homo sapiens Complex Chembl2024115 Adenosine receptor A2a in complex with 6-(2,6-dimethylpyri... 83957 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 42 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 3UZC.A Inactive Homo sapiens Complex Chembl2024114 Adenosine receptor A2a in complex with 4-(3-Amino-5-phenyl... 97100 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 1215 Adenosine receptor a2a gnas2_human aa2ar_human P29274 Adenosine receptors A 6GDG Active Homo sapiens Complex N-ethyl-5'-carboxamido adenosine Adenosine A2A receptor in complex with miniGs protein 125665 POPC 1.87 GROMACS 2016.4 CHARMM CHARMM36 Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 30 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 2YDO.A Active Homo sapiens Apoform Adenosine receptor A2a 88172 POPC 1.15 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 32 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 2YDV.A Active Homo sapiens Apoform Adenosine receptor A2a 88802 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 34 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 3QAK.A Active Homo sapiens Apoform Adenosine receptor A2a 90135 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 35 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 3REY.A Inactive Homo sapiens Apoform Adenosine receptor A2a 100015 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 37 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 3RFM.A Inactive Homo sapiens Apoform Adenosine receptor A2a 92953 POPC 1.10 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 39 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 3UZA.A Inactive Homo sapiens Apoform Adenosine receptor A2a 83916 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 41 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 3UZC.A Inactive Homo sapiens Apoform Adenosine receptor A2a 97093 POPC 1.40 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 43 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 4EIY.A Inactive Homo sapiens Apoform Adenosine receptor A2a 79215 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 45 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 4UHR.A Active Homo sapiens Apoform Adenosine receptor A2a 85022 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 47 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 5G53.A Active Homo sapiens Apoform Adenosine receptor A2a 98659 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 49 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 5IU4.A Inactive Homo sapiens Apoform Adenosine receptor A2a 86703 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 51 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 5IU7.A Inactive Homo sapiens Apoform Adenosine receptor A2a 78332 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 52 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 5IU8.A Inactive Homo sapiens Apoform Adenosine receptor A2a 90038 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 53 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 5IUA.A Inactive Homo sapiens Apoform Adenosine receptor A2a 86479 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 54 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 5IUB.A Inactive Homo sapiens Apoform Adenosine receptor A2a 85682 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 773 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 5UIG Inactive Homo sapiens Apoform adenosine receptor a2a (apoform) 93822 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 GPCRmd community Report
View 1112 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 5N2R Inactive Homo sapiens Apoform A2A adenosine receptor A2AR-StaR2-bRIL 87309 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 GPCRmd community Report
View 181 P2y purinoceptor 1 p2ry1_human P47900 P2Y receptors A 4XNW.A Intermediate Homo sapiens Complex Mrs-2500 P2Y purinoceptor 1 in complex with mrs-2500 63564 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 182 P2y purinoceptor 1 p2ry1_human P47900 P2Y receptors A 4XNW.A Intermediate Homo sapiens Complex Mrs-2500 P2Y purinoceptor 1 in complex with mrs-2500 63561 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 206 P2y purinoceptor 1 p2ry1_human P47900 P2Y receptors A 4XNV.A Intermediate Homo sapiens Complex Bptu P2Y purinoceptor 1 in complex with BPTU 68835 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 207 P2y purinoceptor 1 p2ry1_human P47900 P2Y receptors A 4XNV.A Intermediate Homo sapiens Complex Bptu P2Y purinoceptor 1 in complex with BPTU 68835 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 179 P2y purinoceptor 1 p2ry1_human P47900 