1IM1
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![BU of 1im1 by Molmil](/molmil-images/mine/1im1) | NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1, 20 STRUCTURES | Descriptor: | ALPHA-CONOTOXIN IM1 | Authors: | Rogers, J.P, Luginbuhl, P, Shen, G.S, Mccabe, R.T, Stevens, R.C, Wemmer, D.E. | Deposit date: | 1998-11-18 | Release date: | 1999-06-15 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | NMR solution structure of alpha-conotoxin ImI and comparison to other conotoxins specific for neuronal nicotinic acetylcholine receptors. Biochemistry, 38, 1999
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2N2F
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![BU of 2n2f by Molmil](/molmil-images/mine/2n2f) | Solution NMR structure of Dynorphin 1-13 bound to Kappa Opioid Receptor | Descriptor: | Dynorphin A(1-13) | Authors: | O'Connor, C, White, K, Doncescu, N, Didenko, T, Roth, B.L, Czaplicki, G, Stevens, R.C, Wuthrich, K, Milon, A. | Deposit date: | 2015-05-06 | Release date: | 2015-09-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR structure and dynamics of the agonist dynorphin peptide bound to the human kappa opioid receptor. Proc.Natl.Acad.Sci.USA, 112, 2015
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1C7I
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![BU of 1c7i by Molmil](/molmil-images/mine/1c7i) | THERMOPHYLIC PNB ESTERASE | Descriptor: | CALCIUM ION, PROTEIN (PARA-NITROBENZYL ESTERASE) | Authors: | Spiller, B, Gershenson, A, Arnold, F, Stevens, R. | Deposit date: | 2000-02-21 | Release date: | 2000-03-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A structural view of evolutionary divergence. Proc.Natl.Acad.Sci.USA, 96, 1999
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4NTJ
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![BU of 4ntj by Molmil](/molmil-images/mine/4ntj) | Structure of the human P2Y12 receptor in complex with an antithrombotic drug | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, P2Y purinoceptor 12,Soluble cytochrome b562,P2Y purinoceptor 12, ... | Authors: | Zhang, K, Zhang, J, Gao, Z.-G, Zhang, D, Zhu, L, Han, G.W, Moss, S.M, Paoletta, S, Kiselev, E, Lu, W, Fenalti, G, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR) | Deposit date: | 2013-12-02 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structure of the human P2Y12 receptor in complex with an antithrombotic drug Nature, 509, 2014
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3POY
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![BU of 3poy by Molmil](/molmil-images/mine/3poy) | Crystal Structure of the alpha-Neurexin-1 ectodomain, LNS 2-6 | Descriptor: | Neurexin-1-alpha, beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Miller, M.T, Mileni, M, Comoletti, D, Stevens, R.C, Harel, M, Taylor, P. | Deposit date: | 2010-11-23 | Release date: | 2011-06-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | The crystal structure of the alpha-neurexin-1 extracellular region reveals a hinge point for mediating synaptic adhesion and function. Structure, 19, 2011
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4N4W
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![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
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1QE3
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![BU of 1qe3 by Molmil](/molmil-images/mine/1qe3) | PNB ESTERASE | Descriptor: | PARA-NITROBENZYL ESTERASE, SULFATE ION, ZINC ION | Authors: | Spiller, B, Gershenson, A, Arnold, F, Stevens, R. | Deposit date: | 1999-07-12 | Release date: | 1999-07-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A structural view of evolutionary divergence. Proc.Natl.Acad.Sci.USA, 96, 1999
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4IAR
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![BU of 4iar by Molmil](/molmil-images/mine/4iar) | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target) | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Ergotamine | Authors: | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, 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 basis for molecular recognition at serotonin receptors. Science, 340, 2013
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1F82
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![BU of 1f82 by Molmil](/molmil-images/mine/1f82) | BOTULINUM NEUROTOXIN TYPE B CATALYTIC DOMAIN | Descriptor: | BOTULINUM NEUROTOXIN TYPE B, ZINC ION | Authors: | Hanson, M.A, Stevens, R.C. | Deposit date: | 2000-06-28 | Release date: | 2000-08-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cocrystal structure of synaptobrevin-II bound to botulinum neurotoxin type B at 2.0 A resolution. Nat.Struct.Biol., 7, 2000
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1GAF
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![BU of 1gaf by Molmil](/molmil-images/mine/1gaf) | 48G7 HYBRIDOMA LINE FAB COMPLEXED WITH HAPTEN 5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID | Descriptor: | 5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID, CHIMERIC 48G7 FAB | Authors: | Wedemayer, G.J, Patten, P.A, Stevens, R.C, Schultz, P.G. | Deposit date: | 1996-02-06 | Release date: | 1996-07-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The immunological evolution of catalysis. Science, 271, 1996
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4IAQ
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![BU of 4iaq by Molmil](/molmil-images/mine/4iaq) | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with dihydroergotamine (PSI Community Target) | Descriptor: | Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Dihydroergotamine | Authors: | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR) | Deposit date: | 2012-12-07 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for molecular recognition at serotonin receptors. Science, 340, 2013
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5TUD
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![BU of 5tud by Molmil](/molmil-images/mine/5tud) | Structural Insights into the Extracellular Recognition of the Human Serotonin 2B Receptor by an Antibody | Descriptor: | 5-hydroxytryptamine receptor 2B,Soluble cytochrome b562 chimera, Anti-5-HT2B Fab heavy chain, Anti-5-HT2B Fab light chain, ... | Authors: | Ishchenko, A, Wacker, D, Kapoor, M, Zhang, A, Han, G.W, Basu, S, Boutet, S, James, D, Wang, D, Weierstall, U, Liu, W, Katritch, V, Stevens, R.C, Cherezov, V. | Deposit date: | 2016-11-05 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into the extracellular recognition of the human serotonin 2B receptor by an antibody. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4L6R
