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GPCRmd dataset

MD simulation data generated by the GPCRmd community

Class A (Rhodopsin)
Aminergic receptors
5-Hydroxytryptamine receptors
5-HT1A receptor
5-HT1B receptor
4IAQ
Apoform: 5-hydroxytryptamine receptor 1B (ID 85)
4IAR
Complex: 5-hydroxytryptamine receptor 1B in complex with ergotamine (ID 90)
Apoform: 5-hydroxytryptamine receptor 1B (ID 87)
5-HT1D receptor
5-HT1E receptor
5-HT1F receptor
5-HT2A receptor
6WGT
Complex: 6WGT_complex (ID 1175)
7WC7
Complex: 7WC7_complex (ID 1176)
6WHA
Complex: 5-hydroxytryptamine receptor 2a chimera in complex with CEAJEPCUIFNTFN-UHFFFAOYSA-N (ID 1128)
Complex: 5-hydroxytryptamine receptor 2a chimera in complex with RLDFVSFNVOLFEU-UHFFFAOYSA-N (ID 1106)
Complex: 5-hydroxytryptamine receptor 2a chimera in complex with ZURXROHPCVOMGH-UHFFFAOYSA-N (ID 1111)
Complex: 5-hydroxytryptamine receptor 2a chimera in complex with GPZRBKWRRKBOAC-UHFFFAOYSA-N (ID 1107)
Complex: 5-hydroxytryptamine receptor 2a chimera in complex with GPZRBKWRRKBOAC-UHFFFAOYSA-N (ID 1108)
Complex: 5-hydroxytryptamine receptor 2a chimera in complex with RLDFVSFNVOLFEU-UHFFFAOYSA-N (ID 1105)
Complex: 5-hydroxytryptamine receptor 2a chimera in complex with CEAJEPCUIFNTFN-UHFFFAOYSA-N (ID 1109)
Complex: 5-hydroxytryptamine receptor 2a chimera in complex with ZURXROHPCVOMGH-UHFFFAOYSA-N (ID 1110)
5-HT2B receptor
4IB4
Apoform: 5-hydroxytryptamine receptor 2B (ID 92)
Complex: 5-hydroxytryptamine receptor 2B in complex with ergotamine (ID 94)
5TVN
Apoform: 5-HT2B receptor (ID 211)
Apoform: 5-HT2B receptor (ID 215)
Apoform: 5-HT2B receptor (ID 216)
Apoform: name 5-HT2B receptor (ID 217)
Apoform: 5-HT2B receptor (ID 213)
Complex: 5-HT2B receptor in complex with Lysergide (ID 214)
5-HT2C receptor
5-HT4 receptor
5-HT5A receptor
5-HT5B receptor
5-HT6 receptor
5-HT7 receptor
Acetylcholine receptors (muscarinic)
M1 receptor
5CXV
Complex: Muscarinic acetylcholine receptor M1 in complex with Tiotropium (ID 194)
Apoform: Muscarinic acetylcholine receptor M1 (ID 154)
M2 receptor
4MQS
Apoform: Muscarinic acetylcholine receptor M2 (ID 68)
Complex: Muscarinic acetylcholine receptor M2 in complex with iperoxo (ID 69)
3UON
Apoform: Muscarinic acetylcholine receptor M2 (ID 111)
Complex: Muscarinic acetylcholine receptor M2 in complex with QUINUCLIDINYL BENZILATE (ID 112)
4MQT
Apoform: Muscarinic acetylcholine receptor M2 (ID 72)
M3 receptor
4U16
Apoform: Muscarinic acetylcholine receptor M3 (ID 175)
Complex: Muscarinic acetylcholine receptor M3 in complex with Paminereg (ID 176)
4U15
Complex: Muscarinic acetylcholine receptor M3 in complex with Tiotropium (ID 174)
Apoform: Muscarinic acetylcholine receptor M3 (ID 93)
M4 receptor
5DSG
Apoform: Muscarinic acetylcholine receptor M4 (ID 157)
Complex: Muscarinic acetylcholine receptor M4 in complex with Tiotropium (ID 173)
M5 receptor
Adrenoceptors
α1A-adrenoceptor
α1B-adrenoceptor
α1D-adrenoceptor
α2A-adrenoceptor
α2B-adrenoceptor
α2C-adrenoceptor
β1-adrenoceptor
5A8E
Apoform: Beta-1 adrenergic receptor (ID 147)
Complex: Partially thermostabilized Beta-1 adrenergic receptor in complex with XTK (ID 150)
Complex: Beta-1 adrenergic receptor in complex with XTK (ID 149)
Apoform: Partially thermostabilized Beta-1 adrenergic receptor (ID 148)
