3OE0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3oe0 by Molmil](/molmil-images/mine/3oe0) | Crystal structure of the CXCR4 chemokine receptor in complex with a cyclic peptide antagonist CVX15 | Descriptor: | C-X-C chemokine receptor type 4, Lysozyme Chimera, Polyphemusin analog, ... | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-08-12 | Release date: | 2010-10-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
|
|
3OE9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3oe9 by Molmil](/molmil-images/mine/3oe9) | Crystal structure of the chemokine CXCR4 receptor in complex with a small molecule antagonist IT1t in P1 spacegroup | Descriptor: | (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, Lysozyme Chimera | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-08-12 | Release date: | 2010-10-27 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
|
|
3RZE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rze by Molmil](/molmil-images/mine/3rze) | Structure of the human histamine H1 receptor in complex with doxepin | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine, (3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine, ... | Authors: | Shimamura, T, Han, G.W, Shiroishi, M, Weyand, S, Tsujimoto, H, Winter, G, Katritch, V, Abagyan, R, Cherezov, V, Liu, W, Kobayashi, T, Stevens, R, Iwata, S, GPCR Network (GPCR) | Deposit date: | 2011-05-11 | Release date: | 2011-06-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of the human histamine H1 receptor complex with doxepin. Nature, 475, 2011
|
|
4J5P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4j5p by Molmil](/molmil-images/mine/4j5p) | Crystal Structure of a Covalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase | Descriptor: | (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Otrubova, K, Brown, M, McCormick, M.S, Han, G.W, O'Neal, S.T, Cravatt, B.F, Stevens, R.C, Lichtman, A.H, Boger, D.L. | Deposit date: | 2013-02-08 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational design of Fatty Acid amide hydrolase inhibitors that act by covalently bonding to two active site residues. J.Am.Chem.Soc., 135, 2013
|
|
4H37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h37 by Molmil](/molmil-images/mine/4h37) | Crystal structure of a voltage-gated K+ channel pore domain in a closed state in lipid membranes | Descriptor: | Lmo2059 protein, POTASSIUM ION | Authors: | Santos, J.S, Asmar-Rovira, G.A, Han, G.W, Liu, W, Syeda, R, Cherezov, V, Baker, K.A, Stevens, R.C, Montal, M. | Deposit date: | 2012-09-13 | Release date: | 2012-11-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Crystal Structure of a Voltage-gated K+ Channel Pore Module in a Closed State in Lipid Membranes. J.Biol.Chem., 287, 2012
|
|
4JKV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jkv by Molmil](/molmil-images/mine/4jkv) | Structure of the human smoothened 7TM receptor in complex with an antitumor agent | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, C, Wu, H, Katritch, V, Han, G.W, Huang, X, Liu, W, Siu, F.Y, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2013-03-11 | Release date: | 2013-04-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of the human smoothened receptor bound to an antitumour agent. Nature, 497, 2013
|
|
3OE6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3oe6 by Molmil](/molmil-images/mine/3oe6) | Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule antagonist IT1t in I222 spacegroup | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, ... | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-08-12 | Release date: | 2010-10-27 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
|
|
3OE8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3oe8 by Molmil](/molmil-images/mine/3oe8) | Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule antagonist IT1t in P1 spacegroup | Descriptor: | (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, Lysozyme Chimera | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-08-12 | Release date: | 2010-10-27 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
|
|
4IB4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ib4 by Molmil](/molmil-images/mine/4ib4) | Crystal structure of the chimeric protein of 5-HT2B-BRIL in complex with ergotamine | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, ... | Authors: | Wacker, D, Wang, C, Katritch, V, Han, G.W, Huang, X, Vardy, E, McCorvy, J.D, Jiang, Y, Chu, M, Siu, F.Y, Liu, W, Xu, H.E, Cherezov, V, Roth, B.L, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2012-12-07 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural features for functional selectivity at serotonin receptors. Science, 340, 2013
|
|
4H33
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h33 by Molmil](/molmil-images/mine/4h33) | Crystal structure of a voltage-gated K+ channel pore module in a closed state in lipid membranes, tetragonal crystal form | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Lmo2059 protein, POTASSIUM ION | Authors: | Santos, J.S, Asmar-Rovira, G.A, Han, G.W, Liu, W, Syeda, R, Cherezov, V, Baker, K.A, Stevens, R.C, Montal, M. | Deposit date: | 2012-09-13 | Release date: | 2012-11-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal Structure of a Voltage-gated K+ Channel Pore Module in a Closed State in Lipid Membranes. J.Biol.Chem., 287, 2012