P2Y receptors A 4XNV.A Intermediate Homo sapiens Apoform P2Y purinoceptor 1 68818 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 180 P2y purinoceptor 1 p2ry1_human P47900 P2Y receptors A 4XNW.A Intermediate Homo sapiens Apoform P2Y purinoceptor 1 63523 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 78 P2y purinoceptor 12 p2y12_human Q9H244 P2Y receptors A 4PXZ.A Intermediate Homo sapiens Complex Methylthio-adenosine diphosphate P2Y purinoceptor 12 in complex with Methylthio-adenosine d... 65814 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 80 P2y purinoceptor 12 p2y12_human Q9H244 P2Y receptors A 4PY0.A Intermediate Homo sapiens Complex 2-mesatp P2Y purinoceptor 12 in complex with 2-Mesatp 71284 POPC 3.90 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 77 P2y purinoceptor 12 p2y12_human Q9H244 P2Y receptors A 4PXZ.A Intermediate Homo sapiens Apoform P2Y purinoceptor 12 65732 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 79 P2y purinoceptor 12 p2y12_human Q9H244 P2Y receptors A 4PY0.A Intermediate Homo sapiens Apoform P2Y purinoceptor 12 71250 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 1995 G-protein coupled bile acid receptor 1 gpbar_human Q8TDU6 Bile acid receptors A 7cfm None Homo sapiens Complex [(3r)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(2,4-difluorophen... 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-di... TGR5 - system 3 116718 POPC 1.50 ACEMD 3.2.3 CHARMM 7.3.1 M. Giovanna E. Papadopoulos, Philipps University Marburg Report
View 1996 G-protein coupled bile acid receptor 1 gpbar_human Q8TDU6 Bile acid receptors A 7cfm None Homo sapiens Complex [(3r)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(2,4-difluorophen... 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-di... TGR5 - system 4 116581 POPC 1.50 ACEMD 3.2.3 CHARMM 7.3.1 M. Giovanna E. Papadopoulos, Philipps University Marburg Report
View 1991 G-protein coupled bile acid receptor 1 gpbar_human Q8TDU6 Bile acid receptors A 7cfm None Homo sapiens Complex 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-di... TGR5 - system 2 116665 POPC CHL1 1.50 ACEMD 3.2.3 CHARMM 7.3.1 M. Giovanna E. Papadopoulos, Philipps University Marburg Report
View 1990 G-protein coupled bile acid receptor 1 gnas2_human gpbar_human P62873 Q8TDU6 P63092 P59768 Bile acid receptors A 7cfm None Homo sapiens Complex G(s) gamma-2 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-di... G(s) beta-1 TGR5 - system 1 214279 POPC CHL1 1.50 ACEMD 3.2.3 CHARMM 7.3.1 M. Giovanna E. Papadopoulos, Philipps University Marburg Report
View 12 Rhodopsin opsd_bovin P02699 Opsins A 1U19.A Inactive Bos taurus Apoform Rhodopsin 81138 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 122 Rhodopsin opsd_bovin P02699 Opsins A 3DQB.A Active Bos taurus Apoform Rhodopsin 68456 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 125 Rhodopsin opsd_bovin P02699 Opsins A 3PQR.A Active Bos taurus Apoform Rhodopsin 70593 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 197 Rhodopsin opsd_bovin P02699 Opsins A 4J4Q Active Bos taurus Apoform active conformation of GPCR opsin stabilized by octylgluco... 130395 POPG POPC 51.61 ACEMD CHARMM 36m Jul 2017 George Khelashvili, Weill Cornell Medical College Report
View 872 Rhodopsin opsd_bovin P02699 Opsins A 5DYS Active Bos taurus Apoform rhodopsin (apoform) 70294 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 GPCRmd community Report
View 1245 Olfactory receptor 51e2 o51e2_human Q9H255 Olfactory A 8F76 Active Homo sapiens Complex Propionic acid OR51E2 with propionate acid 77789 POPC CHSD 0.00 GROMACS 2021.3 CHARMM 36m David Aranda, IMIM Report
View 1246 Olfactory receptor 51e2 o51e2_human Q9H255 Olfactory A 8F76 Active Homo sapiens Complex Propionic acid OR51E2-Q181D with propionate acid 77642 POPC CHSD 0.00 GROMACS 2021.3 CHARMM 36m David Aranda, IMIM Report
View 1244 Olfactory receptor 51e2 o51e2_human Q9H255 Olfactory A 8F76 Active Homo sapiens Complex OR51E2 77778 POPC CHSD 0.00 GROMACS 2021.3 CHARMM 36m David Aranda, IMIM Report
View 1750 Olfactory receptor 51e2 o51e2_human Q9H255 Olfactory A 8F76 Active Homo sapiens Complex OR51E2 108227 POPC CHL1 25.01 GROMACS 2021.2 Charmm 36m Riccardo Capelli, Università degli Studi di Milano Report
View 1751 Olfactory receptor 51e2 o51e2_human Q9H255 Olfactory A 8F76 Active Homo sapiens Complex OR51E2 108227 POPC CHL1 25.01 GROMACS 2021.2 Charmm 36m Riccardo Capelli, Università degli Studi di Milano Report
View 1752 Olfactory receptor 51e2 o51e2_human Q9H255 Olfactory A 8F76 Active Homo sapiens Apoform OR51E2 107265 POPC CHL1 25.01 GROMACS 2021.2 Charmm 36m Riccardo Capelli, Università degli Studi di Milano Report