3ZPQ
Apoform: Partially thermostabilized Beta-1 adrenergic receptor (ID 132)
Complex: Partially thermostabilized Beta-1 adrenergic receptor in complex with 4-(1-Piperazinyl)-1H-indole (ID 134)
Complex: Beta-1 adrenergic receptor in complex with 4-(1-Piperazinyl)-1H-indole (ID 133)
Apoform: Beta-1 adrenergic receptor (ID 131)
4BVN
Apoform: Partially thermostabilized Beta-1 adrenergic receptor (ID 144)
Apoform: Beta-1 adrenergic receptor (ID 143)
Complex: Partially thermostabilized Beta-1 adrenergic receptor (ID 58)
4AMJ
Apoform: Partially thermostabilized Beta-1 adrenergic receptor (ID 142)
Complex: Beta-1 adrenergic receptor (ID 167)
Complex: Partially thermostabilized Beta-1 adrenergic receptor in complex with (S)-Carvedilol (ID 195)
Apoform: Beta-1 adrenergic receptor (ID 141)
2Y03
Apoform: Beta-1 adrenergic receptor (ID 23)
Apoform: Partially thermostabilized Beta-1 adrenergic receptor (ID 24)
Complex: Partially thermostabilized Beta-1 adrenergic receptor in complex with levisoprenaline (ID 26)
Complex: Beta-1 adrenergic receptor in complex with levisoprenaline (ID 25)
2Y02
Apoform: Beta-1 adrenergic receptor (ID 17)
Complex: Partially thermostabilized Beta-1 adrenergic receptor in complex with carmoterol (ID 20)
Complex: Beta-1 adrenergic receptor in complex with carmoterol (ID 19)
Apoform: Partially thermostabilized Beta-1 adrenergic receptor (ID 18)
2Y04
Apoform: Partially thermostabilized Beta-1 adrenergic receptor (ID 28)
Complex: Beta-1 adrenergic receptor in complex with levalbuterol (ID 29)
Complex: Beta-1 adrenergic receptor in complex with levalbuterol (ID 55)
Apoform: Beta-1 adrenergic receptor (ID 27)
4AMI
Complex: Partially thermostabilized Beta-1 adrenergic receptor (ID 140)
Apoform: Partially thermostabilized Beta-1 adrenergic receptor (ID 139)
Apoform: Beta-1 adrenergic receptor (ID 138)
2YCW
Apoform: Partially thermostabilized Beta-1 adrenergic receptor (ID 64)
Apoform: Beta-1 adrenergic receptor (ID 56)
Complex: Beta-1 adrenergic receptor complex with carazolol (ID 57)
3ZPR
Apoform: Partially thermostabilized Beta-1 adrenergic receptor (ID 137)
Apoform: Partially thermostabilized Beta-1 adrenergic receptor (ID 136)
Apoform: Beta-1 adrenergic receptor (ID 135)
2Y00
Apoform: Beta-1 adrenergic receptor (ID 13)
Apoform: Partially thermostabilized Beta-1 adrenergic receptor (ID 14)
Complex: Beta-1 adrenergic receptor in complex with R-dobutamine (ID 15)
Complex: Partially thermostabilized Beta-1 adrenergic receptor in complex with (R)-dobutamine (ID 16)
β2-adrenoceptor
2RH1
Apoform: Beta-2 adrenergic receptor (ID 11)
4LDE
Complex: Beta-2 adrenergic receptor in complex with 8-[(1r)-2-{[1,1-Dimethyl-2-(2-Methylphenyl)ethyl]amino... (ID 121)
Apoform: Beta-2 adrenergic receptor (ID 113)
3NY8
Complex: Beta-2 adrenergic receptor in complex with ICI-118551 (ID 123)
Apoform: Beta-2 adrenergic receptor (ID 88)
3NYA
Complex: Beta-2 adrenergic receptor in complex with (-)-Alprenolol (ID 124)
Apoform: Beta-2 adrenergic receptor (ID 100)
4LDL
Apoform: Beta-2 adrenergic receptor (ID 114)
Complex: Beta-2 adrenergic receptor in complex with CHEMBL1160696 (ID 115)
4LDO
Apoform: Beta-2 adrenergic receptor (ID 116)
Complex: Beta-2 adrenergic receptor in complex with epinephrine (ID 117)
