2PNN
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![BU of 2pnn by Molmil](/molmil-images/mine/2pnn) | Crystal Structure of the Ankyrin Repeat Domain of Trpv1 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Transient receptor potential cation channel subfamily V member 1 | Authors: | Jin, X, Gaudet, R. | Deposit date: | 2007-04-24 | Release date: | 2007-07-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Ankyrin Repeats of TRPV1 Bind Multiple Ligands and Modulate Channel Sensitivity. Neuron, 54, 2007
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7M95
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![BU of 7m95 by Molmil](/molmil-images/mine/7m95) | Bovine sigma-2 receptor bound to Z1241145220 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine, CHOLESTEROL, ... | Authors: | Alon, A, Kruse, A.C. | Deposit date: | 2021-03-30 | Release date: | 2021-12-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery. Nature, 600, 2021
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7MFI
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![BU of 7mfi by Molmil](/molmil-images/mine/7mfi) | Bovine sigma-2 receptor bound to cholesterol | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHOLESTEROL, ... | Authors: | Alon, A, Kruse, A.C. | Deposit date: | 2021-04-09 | Release date: | 2021-12-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery. Nature, 600, 2021
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7M94
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![BU of 7m94 by Molmil](/molmil-images/mine/7m94) | Bovine sigma-2 receptor bound to Roluperidone | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Roluperidone, Sigma intracellular receptor 2 | Authors: | Alon, A, Kruse, A.C. | Deposit date: | 2021-03-30 | Release date: | 2021-12-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery. Nature, 600, 2021
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7M93
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![BU of 7m93 by Molmil](/molmil-images/mine/7m93) | Bovine sigma-2 receptor bound to PB28 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PB28, Sigma intracellular receptor 2 | Authors: | Alon, A, Kruse, A.C. | Deposit date: | 2021-03-30 | Release date: | 2021-12-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery. Nature, 600, 2021
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7M96
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![BU of 7m96 by Molmil](/molmil-images/mine/7m96) | Bovine sigma-2 receptor bound to Z4857158944 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one, ... | Authors: | Alon, A, Kruse, A.C. | Deposit date: | 2021-03-30 | Release date: | 2021-12-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery. Nature, 600, 2021
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1NAV
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![BU of 1nav by Molmil](/molmil-images/mine/1nav) | Thyroid Receptor Alpha in complex with an agonist selective for Thyroid Receptor Beta1 | Descriptor: | SULFATE ION, hormone receptor alpha 1, THRA1, ... | Authors: | Ye, L, Li, Y.L, Mellstrom, K, Mellin, C, Bladh, L.G, Koehler, K, Garg, N, Garcia Collazo, A.M, Litten, C, Husman, B, Persson, K, Ljunggren, J, Grover, G, Sleph, P.G, George, R, Malm, J. | Deposit date: | 2002-11-29 | Release date: | 2003-06-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1. J.Med.Chem., 46, 2003
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2GPQ
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![BU of 2gpq by Molmil](/molmil-images/mine/2gpq) | |
3OGB
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![BU of 3ogb by Molmil](/molmil-images/mine/3ogb) | |
4AFT
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![BU of 4aft by Molmil](/molmil-images/mine/4aft) | Aplysia californica AChBP in complex with Varenicline | Descriptor: | SOLUBLE ACETYLCHOLINE RECEPTOR, VARENICLINE | Authors: | Rucktooa, P, Haseler, C.A, vanElke, R, Smit, A.B, Gallagher, T, Sixma, T.K. | Deposit date: | 2012-01-23 | Release date: | 2012-05-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural Characterization of Binding Mode of Smoking Cessation Drugs to Nicotinic Acetylcholine Receptors Through Study of Ligand Complexes with Acetylcholine-Binding Protein. J.Biol.Chem., 287, 2012
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4AC4
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![BU of 4ac4 by Molmil](/molmil-images/mine/4ac4) | CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-18 | Descriptor: | 3-METHOXY-4-PHENOXYBENZOIC ACID, TRANSTHYRETIN | Authors: | Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M. | Deposit date: | 2011-12-13 | Release date: | 2012-12-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites. Plos One, 7, 2012
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1QI8
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![BU of 1qi8 by Molmil](/molmil-images/mine/1qi8) | DEOXYGENATED STRUCTURE OF A DISTAL POCKET HEMOGLOBIN MUTANT | Descriptor: | HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Miele, A.E, Vallone, B, Santanche, S, Travaglini-Allocatelli, C, Bellelli, A, Brunori, M. | Deposit date: | 1999-06-07 | Release date: | 1999-07-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Modulation of ligand binding in engineered human hemoglobin distal pocket. J.Mol.Biol., 290, 1999
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1DJR