View 1742 Probable g-protein coupled receptor 34 gpr34_human Q9UPC5 Class A orphans A 8XBI None Homo sapiens Complex M1 GPR34 receptor complex with ligand M1 39497 POPC 1.00 maestro 2019-3 OPLS OPLS3e Luying Chen, University of Tokyo Report
View 1743 Probable g-protein coupled receptor 34 gpr34_human Q9UPC5 Class A orphans A 8XBG None Homo sapiens Complex Sn1 lysops 18:1 GPR34 receptor complex with ligand sn1-LysoPS-18:1 39789 POPC 1.00 maestro 2019-3 OPLS OPLS3e Luying Chen, University of Tokyo Report
View 1744 Probable g-protein coupled receptor 34 gpr34_human Q9UPC5 Class A orphans A 8XBG None Homo sapiens Complex Sn2 lysops 18:1 GPR34 receptor complex with ligand sn2-LysoPS-18:1 39789 POPC 1.00 maestro 2019-3 OPLS OPLS3e Luying Chen, University of Tokyo Report
View 1741 Probable g-protein coupled receptor 34 gpr34_human Q9UPC5 Class A orphans A 8XBG None Homo sapiens Complex S3e lysops GPR34 receptor complex with ligand S3E-LysoPS 39795 POPC 1.00 maestro 2019-3 OPLS OPLS3e Luying Chen, University of Tokyo Report
View 1745 Probable g-protein coupled receptor 34 gpr34_human Q9UPC5 Class A orphans A 8XBG None Homo sapiens Complex S3e-noamine-lysops GPR34 receptor complex with ligand S3E-noamine-LysoPS 39812 POPC 1.00 maestro 2019-3 OPLS OPLS3e Luying Chen, University of Tokyo Report
View 1166 Gpr183 gp183_human P32249 Class A orphans A 7TUZ Active Homo sapiens Apoform gpr183_apo 58375 POPC 4.50 Acemd 3.5 Charmm c36 Jul 2020 The GPCR drug discovery lab Team, IMIM-UPF Report
View 170 G-protein coupled receptor homolog us28 us28_hcmva P69332 Unclassified A 4XT1.A Active Human cytomegalovirus (strain AD169) Apoform G-protein coupled receptor homolog US28 76461 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 97 Corticotropin-releasing factor receptor 1 crfr1_human P34998 Corticotropin-releasing factor receptors B1 4K5Y.C Inactive Homo sapiens Complex Cp-376395 Corticotropin-releasing factor receptor 1 in complex with ... 76319 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 95 Corticotropin-releasing factor receptor 1 crfr1_human P34998 Corticotropin-releasing factor receptors B1 4K5Y.C Inactive Homo sapiens Apoform Corticotropin-releasing factor receptor 1 76298 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 699 Glucagon-like peptide 1 receptor glp1r_human P43220 Glucagon receptor family B1 5VEW Inactive Homo sapiens Complex Chembl3648185 glucagon-like peptide 1 receptor in complex with MYZIDYJMN... 129085 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 GPCRmd community Report
View 705 Glucagon-like peptide 1 receptor glp1r_human P43220 Glucagon receptor family B1 6KK1 Inactive Homo sapiens Complex Chembl3648185 glucagon-like peptide 1 receptor in complex with MYZIDYJMN... 128729 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 GPCRmd community Report
View 711 Glucagon-like peptide 1 receptor glp1r_human P43220 Glucagon receptor family B1 5VEX Inactive Homo sapiens Complex 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamo... glucagon-like peptide 1 receptor in complex with PPTKULJUD... 128732 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 GPCRmd community Report
View 877 Glucagon-like peptide 1 receptor glp1r_human P43220 Glucagon receptor family B1 6KK7 Inactive Homo sapiens Complex Chembl3648185 glucagon-like peptide 1 receptor in complex with MYZIDYJMN... 125333 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 GPCRmd community Report
View 1039 Glucagon-like peptide 1 receptor glp1r_human P43220 Glucagon receptor family B1 6KJV Inactive Homo sapiens Complex Chembl3648185 glucagon-like peptide 1 receptor in complex with MYZIDYJMN... 127617 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 GPCRmd community Report
View 1065 Glucagon-like peptide 1 receptor glp1r_human P43220 Glucagon receptor family B1 5NX2 Intermediate Homo sapiens Complex Glucagon-like peptide 1 (GLP-1) receptor in complex with t... 171983 POPC 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 GPCRmd community Report
View 110 Glucagon receptor glr_human P47871 Glucagon receptor family B1 4L6R.A Inactive Homo sapiens Apoform Glucagon receptor 83794 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 247 Guanine nucleotide-binding protein g(s) subunit alpha isoforms short pth1r_human P04896 Parathyroid hormone receptors B1 6NBF Active Bos taurus Complex Guanine nucleotide-binding protein g(s) subunit alpha isof... Parathyroid hormone receptor in complex with parathyroid h... 89825 CLR POPC 1.50 ACEMD3 GPUGRID CHARMM 36m Feb 2016 David Aranda, IMIM Report