5JQH
Apoform: Beta-2 adrenergic receptor (ID 159)
Complex: Beta-2 adrenergic receptor in complex with (S)-carozol (ID 160)
3NY9
Apoform: Beta-2 adrenergic receptor (ID 96)
Complex: Beta-2 adrenergic receptor in complex with CHEMBL1233771 (ID 99)
3PDS
Apoform: Beta-2 adrenergic receptor (ID 107)
4QKX
Apoform: Beta-2 adrenergic receptor (ID 82)
3D4S
Apoform: Beta-2 adrenergic receptor (ID 65)
Complex: Beta-2 adrenergic receptor in complex with Aquanil (ID 83)
β3-adrenoceptor
Dopamine receptors
D1 receptor
D2 receptor
D3 receptor
3PBL
Complex: D(3) dopamine receptor in complex with Eticlopride (ID 106)
Apoform: D(3) dopamine receptor (ID 105)
D4 receptor
D5 receptor
Histamine receptors
H1 receptor
3RZE
Apoform: Histamine H1 receptor (ID 108)
Complex: Histamine H1 receptor in complex with doxepin (ID 109)
Complex: Histamine H1 receptor in complex with Z-doxepin (ID 126)
H2 receptor
H3 receptor
H4 receptor
Trace amine receptors
Peptide receptors
Angiotensin receptors
AT1 receptor
4ZUD
Apoform: Type-1 angiotensin II receptor (ID 189)
Complex: Type-1 angiotensin II receptor with olmesartan (ID 120)
Complex: Type-1 angiotensin II receptor (ID 146)
Complex: Type-1 angiotensin II receptor in complex with olmesartan (ID 190)
4YAY
Apoform: Type-1 angiotensin II receptor (ID 166)
6DO1
Complex: angiotensin II type 1 receptor (ID 218)
Complex: angiotensin II type 1 receptor incomplex with TRV023 (ID 220)
Complex: angiotensin II type 1 receptor in complex with modified ANG II (ID 219)
AT2 receptor
Apelin receptors
Bombesin receptors
Bradykinin receptors
Cholecystokinin receptors
Complement peptide receptors
Endothelin receptors
ETA receptor
ETB receptor
5GLH
Apoform: Endothelin B receptor (ID 158)
Complex: Endothelin B receptor in complex with Endothelin-1 (ID 168)
Formylpeptide receptors
Galanin receptors
Ghrelin receptors
Gonadotrophin-releasing hormone receptors
Kisspeptin receptors
Melanin-concentrating hormone
Melanocortin receptors
Motilin receptors
Neuromedin U receptors
Neuropeptide FF/neuropeptide AF receptors
Neuropeptide S receptors
Neuropeptide W/neuropeptide B receptors
Neuropeptide Y receptors
Neurotensin receptors
NTS1 receptor
4XEE
Apoform: Neurotensin receptor type 1 (ID 177)
Complex: Neurotensin receptor type 1 in complex with Neurotensin (ID 178)
4GRV
Apoform: Neurotensin receptor type 1 (ID 66)
Complex: Neurotensin receptor type 1 in complex with neurotensin (ID 71)
NTS2 receptor
Opioid receptors
δ receptor
4N6H
Apoform: Delta-type opioid receptor (ID 73)
Complex: Delta-type opioid receptor in complex with Naltrindole (ID 145)
4RWD
Apoform: Delta-type opioid receptor (ID 84)
κ receptor
4DJH
Apoform: Kappa-type opioid receptor (ID 59)
Complex: Kappa-type opioid receptor in complex with JDTic (ID 60)
μ receptor
5C1M
Apoform: Mu-type opioid receptor (ID 151)
Complex: Mu-type opioid receptor in complex with BU72 (ID 169)
4DKL
Apoform: Mu-type opioid receptor (ID 61)
NOP receptor
5DHH
Apoform: Nociceptin receptor (ID 155)
5DHG
Apoform: Nociceptin receptor (ID 156)
4EA3
Apoform: Nociceptin receptor (ID 62)
Complex: Nociceptin receptor in complex with 1-benzyl-N-[3-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-y... (ID 70)
Orexin receptors
OX1 receptor
4ZJ8
Apoform: Orexin receptor type 1 (ID 186)
