3OAP
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![BU of 3oap by Molmil](/molmil-images/mine/3oap) | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 9-cis retinoic acid and the coactivator peptide GRIP-1 | Descriptor: | (9cis)-retinoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Xia, G, Smith, C.D, Muccio, D.D. | Deposit date: | 2010-08-05 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure, Energetics and Dynamics of Binding Coactivator Peptide to Human Retinoid X Receptor Alpha Ligand Binding Domain Complex with 9-cis-Retinoic Acid. Biochemistry, 50, 2011
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6EW8
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6PRR
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![BU of 6prr by Molmil](/molmil-images/mine/6prr) | The crystal structure of 3-methylaminobenzoate-bound CYP199A4 | Descriptor: | 3-(methylamino)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | Deposit date: | 2019-07-11 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions. J.Inorg.Biochem., 203, 2019
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3CPO
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![BU of 3cpo by Molmil](/molmil-images/mine/3cpo) | Crystal structure of ketosteroid isomerase D40N with bound 2-fluorophenol | Descriptor: | 2-fluorophenol, Delta(5)-3-ketosteroid isomerase | Authors: | Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G. | Deposit date: | 2008-03-31 | Release date: | 2008-09-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole J.Am.Chem.Soc., 130, 2008
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6PQ6
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![BU of 6pq6 by Molmil](/molmil-images/mine/6pq6) | The crystal structure of 3-methoxybenzoate-bound CYP199A4 | Descriptor: | 3-methoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Podgorski, M.N, Bell, S.G, Bruning, J.B. | Deposit date: | 2019-07-08 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.658 Å) | Cite: | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions. J.Inorg.Biochem., 203, 2019
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6PQS
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![BU of 6pqs by Molmil](/molmil-images/mine/6pqs) | The crystal structure of 4-methylbenzoate-bound CYP199A4 | Descriptor: | 4-METHYLBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ... | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | Deposit date: | 2019-07-10 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions. J.Inorg.Biochem., 203, 2019
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6PRS
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![BU of 6prs by Molmil](/molmil-images/mine/6prs) | The crystal structure of 3-ethoxybenzoate-bound CYP199A4 | Descriptor: | 3-ethoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | Deposit date: | 2019-07-11 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.373 Å) | Cite: | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions. J.Inorg.Biochem., 203, 2019
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3SQ9
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![BU of 3sq9 by Molmil](/molmil-images/mine/3sq9) | Crystal Structures of the Ligand Binding Domain of a Pentameric Alpha7 Nicotinic Receptor Chimera | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuronal acetylcholine receptor subunit alpha-7, ... | Authors: | Li, S.-X, Huang, S, Bren, N, Noridomi, K, Dellisanti, C, Sine, S, Chen, L. | Deposit date: | 2011-07-05 | Release date: | 2011-09-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Ligand-binding domain of an alpha 7-nicotinic receptor chimera and its complex with agonist. Nat.Neurosci., 14, 2011
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6PQD
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![BU of 6pqd by Molmil](/molmil-images/mine/6pqd) | The crystal structure of 3-methylthiobenzoate-bound CYP199A4 | Descriptor: | 3-(methylsulfanyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | Deposit date: | 2019-07-09 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions. J.Inorg.Biochem., 203, 2019
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6PQW
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![BU of 6pqw by Molmil](/molmil-images/mine/6pqw) | The crystal structure of 3-methylbenzoate-bound CYP199A4 | Descriptor: | 3-methylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | Deposit date: | 2019-07-10 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.679 Å) | Cite: | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions. J.Inorg.Biochem., 203, 2019
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3D32