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![BU of 4l6r by Molmil](/molmil-images/mine/4l6r) | Structure of the class B human glucagon G protein coupled receptor | Descriptor: | DI(HYDROXYETHYL)ETHER, Soluble cytochrome b562 and Glucagon receptor chimera | Authors: | Siu, F.Y, He, M, de Graaf, C, Han, G.W, Yang, D, Zhang, Z, Zhou, C, Xu, Q, Wacker, D, Joseph, J.S, Liu, W, Lau, J, Cherezov, V, Katritch, V, Wang, M.W, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2013-06-12 | Release date: | 2013-07-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of the human glucagon class B G-protein-coupled receptor. Nature, 499, 2013
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1AXS
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![BU of 1axs by Molmil](/molmil-images/mine/1axs) | MATURE OXY-COPE CATALYTIC ANTIBODY WITH HAPTEN | Descriptor: | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL, CADMIUM ION, OXY-COPE CATALYTIC ANTIBODY | Authors: | Mundorff, E.C, Ulrich, H.D, Stevens, R.C. | Deposit date: | 1997-10-20 | Release date: | 1998-02-04 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The interplay between binding energy and catalysis in the evolution of a catalytic antibody. Nature, 389, 1997
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3OE6
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![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
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5VEX
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![BU of 5vex by Molmil](/molmil-images/mine/5vex) | Structure of the human GLP-1 receptor complex with NNC0640 | Descriptor: | 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, Glucagon-like peptide 1 receptor, Endolysin chimera | Authors: | Song, G, Yang, D, Wang, Y, Graaf, C.D, Zhou, Q, Jiang, S, Liu, K, Cai, X, Dai, A, Lin, G, Liu, D, Wu, F, Wu, Y, Zhao, S, Ye, L, Han, G.W, Lau, J, Wu, B, Hanson, M.A, Liu, Z.-J, Wang, M.-W, Stevens, R.C. | Deposit date: | 2017-04-05 | Release date: | 2017-05-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators. Nature, 546, 2017
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3ODU
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![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
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3OE9
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![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
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3OE8
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![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
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4PAH
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![BU of 4pah by Molmil](/molmil-images/mine/4pah) | |
3PBL
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![BU of 3pbl by Molmil](/molmil-images/mine/3pbl) | Structure of the human dopamine D3 receptor in complex with eticlopride | Descriptor: | 3-chloro-5-ethyl-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide, D(3) dopamine receptor, Lysozyme chimera, ... | Authors: | Chien, E.Y.T, Liu, W, Han, G.W, Katritch, V, Zhao, Q, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-10-20 | Release date: | 2010-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure of the human dopamine d3 receptor in complex with a d2/d3 selective antagonist. Science, 330, 2010
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1TDW
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![BU of 1tdw by Molmil](/molmil-images/mine/1tdw) | Crystal structure of double truncated human phenylalanine hydroxylase BH4-responsive PKU mutant A313T. | Descriptor: | FE (III) ION, Phenylalanine-4-hydroxylase | Authors: | Erlandsen, H, Pey, A.L, Gamez, A, Perez, B, Desviat, L.R, Aguado, C, Koch, R, Surendran, S, Tyring, S, Matalon, R, Scriver, C.R, Ugarte, M, Martinez, A, Stevens, R.C. | Deposit date: | 2004-05-24 | Release date: | 2004-11-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Correction of kinetic and stability defects by tetrahydrobiopterin in phenylketonuria patients with certain phenylalanine hydroxylase mutations. Proc.Natl.Acad.Sci.Usa, 101, 2004
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1TG2
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![BU of 1tg2 by Molmil](/molmil-images/mine/1tg2) | Crystal structure of phenylalanine hydroxylase A313T mutant with 7,8-dihydrobiopterin bound | Descriptor: | 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, FE (III) ION, Phenylalanine-4-hydroxylase | Authors: | Erlandsen, H, Pey, A.L, Gamez, A, Perez, B, Desviat, L.R, Aguado, C, Koch, R, Surendran, S, Tyring, S, Matalon, R, Scriver, C.R, Ugarte, M, Martinez, A, Stevens, R.C. | Deposit date: | 2004-05-28 | Release date: | 2004-11-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Correction of kinetic and stability defects by tetrahydrobiopterin in phenylketonuria patients with certain phenylalanine hydroxylase mutations. Proc.Natl.Acad.Sci.Usa, 101, 2004
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2IDY
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![BU of 2idy by Molmil](/molmil-images/mine/2idy) | NMR Structure of the SARS-CoV non-structural protein nsp3a | Descriptor: | NSP3 | Authors: | Serrano, P, Almeida, M.S, Johnson, M.A, Horst, R, Herrmann, T, Joseph, J, Saikatendu, K, Subramanian, V, Stevens, R.C, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2006-09-15 | Release date: | 2006-12-05 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance structure of the N-terminal domain of nonstructural protein 3 from the severe acute respiratory syndrome coronavirus. J.Virol., 81, 2007
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1A4K
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![BU of 1a4k by Molmil](/molmil-images/mine/1a4k) | DIELS ALDER CATALYTIC ANTIBODY WITH TRANSITION STATE ANALOGUE | Descriptor: | ANTIBODY FAB, CADMIUM ION, [4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO-4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC-1-YLCARBAMOYLOXY]-ACETIC ACID | Authors: | Spiller, B.W, Romesburg, F.E, Schultz, P.G, Stevens, R.C. | Deposit date: | 1998-01-30 | Release date: | 1998-05-13 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Immunological origins of binding and catalysis in a Diels-Alderase antibody. Science, 279, 1998
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