View 234 Guanine nucleotide-binding protein g(s) subunit alpha isoforms short pth1r_human P04896 None B1 6NBF Active Bos taurus Complex Guanine nucleotide-binding protein g(s) subunit alpha isof... Parathyroid hormone receptor in complex with long-acting p... 89604 CLR POPC 1.00 ACEMD3 GPUGRID CHARMM 36m Feb 2016 David Aranda, IMIM Report
View 237 Guanine nucleotide-binding protein g(s) subunit alpha isoforms short pth1r_human P04896 Parathyroid hormone receptors B1 6NBF Active Bos taurus Complex Guanine nucleotide-binding protein g(s) subunit alpha isof... Parathyroid hormone receptor in complex with parathyroid h... 89602 CLR POPC 0.50 ACEMD3 GPUGRID CHARMM 36m Feb 2016 David Aranda, IMIM Report
View 238 Guanine nucleotide-binding protein g(s) subunit alpha isoforms short pth1r_human P04896 Parathyroid hormone receptors B1 6NBF Active Bos taurus Complex Guanine nucleotide-binding protein g(s) subunit alpha isof... Parathyroid hormone receptor in complex with parathyroid h... 89618 CLR POPC 0.50 ACEMD3 GPUGRID CHARMM 36m Feb 2016 David Aranda, IMIM Report
View 81 Metabotropic glutamate receptor 1 grm1_human Q13255 Metabotropic glutamate receptors C 4OR2.A Inactive Homo sapiens Apoform Metabotropic glutamate receptor 1 64854 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 193 Metabotropic glutamate receptor 5 grm5_human P41594 Metabotropic glutamate receptors C 5CGD.A Inactive Homo sapiens Complex Htl14242 Metabotropic glutamate receptor 5 in complex with HTL14242 65484 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 74 Metabotropic glutamate receptor 5 grm5_human P41594 Metabotropic glutamate receptors C 4OO9.A Inactive Homo sapiens Apoform Metabotropic glutamate receptor 5 69144 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 152 Metabotropic glutamate receptor 5 grm5_human P41594 Metabotropic glutamate receptors C 5CGC.A Inactive Homo sapiens Apoform Metabotropic glutamate receptor 5 67330 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 153 Metabotropic glutamate receptor 5 grm5_human P41594 Metabotropic glutamate receptors C 5CGD.A Inactive Homo sapiens Apoform Metabotropic glutamate receptor 5 65499 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 196 Frizzled-4 fzd4_human Q9ULV1 Frizzled F 6BD4 Inactive Homo sapiens Apoform human apo-Frizzled4 receptor 61069 POPC 0.20 GROMACS 2016.5 CHARMM 36m Schulte lab, Karolinska Institutet Report
View 1265 Frizzled-5 fzd5_human Q13467 Frizzled F Homo None Homo sapiens Apoform FZD5 (G180-C539) G422A 74466 POPC 1.50 GROMACS 2021.3 CHARMM 36m Magdalena Scharf, Karolinska Institute Report
View 1266 Frizzled-5 fzd5_human Q13467 Frizzled F Homo None Homo sapiens Apoform FZD5 (G180-C539) L419A 74520 POPC 1.50 GROMACS 2021.3 CHARMM 36m Magdalena Scharf, Karolinska Institute Report
View 1267 Frizzled-5 fzd5_human Q13467 Frizzled F Homo None Homo sapiens Apoform FZD5 (G180-C539) Y278A 74428 POPC 1.50 GROMACS 2021.3 CHARMM 36m Magdalena Scharf, Karolinska Institute Report
View 1268 Frizzled-5 fzd5_human Q13467 Frizzled F Homo None Homo sapiens Apoform FZD5 (G180-C539) Y470A 74359 POPC 1.50 GROMACS 2021.3 CHARMM 36m Magdalena Scharf, Karolinska Institute Report
View 1260 Frizzled-5 fzd5_human Q13467 Frizzled F Homo None Homo sapiens Apoform FZD5 (G180-C539) wt 74487 POPC 1.50 GROMACS 2021.3 CHARMM 36m Magdalena Scharf, Karolinska Institute Report
View 1262 Frizzled-5 fzd5_human Q13467 Frizzled F Homo None Homo sapiens Apoform FZD5 (G180-C539) R449A 74804 POPC 1.50 GROMACS 2021.3 CHARMM 36m Magdalena Scharf, Karolinska Institute Report
View 1263 Frizzled-5 fzd5_human Q13467 Frizzled F Homo None Homo sapiens Apoform FZD5 (G180-C539) W520A 74517 POPC 1.50 GROMACS 2021.3 CHARMM 36m Magdalena Scharf, Karolinska Institute Report
View 1264 Frizzled-5 fzd5_human Q13467 Frizzled F Homo None Homo sapiens Apoform FZD5 (G180-C539) C277A 74504 POPC 1.50 GROMACS 2021.3 CHARMM 36m Magdalena Scharf, Karolinska Institute Report
View 205 Frizzled-6 fzd6_human O60353 Frizzled F Homology model Homo sapiens Complex Protonated smoothened agonist active-like FZD6 SAG1.3-bound 140198 POPC 3.00 GROMACS 2016.5 CHARMM 36m Schulte lab, Karolinska Institutet Report
View 202 Frizzled-6 fzd6_human O60353 Frizzled F Homology model Homo sapiens Complex Protonated smoothened agonist inactive FZD6 bound to Smoothened agonist 77153 POPC 1.00 GROMACS 2016.5 CHARMM 36m Schulte lab, Karolinska Institutet Report
View 244 Frizzled-6 gnas2_human fzd6_human O60353 P63092 Frizzled F Homology model Homo sapiens Complex Frizzled-6 in complex wih miniGs/i 183402 POPC 0.55 GROMACS 2019.2 CHARMM36, GAFF2 CHARMM36, GAFF2 Schulte lab, Karolinska Institutet Report