Complex: Orexin receptor type 1 in complex with suvorexant (ID 187)
4ZJC
Complex: Orexin receptor type 1 in complex with sb-674042 (ID 188)
OX2 receptor
4S0V
Apoform: Orexin receptor type 2 (ID 91)
Complex: Orexin receptor type 2 in complex with Suvorexant (ID 172)
Peptide P518 receptors
Prolactin-releasing peptide receptors
Proteinase-activated receptors
PAR1
3VW7
Complex: Proteinase-activated receptor 1 in complex with Vorapaxar (ID 130)
Apoform: Proteinase-activated receptor 1 (ID 128)
Complex: Proteinase-activated receptor 1 (ID 129)
PAR2
PAR3
PAR4
Relaxin family peptide receptors
Somatostatin receptors
Tachykinin receptors
Thyrotropin-releasing hormone receptors
Urotensin receptors
Vasopressin and oxytocin receptors
Protein receptors
Chemerin receptor
Chemokine receptors
CCR1
CCR2
CCR3
CCR4
CCR5
4MBS
Apoform: C-C chemokine receptor type 5 (ID 118)
Complex: C-C chemokine receptor type 5 in complex with maravirocum (ID 67)
Complex: C-C chemokine receptor type 5 in complex with maravirocum (ID 119)
CCR6
CCR7
CCR8
CCR9
CCR10
CXCR1
CXCR2
CXCR3
CXCR4
4RWS
Apoform: C-X-C chemokine receptor type 4 (ID 98)
Complex: C-X-C chemokine receptor type 4 in complex with vMIP-II W5C mutant. (ID 89)
Complex: C-X-C chemokine receptor type 4 in complex with vMIP-II W5C mutant. (ID 86)
3ODU
Apoform: C-X-C chemokine receptor type 4 (ID 101)
Complex: C-X-C chemokine receptor type 4 in complex with 1t (ID 103)
Complex: C-X-C chemokine receptor type 4 in complex with IT1t (ID 102)
3OE0
Apoform: C-X-C chemokine receptor type 4 (ID 104)
CXCR5
CXCR6
CX3CR1
XCR1
ACKR1
ACKR2
ACKR3
ACKR4
CCRL2
Glycoprotein hormone receptors
Prokineticin receptors
Lipid receptors
Free fatty acid receptors
FFA1 receptor
4PHU
Apoform: Free fatty acid receptor 1 (ID 75)
Complex: Free fatty acid receptor 1 in complex with TAK-875 (ID 76)
FFA2 receptor
FFA3 receptor
FFA4 receptor
GPR42
Leukotriene receptors
Lysophospholipid (LPA) receptors
LPA1 receptor
4Z35
Apoform: Lysophosphatidic acid receptor 1 (ID 184)
4Z34
Apoform: Lysophosphatidic acid receptor 1 (ID 171)
Complex: Lysophosphatidic acid receptor 1 in complex with ono9780307 (ID 183)
4Z36
Complex: Lysophosphatidic acid receptor 1 in complex withi ono-3080573 (ID 185)
LPA2 receptor
LPA3 receptor
LPA4 receptor
LPA5 receptor
LPA6 receptor
Lysophospholipid (S1P) receptors
S1P1 receptor
3V2Y
Complex: Sphingosine 1-phosphate receptor 1 in complex with W146 (ID 127)
Apoform: Sphingosine 1-phosphate receptor 1 (ID 63)
S1P2 receptor
S1P3 receptor
S1P4 receptor
S1P5 receptor
Cannabinoid receptors
CB1 receptor
5U09
Apoform: Cannabinoid receptor 1 (ID 163)
Complex: Cannabinoid receptor 1 in complex with taranabant (ID 22)
Complex: Cannabinoid receptor 1 in complex with Taranabant (ID 164)
5TGZ
Apoform: Cannabinoid receptor 1 (ID 162)
CB2 receptor
GPR18, GPR55 and GPR119
Platelet-activating factor receptors
Prostanoid receptors
Melatonin receptors
Nucleotide receptors
Adenosine receptors
A1 receptor
5UEN
Apoform: Adenosine receptor A1 (ID 21)
Apoform: Adenosine receptor A1 (ID 165)
A2A receptor
3RFM
Apoform: Adenosine receptor A2a (ID 37)
Complex: Adenosine receptor A2a in complex with caffeine (ID 38)
5IU4
Apoform: Adenosine receptor A2a (ID 49)
Complex: Adenosine receptor A2a in complex with ZM241385 (ID 50)
