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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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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 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 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 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 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 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 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 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 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 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 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 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 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 5-hydroxytryptamine receptor 2a 5ht2a_human P28223 5-Hydroxytryptamine receptors A 7WC7 Inactive Homo sapiens Complex Arolac 7WC7_complex 85314 POPC CLR 1.50 ACEMD3 GPUGRID CHARMM c36 Jul 2020 GPCRmd community Report
View 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 Adenosine receptor a2a aa2ar_human P29274 Adenosine receptors A 3EML Inactive Homo sapiens Complex Cholesterol A2a Adenosine receptor & Cholesterol 112357 SDPC DPPC DOPC SM18 DSPC 0.10 ACEMD 3203m CHARMM 36 Ismael Rodriguez Espigares, Universitat Pompeu Fabra Report
View 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 Olfactory receptor 51e2 o51e2_human Q9H255 Olfactory A 8F76 Active Homo sapiens Complex Propionic acid OR51E2 with propionate acid 77789 CHSD POPC 0.00 GROMACS 2021.3 CHARMM 36m David Aranda, IMIM Report
View Olfactory receptor 51e2 o51e2_human Q9H255 Olfactory A 8F76 Active Homo sapiens Complex Propionic acid OR51E2-Q181D with propionate acid 77642 CHSD POPC 0.00 GROMACS 2021.3 CHARMM 36m David Aranda, IMIM Report
View Olfactory receptor 51e2 o51e2_human Q9H255 Olfactory A 8F76 Active Homo sapiens Complex OR51E2 77778 CHSD POPC 0.00 GROMACS 2021.3 CHARMM 36m David Aranda, IMIM Report
View 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 Frizzled-6 gnas2_human fzd6_human P63092 O60353 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 L192AM193AS194AR332AG333AG334A 166655 DOPE POPC CHL1 DOPC 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 L192AM193AS194AR332AG333AG334A 166655 DOPE POPC CHL1 DOPC 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 L192AM193AS194AR332AG333AG334A 166655 POPC CHL1 DOPE 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 L192DM193DS194D 166665 DOPE POPC CHL1 DOPC 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 L192DM193DS194D 166665 DOPE POPC CHL1 DOPC 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 L192DM193DS194D 166665 DOPE POPC CHL1 DOPC 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 R332DG333DG334D 166674 POPC CHL1 DOPE DOPC 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 R332DG333DG334D 166674 POPC CHL1 DOPE DOPC 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 WT 166671 CHL1 POPC DOPE DOPC 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 WT 166671 CHL1 POPC DOPE DOPC 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report
View Beta-arrestin-2 P32121 None 6U1N Active Homo sapiens Apoform Beta-arrestin-2 B-arr2 WT 166671 POPC CHL1 DOPC 1.00 Acemd 3.5 Charmm 36M The GPCR drug discovery lab Team, IMIM-UPF Report