View 241 Frizzled-6 fzd6_human O60353 Frizzled F Homology model Homo sapiens Apoform Frizzled-6 modeled from human Smoothened receptor 149361 POPC 1.25 GROMACS 2019.2 CHARMM36, GAFF2 CHARMM36, GAFF2 Schulte lab, Karolinska Institutet Report
View 242 Frizzled-6 fzd6_human O60353 Frizzled F Homology model Homo sapiens Apoform Frizzled-6 149367 POPC 1.25 GROMACS 2019.2 CHARMM36, GAFF2 CHARMM36, GAFF2 Schulte lab, Karolinska Institutet Report
View 243 Frizzled-6 fzd6_human O60353 Frizzled F Homology model Homo sapiens Apoform Frizzled-6 149297 POPC 0.50 GROMACS 2019.2 CHARMM36, GAFF2 CHARMM36, GAFF2 Schulte lab, Karolinska Institutet Report
View 2064 Frizzled-7 fzd7_human O75084 Frizzled F 9EPO None Homo sapiens Apoform FZD7 in inactive conformation (Homo) 64511 POPC Y01 1.80 Gromacs 2023-2 CHARMM 36m Julien Bous, Karolinsk Institutet Report
View 2065 Frizzled-7 fzd7_human O75084 Frizzled F 9EW2 None Homo sapiens Apoform FZD7 in active conformation (Homo) 65088 POPC Y01 1.80 Gromacs 2023-2 CHARMM 36m Julien Bous, Karolinsk Institutet Report
View 192 Smoothened homolog smo_human Q99835 Frizzled F 5L7I.Z Inactive Homo sapiens Complex Vismodegib Smoothened homolog in complex with Vismodegib 155588 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 203 Smoothened homolog smo_human Q99835 Frizzled F 4QIN Inactive Homo sapiens Complex Protonated smoothened agonist human smoothened receptor in complex with SAG 72107 POPC 0.60 GROMACS 2016.5 CHARMM 36m Schulte lab, Karolinska Institutet Report
View 204 Smoothened homolog smo_human Q99835 Frizzled F 4QIN Inactive Homo sapiens Complex Sag 1.5 human smoothened receptor in complex with SAG 67784 POPC 0.81 Gromacs 2016.5 CHARMM 36m Schulte lab, Karolinska Institutet Report
View 161 Smoothened homolog smo_human Q99835 Frizzled F 5L7D.Z Inactive Homo sapiens Apoform Smoothened homolog 143599 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 191 Smoothened homolog smo_human Q99835 Frizzled F 5L7I.Z Inactive Homo sapiens Apoform Smoothened homolog 155591 POPC 1.40 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community Report
View 198 Smoothened homolog smo_human Q99835 Frizzled F 4QIN Inactive Homo sapiens Apoform human smoothened receptor 71969 POPC 0.60 GROMACS 2016.5 CHARMM 36m Schulte lab, Karolinska Institutet Report
View 200 Smoothened homolog smo_human Q99835 Frizzled F 4QIN Inactive Homo sapiens Apoform human smoothened receptor 67795 POPC 1.33 GROMACS 2016.5 CHARMM 36m Schulte lab, Karolinska Institutet Report
View 239 Smoothened homolog smo_human Q99835 Frizzled F 6OT0 Active Homo sapiens Apoform human Smoothened receptor 156405 POPC 1.25 GROMACS 2019.2 CHARMM36, GAFF2 CHARMM36, GAFF2 Schulte lab, Karolinska Institutet Report
View 240 Smoothened homolog smo_human Q99835 Frizzled F 6OT0 Active Homo sapiens Apoform uman Smoothened receptor 156399 POPC 1.25 GROMACS 2019.2 CHARMM36, GAFF2 CHARMM36, GAFF2 Schulte lab, Karolinska Institutet Report
View 245 Guanine nucleotide-binding protein g(s) subunit alpha isoforms short gnas2_human fzd7_human P63092 Gprotein F 7EVW Active Homo sapiens Complex Frizzled-7 in complex with MiniGs393 193332 POPC 0.50 GROMACS 2020.4 CHARMM CHARMM36 Schulte lab, Karolinska Institutet Report
View 1200 Guanine nucleotide-binding protein g(s) subunit alpha isoforms short gnas2_human drd1_human P63092 Gprotein A 7JVP Active Homo sapiens Complex 1h-3-benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-3-m... Dopamine receptor 1 in complex with Gs protein 210687 POPC 1.00 GROMACS 2019.3 CHARMM CHARMM36 Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 2067 Guanine nucleotide-binding protein g(s) subunit alpha isoforms short gnas2_human cnr1_human P21554 P63092 Gprotein A 6N4B Active Homo sapiens Complex dynamics of the CB1/Gs complex 94976 POPC 6.00 Acemd 3.0 Charmm 36M Tomasz Stepniewski, IMIM Report
View 1201 Guanine nucleotide-binding protein g(i) subunit alpha-1 cnr1_human gnai1_human P63096 Gprotein A 6N4B Active Homo sapiens Complex Mdmb-fubinaca Cannabinoid Receptor 1 in complex with Gi1 Protein 203557 POPC 1.00 GROMACS 2019.3 CHARMM CHARMM36 Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1204 Guanine nucleotide-binding protein g(o) subunit alpha 5ht1b_human gnao_human P09471 Gprotein A 6G79 Active Homo sapiens Complex 2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-... Serotonin 5-HT1B receptor in complex with Go protein 119416 POPC 1.80 GROMACS 2016.4 CHARMM CHARMM36 Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1212 Guanine nucleotide-binding protein g(i) subunit alpha-2 aa1r_human gnai2_human P04899 Gprotein A 6D9H Active Homo sapiens Complex Adenosine Adenosine A1 receptor in complex with Gi2 protein 129243 POPC 1.00 GROMACS 2016.4 CHARMM CHARMM36 Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1248 