2YDO
Apoform: Adenosine receptor A2a (ID 30)
Complex: Adenosine receptor A2a in complex with adenosine (ID 31)
3REY
Apoform: Adenosine receptor A2a (ID 35)
Complex: Adenosine receptor A2a in complex with xanthine amine congener (ID 36)
5IU7
Apoform: Adenosine receptor A2a (ID 51)
4UHR
Complex: Adenosine receptor A2a in complex CGS-21680 (ID 46)
Apoform: Adenosine receptor A2a (ID 45)
5G53
Complex: Adenosine receptor A2a in complex with N-ethyl-5'-carboxamido adenosine (ID 48)
Apoform: Adenosine receptor A2a (ID 47)
3UZA
Apoform: Adenosine receptor A2a (ID 39)
Complex: Adenosine receptor A2a in complex with 6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine (ID 40)
3QAK
Apoform: Adenosine receptor A2a (ID 34)
3UZC
Apoform: Adenosine receptor A2a (ID 41)
Complex: Adenosine receptor A2a in complex with 4-(3-Amino-5-phenyl-1,2,4-triazine-6-yl)-2-chlorophenol (ID 42)
5IU8
Apoform: Adenosine receptor A2a (ID 52)
5IUA
Apoform: Adenosine receptor A2a (ID 53)
4EIY
Apoform: Adenosine receptor A2a (ID 43)
Complex: Adenosine receptor A2a in complex with ZM241385 (ID 44)
2YDV
Apoform: Adenosine receptor A2a (ID 32)
Complex: Adenosine receptor A2a in complex with NECA (ID 33)
5IUB
Apoform: Adenosine receptor A2a (ID 54)
5UIG
Apoform: adenosine receptor a2a (apoform) (ID 773)
A2B receptor
A3 receptor
P2Y receptors
P2Y1 receptor
4XNV
Apoform: P2Y purinoceptor 1 (ID 179)
Complex: P2Y purinoceptor 1 in complex with BPTU (ID 207)
4XNW
Complex: P2Y purinoceptor 1 in complex with mrs-2500 (ID 181)
Complex: P2Y purinoceptor 1 in complex with mrs-2500 (ID 182)
Apoform: P2Y purinoceptor 1 (ID 180)
P2Y2 receptor
P2Y4 receptor
P2Y6 receptor
P2Y11 receptor
P2Y12 receptor
4PY0
Apoform: P2Y purinoceptor 12 (ID 79)
Complex: P2Y purinoceptor 12 in complex with 2-Mesatp (ID 80)
4PXZ
Apoform: P2Y purinoceptor 12 (ID 77)
Complex: P2Y purinoceptor 12 in complex with Methylthio-adenosine diphosphate (ID 78)
P2Y13 receptor
P2Y14 receptor
Steroid receptors
Alicarboxylic acid receptors
Sensory receptors
Opsins
Rhodopsin
1U19
Apoform: Rhodopsin (ID 12)
3DQB
Apoform: Rhodopsin (ID 122)
3PQR
Apoform: Rhodopsin (ID 125)
5DYS
Apoform: rhodopsin (apoform) (ID 872)
OPN3
OPN4
OPN5
OPN1SW
OPN1MW
OPN1LW
Other
TMTOPS2
Parapinopsin
CI-OPSIN1
OPN7B
TMT
AMPHIOP1
OPN5-like
AND_008710
Olfactory receptors
Olfactory
Olfactory receptor 1A1
Olfactory receptor 1G1
Olfactory receptor 2T11
Olfactory receptor 51A2
Olfactory receptor 51A4
Olfactory receptor 51A7
Olfactory receptor 51B2
Olfactory receptor 51B4
Olfactory receptor 51B5
Olfactory receptor 51B6
Olfactory receptor 51D1
Olfactory receptor 51E1
Olfactory receptor 51E2
8F76
Complex: OR51E2 (ID 1244)
Complex: OR51E2-Q181D with propionate acid (ID 1246)
Complex: OR51E2 with propionate acid (ID 1245)
Olfactory receptor 51F1
Olfactory receptor 51F2
Olfactory receptor 51G1
Olfactory receptor 51G2
Olfactory receptor 51I1
Olfactory receptor 51I2
Olfactory receptor 51J1
Olfactory receptor 51L1
Olfactory receptor 51M1
Olfactory receptor 51Q1
Olfactory receptor 51S1
Olfactory receptor 51T1
Olfactory receptor 51V1
Orphan receptors
Class A orphans
GPR3
GPR4
GPR6
GPR12
GPR15
GPR17
GPR19
GPR20
GPR21
GPR22
GPR25
GPR26
GPR27
GPR31
GPR32
GPR33
GPR34
GPR35
GPR37
GPR37L1
GPR39
GPR45