|
|
3PR0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pr0 by Molmil](/molmil-images/mine/3pr0) | Crystal Structure of a Covalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase | Descriptor: | 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Mileni, M, Han, G.W, Boger, D.L, Stevens, R.C. | Deposit date: | 2010-11-29 | Release date: | 2011-11-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Fluoride-mediated capture of a noncovalent bound state of a reversible covalent enzyme inhibitor: X-ray crystallographic analysis of an exceptionally potent alpha-ketoheterocycle inhibitor of fatty acid amide hydrolase. J.Am.Chem.Soc., 133, 2011
|
|
3PPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ppm by Molmil](/molmil-images/mine/3ppm) | Crystal Structure of a Noncovalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase | Descriptor: | 1-DODECANOL, 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one, CHLORIDE ION, ... | Authors: | Mileni, M, Han, G.W, Boger, D.L, Stevens, R.C. | Deposit date: | 2010-11-24 | Release date: | 2011-11-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Fluoride-mediated capture of a noncovalent bound state of a reversible covalent enzyme inhibitor: X-ray crystallographic analysis of an exceptionally potent alpha-ketoheterocycle inhibitor of fatty acid amide hydrolase. J.Am.Chem.Soc., 133, 2011
|
|
3ODU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3odu by Molmil](/molmil-images/mine/3odu) | The 2.5 A structure of the CXCR4 chemokine receptor in complex with small molecule antagonist IT1t | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, ... | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-08-11 | Release date: | 2010-10-27 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
|
|
6LI1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6li1 by Molmil](/molmil-images/mine/6li1) | Crystal structure of GPR52 ligand free form with flavodoxin fusion | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera of G-protein coupled receptor 52 and Flavodoxin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Luo, Z.P, Lin, X, Xu, F, Han, G.W. | Deposit date: | 2019-12-10 | Release date: | 2020-02-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of ligand recognition and self-activation of orphan GPR52. Nature, 579, 2020
|
|
4MBS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mbs by Molmil](/molmil-images/mine/4mbs) | Crystal Structure of the CCR5 Chemokine Receptor | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide, Chimera protein of C-C chemokine receptor type 5 and Rubredoxin, ... | Authors: | Tan, Q, Zhu, Y, Han, G.W, Li, J, Fenalti, G, Liu, H, Cherezov, V, Stevens, R.C, GPCR Network (GPCR), Zhao, Q, Wu, B. | Deposit date: | 2013-08-19 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex. Science, 341, 2013
|
|
4N4W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n4w by Molmil](/molmil-images/mine/4n4w) | Structure of the human smoothened receptor in complex with SANT-1. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine, Cytochrome b(562),Smoothened homolog, ... | Authors: | Wang, C, Wu, H, Han, G.W, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2013-10-08 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs. Nat Commun, 5, 2014
|
|
4OR2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4or2 by Molmil](/molmil-images/mine/4or2) | Human class C G protein-coupled metabotropic glutamate receptor 1 in complex with a negative allosteric modulator | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-fluoro-N-methyl-N-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide, CHOLESTEROL, ... | Authors: | Wu, H, Wang, C, Gregory, K.J, Han, G.W, Cho, H.P, Xia, Y, Niswender, C.M, Katritch, V, Cherezov, V, Conn, P.J, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2014-02-10 | Release date: | 2014-03-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator Science, 344, 2014
|
|
7M8W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m8w by Molmil](/molmil-images/mine/7m8w) | XFEL crystal structure of the prostaglandin D2 receptor CRTH2 in complex with 15R-methyl-PGD2 | Descriptor: | 15R-methyl-prostaglandin D2, CITRATE ANION, Prostaglandin D2 receptor 2, ... | Authors: | Shiriaeva, A, Han, G.W, Cherezov, V. | Deposit date: | 2021-03-30 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Molecular basis for lipid recognition by the prostaglandin D 2 receptor CRTH2. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
4N6H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n6h by Molmil](/molmil-images/mine/4n6h) | 1.8 A Structure of the human delta opioid 7TM receptor (PSI Community Target) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, L(+)-TARTARIC ACID, ... | Authors: | Fenalti, G, Giguere, P.M, Katritch, V, Huang, X.-P, Thompson, A.A, Han, G.W, Cherezov, V, Roth, B.L, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2013-10-12 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular control of delta-opioid receptor signalling. Nature, 506, 2014
|
|