Guanine nucleotide-binding protein g(i) subunit alpha-1 gnai1_human P63096 Gprotein 6OS9 Active Homo sapiens Complex Cid 21604868 Gi-trimer-GDP 11914 6.30 GROMACS 2022.1 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1249 Guanine nucleotide-binding protein g(i) subunit alpha-1 gnai1_human P63096 Gprotein 6OS9 Active Homo sapiens Complex Cid 6830 Gi-trimer-GTP-WT 11899 6.30 GROMACS 2022.1 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1250 Guanine nucleotide-binding protein g(i) subunit alpha-1 gnai1_human P63096 Gprotein 6OS9 Active Homo sapiens Complex Cid 6830 Magnesium ion Gi-trimer-GTP-Q204D 11894 4.20 GROMACS 2022.1 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1251 Guanine nucleotide-binding protein g(i) subunit alpha-1 gnai1_human P63096 Gprotein 6OS9 Active Homo sapiens Complex Cid 6830 Magnesium ion Gi-trimer-GTP-Q204L 11901 6.30 GROMACS 2022.1 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1252 Guanine nucleotide-binding protein g(i) subunit alpha-1 gnai1_human P63096 Gprotein 6OS9 Active Homo sapiens Complex Cid 6830 Magnesium ion Gi-trimer-GTP-Q204P 11896 6.30 GROMACS 2022.1 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1253 Guanine nucleotide-binding protein g(i) subunit alpha-1 gnai1_human P63096 Gprotein 1GIA None Homo sapiens Complex Cid 6830 Magnesium ion Gai-GTP-WT 5004 12.00 GROMACS 2022.1 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1254 Guanine nucleotide-binding protein g(i) subunit alpha-1 gnai1_human P63096 Gprotein 1GIA None Homo sapiens Complex Cid 6830 Magnesium ion Gai-GTP-Q204L 5006 12.00 GROMACS 2022.1 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1255 Guanine nucleotide-binding protein g(i) subunit alpha-1 gnai1_human P63096 Gprotein 1GIA None Homo sapiens Complex Cid 6830 Magnesium ion Gai-GTP-Q204P 5001 12.00 GROMACS 2022.1 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1256 Guanine nucleotide-binding protein g(i) subunit alpha-1 gnai1_human P63096 Gprotein 1GIA None Homo sapiens Complex Cid 6830 Magnesium ion Gai-GTP-Q204R 5001 12.00 GROMACS 2022.1 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1720 Guanine nucleotide-binding protein g(o) subunit alpha gnao_human P09471 Gprotein 3C7K None Homo sapiens Complex Cid 6830 Magnesium Wildtype monomeric GNAO protein 57478 5.00 GROMACS 2021.3 CHARMM CHARMM36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1728 Guanine nucleotide-binding protein g(o) subunit alpha gnao_human P62873 P09471 P59768 Gprotein 6CRK None Homo sapiens Complex Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit ... Cid 21604868 Guanine nucleotide-binding protein g(i)/g(s)/g(o) subunit ... Wildtype trimeric GNAO with G-beta and G-gamma 124965 3.33 GROMACS 2021.3 CHARMM CHARMM36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1257 Guanine nucleotide-binding protein g(i) subunit alpha-1 gnai1_human P63096 Gprotein 6OS9 Active Homo sapiens Complex Cid 6830 Magnesium ion NTSR1-Gi 16904 0.16 GROMACS 2022.1 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1190 Guanine nucleotide-binding protein g(i) subunit alpha-1 hrh1_human gnai1_human gnaq_human P63096 Gprotein A 7DFL Active Homo sapiens Complex Eramin Histamine H1 receptor in complex with Gq protein 187748 POPC 1.00 GROMACS 2019.3 CHARMM CHARMM36 Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1203 Guanine nucleotide-binding protein g(s) subunit alpha isoforms short adrb2_human gna11_human P04896 None A 3SN6 Active Bos taurus Complex Levisoprenaline Guanine nucleotide-binding protein g(s) subunit alpha isof... Triple-mutant beta2 adrenergic receptor in complex with Gq... 153787 POPC 1.00 GROMACS 2016.4 CHARMM CHARMM36 Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1207 Guanine nucleotide-binding protein subunit alpha-11 gna11_human acm1_human P29992 Gprotein A 6OIJ Active Homo sapiens Complex Chembl3121473 Muscarinic acetylcholine receptor 1 in complex with G11 pr... 178513 POPC 1.00 GROMACS 2019.3 CHARMM CHARMM36 Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1280 Beta-arrestin-2 P29067 None N/A None Rattus norvegicus Complex Beta-arrestin-2 Beta-arrestin-2 Spontaneous inactivation of intermediate B-arr2 143454 3.50 Gromacs 5.1.4 Charmm 36M Tomasz Stepniewski, IMIM Report
View 1304 Sarcoplasmic/endoplasmic reticulum calcium atpase 2 P16615 None 3W5A None Homo sapiens Complex Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 SERCA GaMD rep 3 15409 0.21 Amber 20 Amber FF19SB Abigail Teitgen, University of California, San Diego Report
View 1305 Sarcoplasmic/endoplasmic reticulum calcium atpase 2 P16615 None 3W5A None Homo sapiens Complex Adenosine-5'-triphosphate Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 ATP-SERCA MD 15452 0.15 Amber 20 Amber FF19SB Abigail Teitgen, University of California, San Diego Report