GPR50
GPR52
GPR61
GPR62
GPR63
GPR65
GPR68
GPR75
GPR78
GPR79
GPR82
GPR83
GPR84
GPR85
GPR87
GPR88
GPR101
GPR132
GPR135
GPR139
GPR141
GPR142
GPR146
GPR148
GPR149
GPR150
GPR151
GPR152
GPR153
GPR160
GPR161
GPR162
GPR171
GPR173
GPR174
GPR176
GPR182
GPR183
7TUZ
Apoform: gpr183_apo (ID 1166)
LGR4
LGR5
LGR6
MAS1
MAS1L
MRGPRD
MRGPRE
MRGPRF
MRGPRG
MRGPRX1
MRGPRX2
MRGPRX3
MRGPRX4
P2RY8
P2RY10
TAAR2
TAAR3
TAAR4P
TAAR5
TAAR6
TAAR8
TAAR9
Other
Unclassified
US28
4XT1
Apoform: G-protein coupled receptor homolog US28 (ID 170)
BILF1
Class B1 (Secretin)
Peptide receptors
Calcitonin receptors
Corticotropin-releasing factor receptors
CRF1 receptor
4K5Y
Apoform: Corticotropin-releasing factor receptor 1 (ID 95)
Complex: Corticotropin-releasing factor receptor 1 in complex with CP-376395 (ID 97)
CRF2 receptor
Glucagon receptor family
GHRH receptor
GIP receptor
GLP-1 receptor
5NX2
Complex: Glucagon-like peptide 1 (GLP-1) receptor in complex with truncated peptide agonist (ID 1065)
6KJV
Complex: glucagon-like peptide 1 receptor in complex with MYZIDYJMNWEJMC-QHCPKHFHSA-N (ID 1039)
5VEW
Complex: glucagon-like peptide 1 receptor in complex with MYZIDYJMNWEJMC-QHCPKHFHSA-N (ID 699)
6KK1
Complex: glucagon-like peptide 1 receptor in complex with MYZIDYJMNWEJMC-QHCPKHFHSA-N (ID 705)
6KK7
Complex: glucagon-like peptide 1 receptor in complex with MYZIDYJMNWEJMC-QHCPKHFHSA-N (ID 877)
5VEX
Complex: glucagon-like peptide 1 receptor in complex with PPTKULJUDJWTSA-UHFFFAOYSA-N (ID 711)
GLP-2 receptor
glucagon receptor
4L6R
Apoform: Glucagon receptor (ID 110)
secretin receptor
Parathyroid hormone receptors
PTH1 receptor
6NBF
Complex: Parathyroid hormone receptor in complex with long-acting parathyroid hormone analog, mutant ML644-7 (ID 234)
Complex: Parathyroid hormone receptor in complex with parathyroid hormone analog, mutant ML643-36 (ID 238)
Complex: Parathyroid hormone receptor in complex with parathyroid hormone analog (ID 247)
Complex: Parathyroid hormone receptor in complex with parathyroid hormone analog, mutant ML643-73 (ID 237)
PTH2 receptor
VIP and PACAP receptors
Class B2 (Adhesion)
Class C (Glutamate)
Ion receptors
Amino acid receptors
GABAB receptors
Metabotropic glutamate receptors
mGlu1 receptor
4OR2
Apoform: Metabotropic glutamate receptor 1 (ID 81)
mGlu2 receptor
mGlu3 receptor
mGlu4 receptor
mGlu5 receptor
5CGC
Apoform: Metabotropic glutamate receptor 5 (ID 152)
5CGD
Apoform: Metabotropic glutamate receptor 5 (ID 153)
Complex: Metabotropic glutamate receptor 5 in complex with HTL14242 (ID 193)
4OO9
Apoform: Metabotropic glutamate receptor 5 (ID 74)
mGlu6 receptor
mGlu7 receptor
mGlu8 receptor
Sensory receptors
Orphan receptors
Class D1 (Ste2-like fungal pheromone)
Class F (Frizzled)
Protein receptors
Frizzled
FZD1
FZD2
FZD3
FZD4
FZD5
FZD6
FZD7
FZD8
FZD9
FZD10
SMO
5L7I
Complex: Smoothened homolog in complex with Vismodegib (ID 192)
Apoform: Smoothened homolog (ID 191)
5L7D
Apoform: Smoothened homolog (ID 161)
Class T (Taste 2)
Other GPCRs
265

Individual contributions

MD simulation data generated by individual contributors

Class A (Rhodopsin)
Aminergic receptors
5-Hydroxytryptamine receptors
5-HT1A receptor
5-HT1B receptor
5-HT1D receptor
5-HT1E receptor
5-HT1F receptor
5-HT2A receptor
6WHA