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![BU of 1djr by Molmil](/molmil-images/mine/1djr) | HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH M-CARBOXYPHENYL-ALPHA-D-GALACTOSE | Descriptor: | BENZOIC ACID, GLYCEROL, HEAT-LABILE ENTEROTOXIN, ... | Authors: | Minke, W.E, Pickens, J, Merritt, E.A, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 1999-12-03 | Release date: | 2000-06-30 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of m-carboxyphenyl-alpha-D-galactopyranoside complexed to heat-labile enterotoxin at 1.3 A resolution: surprising variations in ligand-binding modes. Acta Crystallogr.,Sect.D, 56, 2000
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3U74
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![BU of 3u74 by Molmil](/molmil-images/mine/3u74) | Crystal structure of stabilized human uPAR mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor | Authors: | Huang, M.D, Xu, X, Yuan, C. | Deposit date: | 2011-10-13 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Crystal structure of the urokinase receptor in a ligand-free form. J.Mol.Biol., 416, 2012
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3CA7
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2FS6
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![BU of 2fs6 by Molmil](/molmil-images/mine/2fs6) | |
1IP0
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![BU of 1ip0 by Molmil](/molmil-images/mine/1ip0) | NMR STRUCTURE OF HUMAN BETACELLULIN-2 | Descriptor: | BETACELLULIN | Authors: | Miura, K, Doura, H, Aizawa, T, Tada, H, Seno, M, Yamada, H, Kawano, K. | Deposit date: | 2001-04-19 | Release date: | 2002-07-31 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of betacellulin, a new member of EGF-family ligands. Biochem.Biophys.Res.Commun., 294, 2002
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4U0E
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![BU of 4u0e by Molmil](/molmil-images/mine/4u0e) | Hexameric HIV-1 CA in complex with PF3450074 | Descriptor: | CHLORIDE ION, Capsid protein p24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE | Authors: | Price, A.J, Jacques, D.A, James, L.C. | Deposit date: | 2014-07-11 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.043 Å) | Cite: | Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly. Plos Pathog., 10, 2014
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1SKJ
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![BU of 1skj by Molmil](/molmil-images/mine/1skj) | COCRYSTAL STRUCTURE OF UREA-SUBSTITUTED PHOSPHOPEPTIDE COMPLEX | Descriptor: | 4-[3-CARBOXYMETHYL-3-(4-PHOSPHONOOXY-BENZYL)-UREIDO]-4-[(3-CYCLOHEXYL-PROPYL)-METHYL-CARBAMOYL]BUTYRIC ACID, PP60 V-SRC TYROSINE KINASE TRANSFORMING PROTEIN | Authors: | Holland, D.R, Rubin, J.R. | Deposit date: | 1997-09-18 | Release date: | 1998-02-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, synthesis, and cocrystal structure of a nonpeptide Src SH2 domain ligand. J.Med.Chem., 40, 1997
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2FR3
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![BU of 2fr3 by Molmil](/molmil-images/mine/2fr3) | |
4U0F
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![BU of 4u0f by Molmil](/molmil-images/mine/4u0f) | Hexameric HIV-1 CA in Complex with BI-2 | Descriptor: | (4S)-4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one, 1,2-ETHANEDIOL, Capsid protein p24 | Authors: | Price, A.J, Jacques, D.A, James, L.C. | Deposit date: | 2014-07-11 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly. Plos Pathog., 10, 2014
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2FS7
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5OVZ
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![BU of 5ovz by Molmil](/molmil-images/mine/5ovz) | High resolution structure of the PBP NocT in complex with nopaline | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid, ... | Authors: | Vigouroux, A, Morera, S. | Deposit date: | 2017-08-30 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host. Plos Pathog., 10, 2014
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5HM3
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![BU of 5hm3 by Molmil](/molmil-images/mine/5hm3) | 2.25 Angstrom Resolution Crystal Structure of Long-chain-fatty-acid-AMP Ligase FadD32 from Mycobacterium tuberculosis in complex with Inhibitor 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine | Descriptor: | 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Minasov, G, Warwrzak, Z, Kuhn, M.L, Shuvalova, L, Flores, K.J, Wilson, D.J, Grimes, K.D, Aldrich, C.C, Anderson, W.A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-15 | Release date: | 2016-08-03 | Last modified: | 2016-09-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of the Essential Mtb FadD32 Enzyme: A Promising Drug Target for Treating Tuberculosis. Acs Infect Dis., 2, 2016
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1J15
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![BU of 1j15 by Molmil](/molmil-images/mine/1j15) | BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99/175/190RT | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | Authors: | Stubbs, M.T. | Deposit date: | 2002-11-30 | Release date: | 2002-12-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity J.MOL.BIOL., 325, 2003
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