View 1306 Sarcoplasmic/endoplasmic reticulum calcium atpase 2 P16615 None 3W5A None Homo sapiens Complex Adenosine-5'-triphosphate Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 ATP-SERCA GaMD rep 1 15452 0.11 Amber 20 Amber FF19SB Abigail Teitgen, University of California, San Diego Report
View 1307 Sarcoplasmic/endoplasmic reticulum calcium atpase 2 P16615 None 3W5A None Homo sapiens Complex Adenosine-5'-triphosphate Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 ATP-SERCA GaMD rep 1 ext 15452 0.10 Amber 20 Amber FF19SB Abigail Teitgen, University of California, San Diego Report
View 1308 Sarcoplasmic/endoplasmic reticulum calcium atpase 2 P16615 None 3W5A None Homo sapiens Complex Adenosine-5'-triphosphate Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 ATP-SERCA GaMD rep 2 15452 0.21 Amber 20 Amber FF19SB Abigail Teitgen, University of California, San Diego Report
View 1309 Sarcoplasmic/endoplasmic reticulum calcium atpase 2 P16615 None 3W5A None Homo sapiens Complex Adenosine-5'-triphosphate Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 ATP-SERCA GaMD rep 3 15452 0.21 Amber 20 Amber FF19SB Abigail Teitgen, University of California, San Diego Report
View 1301 Sarcoplasmic/endoplasmic reticulum calcium atpase 2 P16615 None 3W5A None Homo sapiens Complex Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 SERCA GaMD rep 1 15409 0.21 Amber 20 Amber FF19SB Abigail Teitgen, University of California, San Diego Report
View 1302 Sarcoplasmic/endoplasmic reticulum calcium atpase 2 P16615 None 3W5A None Homo sapiens Complex Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 SERCA GaMD rep 1 ext 15409 0.10 Amber 20 Amber FF19SB Abigail Teitgen, University of California, San Diego Report
View 1303 Sarcoplasmic/endoplasmic reticulum calcium atpase 2 P16615 None 3W5A None Homo sapiens Complex Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 SERCA GaMD rep 1 15409 0.21 Amber 20 Amber FF19SB Abigail Teitgen, University of California, San Diego Report
View 1314 Sarcoplasmic/endoplasmic reticulum calcium atpase 2 P16615 None 3W5A None Homo sapiens Complex 2'-deoxyadenosine 5'-triphosphate Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 dATP-SERCA GaMD rep 3 15451 0.21 Amber 20 Amber FF19SB Abigail Teitgen, University of California, San Diego Report
View 1310 Sarcoplasmic/endoplasmic reticulum calcium atpase 2 P16615 None 3W5A None Homo sapiens Complex 2'-deoxyadenosine 5'-triphosphate Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 dATP-SERCA MD 15451 0.15 Amber 20 Amber FF19SB Abigail Teitgen, University of California, San Diego Report
View 1311 Sarcoplasmic/endoplasmic reticulum calcium atpase 2 P16615 None 3W5A None Homo sapiens Complex 2'-deoxyadenosine 5'-triphosphate Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 dATP-SERCA GaMD rep 1 15451 0.11 Amber 20 Amber FF19SB Abigail Teitgen, University of California, San Diego Report
View 1312 Sarcoplasmic/endoplasmic reticulum calcium atpase 2 P16615 None 3W5A None Homo sapiens Complex 2'-deoxyadenosine 5'-triphosphate Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 dATP-SERCA GaMD rep 1 ext 15451 0.10 Amber 20 Amber FF19SB Abigail Teitgen, University of California, San Diego Report
View 1313 Sarcoplasmic/endoplasmic reticulum calcium atpase 2 P16615 None 3W5A None Homo sapiens Complex 2'-deoxyadenosine 5'-triphosphate Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 dATP-SERCA GaMD rep 2 15451 0.21 Amber 20 Amber FF19SB Abigail Teitgen, University of California, San Diego Report
View 1315 Sarcoplasmic/endoplasmic reticulum calcium atpase 2 P16615 None 3W5A None Homo sapiens Complex Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 SERCA MD 15409 0.15 Amber 20 Amber FF19SB Abigail Teitgen, University of California, San Diego Report
View 2057 Consensus or1 - None 8UXY None Homo sapiens Complex L-menthol Consensus or1 ConsOR1-Lig-miniGas 246825 CHSD POPC 0.25 GROMACS 2022 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 2069 Consensus or1 - None 8UXY None Homo sapiens Complex L-menthol Consensus or1 ConsOR1-Lig-miniGas 138797 CHSD POPC 0.50 GROMACS 2022 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 2077 Beta-arrestin-2 P29067 - None 3P2D None Rattus norvegicus Complex Atypical chemokine receptor 3 Beta-arrestin-2 Beta-arrestin-2 Beta arrestin 2 inactivation EtoA 167149 1.50 Acemd 3.0 Charmm 36M Tomasz Stepniewski, IMIM Report