Complex: HTR2A in complex with mini-Galpha-q protein (ID 1214) - Nagarajan Vaidehi, Beckman Research Institute of the City of Hop
5-HT2B receptor
5-HT2C receptor
5-HT4 receptor
5-HT5A receptor
5-HT5B receptor
5-HT6 receptor
5-HT7 receptor
Acetylcholine receptors (muscarinic)
M1 receptor
M2 receptor
5ZKC
Apoform: M2 muscarinic acetylcholine receptor (ID 1121) - Brian Medel, IMIM
M3 receptor
5ZHP
Apoform: M3 muscarinic acetylcholine receptor (ID 1116) - Brian Medel, IMIM
M4 receptor
M5 receptor
Adrenoceptors
α1A-adrenoceptor
α1B-adrenoceptor
α1D-adrenoceptor
α2A-adrenoceptor
α2B-adrenoceptor
α2C-adrenoceptor
β1-adrenoceptor
β2-adrenoceptor
2R4R
Complex: Beta 2 Adrenergic Receptor & Carazolol (ID 6) - GPCR drug discovery group (Pompeu Fabra University)
Complex: Beta 2 adrenergic receptor and carazolol (ID 10) - GPCR drug discovery group (Pompeu Fabra University)
Complex: Beta 2 adrenergic receptor and isoproterenol (ID 9) - GPCR drug discovery group (Pompeu Fabra University)
3SN6
Complex: Beta2 adrenergic receptor in complex with Gs protein (ID 1209) - Nagarajan Vaidehi, Beckman Research Institute of the City of Hop
Complex: Triple-mutant beta2 adrenergic receptor in complex with Gs protein (ID 1217) - Nagarajan Vaidehi, Beckman Research Institute of the City of Hop
Complex: Triple-mutant beta2 adrenergic receptor in complex with Gs protein (ID 1218) - Nagarajan Vaidehi, Beckman Research Institute of the City of Hop
6E67
Complex: B2AR-ICL3 (ID 1247) - Nagarajan Vaidehi, Beckman Research Institute of the City of Hop
β3-adrenoceptor
Dopamine receptors
Histamine receptors
Trace amine receptors
Peptide receptors
Angiotensin receptors
Apelin receptors
Bombesin receptors
Bradykinin receptors
Cholecystokinin receptors
Complement peptide receptors
Endothelin receptors
Formylpeptide receptors
Galanin receptors
Ghrelin receptors
Gonadotrophin-releasing hormone receptors
Kisspeptin receptors
Melanin-concentrating hormone
Melanocortin receptors
Motilin receptors
Neuromedin U receptors
Neuropeptide FF/neuropeptide AF receptors
Neuropeptide S receptors
Neuropeptide W/neuropeptide B receptors
Neuropeptide Y receptors
Neurotensin receptors
NTS1 receptor
XXXX
Apoform: CaseStudy - FullAgonist (ID 1237) - Brian Medel, IMIM
Apoform: CaseStudy APO (ID 1236) - Brian Medel, IMIM
Complex: CaseStudy - InserveAgonist (ID 1238) - Brian Medel, IMIM
4BWB
Complex: Evolved Agonist-bound Neurotensin Receptor 1 - CASE STUDY 4 (ID 1753) - Brian Medel, IMIM
NTS2 receptor
Opioid receptors
δ receptor
4N6H
Complex: Delta Opioid with Naltrindole (ID 4) - GPCR drug discovery group (Pompeu Fabra University)
Complex: delta opioid receptor (human) (ID 8) - GPCR drug discovery group (Pompeu Fabra University)
κ receptor
μ receptor
5C1M
Complex: Active mu-opioid receptor bound to the agonist morphine (ID 199) - Marta Filizola, Icahn School of Medicine at Mout Sinai
Complex: Mu-type opioid receptor bound to Oliceridine (ID 201) - Marta Filizola, Icahn School of Medicine at Mout Sinai
NOP receptor
Orexin receptors
Peptide P518 receptors
Prolactin-releasing peptide receptors
Proteinase-activated receptors
Relaxin family peptide receptors
Somatostatin receptors
Tachykinin receptors
Thyrotropin-releasing hormone receptors
Urotensin receptors
Vasopressin and oxytocin receptors
Protein receptors
Chemerin receptor
Chemokine receptors
CCR1
CCR2
CCR3
CCR4
CCR5
6AKY
Apoform: Chemokine Receptor CCR5 (ID 1119) - Brian Medel, IMIM
CCR6
CCR7
CCR8
CCR9
CCR10
CXCR1
CXCR2
CXCR3
CXCR4
CXCR5
CXCR6
CX3CR1
XCR1
ACKR1
ACKR2
ACKR3
ACKR4
CCRL2
Glycoprotein hormone receptors
Prokineticin receptors
Lipid receptors
Melatonin receptors
Nucleotide receptors
Adenosine receptors
A1 receptor
A2A receptor
3EML
Complex: A2a Adenosine receptor & Cholesterol (ID 7) - GPCR drug discovery group (Pompeu Fabra University)
6GDG
Complex: Adenosine A2A receptor in complex with miniGs protein (ID 1215) - Nagarajan Vaidehi, Beckman Research Institute of the City of Hop
5N2R
Apoform: A2A adenosine receptor A2AR-StaR2-bRIL (ID 1112) - Brian Medel, IMIM
A2B receptor
A3 receptor
P2Y receptors
Steroid receptors
Alicarboxylic acid receptors
Sensory receptors
Opsins
Rhodopsin
4J4Q
Apoform: active conformation of GPCR opsin stabilized by octylglucoside (ID 197) - George Khelashvili, Weill Cornell Medical College
OPN3
OPN4
OPN5
OPN1SW
OPN1MW
OPN1LW
Other
TMTOPS2
Parapinopsin
CI-OPSIN1
OPN7B
TMT
AMPHIOP1
OPN5-like
AND_008710
Olfactory receptors
Orphan receptors
Other
Class B1 (Secretin)
Class B2 (Adhesion)
Class C (Glutamate)
Class D1 (Ste2-like fungal pheromone)
Class F (Frizzled)
Protein receptors
Frizzled
FZD1
FZD2
FZD3
FZD4
6BD4
Apoform: human apo-Frizzled4 receptor (ID 196) - Schulte lab, Karolinska Institutet
FZD5
Homo
Apoform: FZD5 (G180-C539) C277A (ID 1264) - Magdalena Scharf, Karolinska Institute
Apoform: FZD5 (G180-C539) G422A (ID 1265) - Magdalena Scharf, Karolinska Institute
Apoform: FZD5 (G180-C539) L419A (ID 1266) - Magdalena Scharf, Karolinska Institute
Apoform: FZD5 (G180-C539) R449A (ID 1262) - Magdalena Scharf, Karolinska Institute
Apoform: FZD5 (G180-C539) W520A (ID 1263) - Magdalena Scharf, Karolinska Institute
Apoform: FZD5 (G180-C539) Y278A (ID 1267) - Magdalena Scharf, Karolinska Institute
Apoform: FZD5 (G180-C539) Y470A (ID 1268) - Magdalena Scharf, Karolinska Institute
Apoform: FZD5 (G180-C539) wt (ID 1260) - Magdalena Scharf, Karolinska Institute
FZD6
HOMO
Apoform: Frizzled-6 (ID 242) - Schulte lab, Karolinska Institutet
Apoform: Frizzled-6 (ID 243) - Schulte lab, Karolinska Institutet
Apoform: Frizzled-6 modeled from human Smoothened receptor (ID 241) - Schulte lab, Karolinska Institutet
Complex: Frizzled-6 in complex wih miniGs/i (ID 244) - Schulte lab, Karolinska Institutet
Complex: active-like FZD6 SAG1.3-bound (ID 205) - Schulte lab, Karolinska Institutet
Complex: inactive FZD6 bound to Smoothened agonist (ID 202) - Schulte lab, Karolinska Institutet
FZD7
FZD8
FZD9
FZD10
SMO
4QIN
Apoform: human smoothened receptor (ID 200) - Schulte lab, Karolinska Institutet
Apoform: human smoothened receptor (ID 198) - Schulte lab, Karolinska Institutet
Complex: human smoothened receptor in complex with SAG (ID 203) - Schulte lab, Karolinska Institutet
Complex: human smoothened receptor in complex with SAG (ID 204) - Schulte lab, Karolinska Institutet
6OT0
Apoform: human Smoothened receptor (ID 239) - Schulte lab, Karolinska Institutet
Apoform: uman Smoothened receptor (ID 240) - Schulte lab, Karolinska Institutet
Class T (Taste 2)
Other GPCRs

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