View 2061 Consensus or4 - None 8UYQ None Homo sapiens Complex L-menthol Consensus or4 consOR4 Lig G 215725 CHSD POPC 0.25 GROMACS 2022 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 2062 Or51e2 - None 8F76 Active Homo sapiens Complex Or51e2 Propionic acid OR51E2 C3 miniG 247569 CHSD POPC 0.24 GROMACS 2022 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 1219 Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 L192AM193AS194AR332AG333AG334A 166655 DOPC POPC DOPE CHL1 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View 1220 Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 L192AM193AS194AR332AG333AG334A 166655 DOPC POPC DOPE CHL1 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View 1221 Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 L192AM193AS194AR332AG333AG334A 166655 POPC DOPE CHL1 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View 1222 Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 L192DM193DS194D 166665 DOPC POPC DOPE CHL1 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View 1223 Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 L192DM193DS194D 166665 DOPC POPC DOPE CHL1 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View 1224 Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 L192DM193DS194D 166665 DOPC POPC DOPE CHL1 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View 1225 Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 R332DG333DG334D 166674 DOPC POPC DOPE CHL1 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View 1226 Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 R332DG333DG334D 166674 DOPC POPC DOPE CHL1 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View 1232 Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 WT 166671 DOPC POPC DOPE CHL1 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View 1233 Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 WT 166671 DOPC POPC DOPE CHL1 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View 1234 Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 WT 166671 DOPC POPC CHL1 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View 2039 None NONE None Complex 60 Tocris-0764 Delta opioid receptor_SNC80 4720 0.01 GROMACS 2018.8 CHARMM 36m Feb 2016 Liu Wencheng, Laboratory of Anesthesia and Critical Care Medicine, Translational Neuroscience Center, Department of Anesthesiology, Sichuan University West China Hospital, Sichuan University, Chengdu 610041, China Report
View 2058 Consensus or2 - None 8UY0 None Homo sapiens Apoform Consensus or2 ConsOR2 Apo 74822 CHSD POPC 0.25 GROMACS 2022 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 2059 Consensus or2 - None 8UY0 None Homo sapiens Complex L-menthol Consensus or2 ConsOR2 Lig miniGs 219138 CHSD POPC 0.25 GROMACS 2022 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 2060 Consensus or4 - None 8UYQ None Homo sapiens Apoform Consensus or4 consOR4 Apo 75028 CHSD POPC 0.25 GROMACS 2022 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 2071 Beta-arrestin-2 P29067 None 3P2D None Rattus norvegicus Complex Beta-arrestin-2 beta arrestin 2 ctail inactivation 155064 0.01 Acemd 3.0 Charmm 36M Tomasz Stepniewski, IMIM Report
View 2073 Beta-arrestin-2 P29067 None 3P2D None Rattus norvegicus Complex Beta-arrestin-2 beta arrestin 2 inactivation noctail 167061 1.50 Acemd 3.0 Charmm 36M Tomasz Stepniewski, IMIM Report
View 2074 Beta-arrestin-1 P29066 None 6U1N Active Rattus norvegicus Complex Beta-arrestin-1 membrane-bound beta arrestin 1 impact of pip 189204 DOPC POPC DOPE CHL1 1.50 Acemd 3.3 Charmm 36M Tomasz Stepniewski, IMIM Report
View 2075 Beta-arrestin-1 P29066 None 6U1N Active Rattus norvegicus Complex Beta-arrestin-1 membrane-bound beta arrestin 1 189512 DOPC POPC DOPE SAPI CHL1 1.50 Acemd 3.3 Charmm 36M Tomasz Stepniewski, IMIM Report
View 2076 Beta-arrestin-1 P29066 None 6U1N Active Rattus norvegicus Complex Beta-arrestin-1 membrane-bound beta arrestin 1 189512 DOPC POPC DOPE SAPI CHL1 1.50 Acemd 3.3 Charmm 36M Tomasz Stepniewski, IMIM Report
View 2080 Beta-arrestin-1 P29066 None 6U1N Active Rattus norvegicus Complex Beta-arrestin-1 beta arrestin 1 - loop flexibility in solution 163184 1.50 Acemd 3.3 Charmm 36M Tomasz Stepniewski, IMIM Report
View 2056 Consensus or1 - None 8UXY None Homo sapiens Complex Consensus or1 ConsOR1-Lig 76029 0.50 GROMACS 2022 CHARMM 36m Nagarajan Vaidehi, Beckman Research Institute of the City of Hop Report
View 2017 Pafr - None 8XYD None Homo sapiens Complex Pafr PAFR-LiGaMD 5981 4.96 Amber 20 CHARMM36m CHARMM36m Xinheng He, Shanghai Institute of Materia Medica, Chinese Academy of Science Report
View 2014 Pafr - None 8XYD None Homo sapiens Apoform Pafr PAFR-apo 5002 3.00 Amber 20 CHARMM36m CHARMM36m Xinheng He, Shanghai Institute of Materia Medica, Chinese Academy of Science Report