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![BU of 3d32 by Molmil](/molmil-images/mine/3d32) | Complex of GABA(A) receptor-associated protein (GABARAP) with a synthetic peptide | Descriptor: | CHLORIDE ION, Gamma-aminobutyric acid receptor-associated protein, K1 peptide, ... | Authors: | Weiergraeber, O.H, Stangler, T, Willbold, D. | Deposit date: | 2008-05-09 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Ligand Binding Mode of GABA(A) Receptor-Associated Protein. J.Mol.Biol., 381, 2008
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2R30
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8DYB
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1CBV
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![BU of 1cbv by Molmil](/molmil-images/mine/1cbv) | AN AUTOANTIBODY TO SINGLE-STRANDED DNA: COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF THE UNLIGANDED FAB AND A DEOXYNUCLEOTIDE-FAB COMPLEX | Descriptor: | DNA (5'-D(*TP*TP*T)-3'), PROTEIN (FAB (BV04-01) AUTOANTIBODY-HEAVY CHAIN), PROTEIN (FAB (BV04-01) AUTOANTIBODY-LIGHT CHAIN) | Authors: | Herron, J.N, He, X.M, Ballard, D.W, Blier, P.R, Pace, P.E, Bothwell, A.L.M, Voss Junior, E.W, Edmundson, A.B. | Deposit date: | 1993-03-16 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | An autoantibody to single-stranded DNA: comparison of the three-dimensional structures of the unliganded Fab and a deoxynucleotide-Fab complex. Proteins, 11, 1991
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3SQ6
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![BU of 3sq6 by Molmil](/molmil-images/mine/3sq6) | Crystal Structures of the Ligand Binding Domain of a Pentameric Alpha7 Nicotinic Receptor Chimera with its Agonist Epibatidine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, EPIBATIDINE, ... | Authors: | Li, S.-X, Huang, S, Bren, N, Noridomi, K, Dellisanti, C, Sine, S, Chen, L. | Deposit date: | 2011-07-05 | Release date: | 2011-09-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Ligand-binding domain of an alpha 7-nicotinic receptor chimera and its complex with agonist. Nat.Neurosci., 14, 2011
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6HK4
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![BU of 6hk4 by Molmil](/molmil-images/mine/6hk4) | Crystal structure of GSK-3B in complex with pyrazine inhibitor C22 | Descriptor: | 3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{N}-pyridin-3-yl-pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLY-SER-HIS-GLY-HIS-HIS-HIS-HIS-HIS, ... | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2018-09-05 | Release date: | 2019-07-17 | Last modified: | 2019-08-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations. J Chem Theory Comput, 15, 2019
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1YRV
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![BU of 1yrv by Molmil](/molmil-images/mine/1yrv) | Novel Ubiquitin-Conjugating Enzyme | Descriptor: | ubiquitin-conjugating ligase MGC351130 | Authors: | Walker, J.R, Choe, J, Avvakumov, G.V, Newman, E.M, MacKenzie, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2005-02-04 | Release date: | 2005-03-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
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2GL3
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7XMS
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![BU of 7xms by Molmil](/molmil-images/mine/7xms) | CryoEM structure of somatostatin receptor 4 (SSTR4) in complex with Gi1 and its endogeneous ligand SST-14 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q. | Deposit date: | 2022-04-26 | Release date: | 2022-08-03 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural insights into ligand recognition and selectivity of somatostatin receptors. Cell Res., 32, 2022
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7XMR
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![BU of 7xmr by Molmil](/molmil-images/mine/7xmr) | CryoEM structure of the somatostatin receptor 2 (SSTR2) in complex with Gi1 and its endogeneous peptide ligand SST-14 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q. | Deposit date: | 2022-04-26 | Release date: | 2022-08-03 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into ligand recognition and selectivity of somatostatin receptors. Cell Res., 32, 2022
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6HK3
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![BU of 6hk3 by Molmil](/molmil-images/mine/6hk3) | Crystal structure of GSK-3B in complex with pyrazine inhibitor C44 | Descriptor: | 3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2018-09-05 | Release date: | 2019-07-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations. J Chem Theory Comput, 15, 2019
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6HK7
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![BU of 6hk7 by Molmil](/molmil-images/mine/6hk7) | Crystal structure of GSK-3B in complex with pyrazine inhibitor C50 | Descriptor: | 3-azanyl-~{N}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2018-09-05 | Release date: | 2019-07-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations. J Chem Theory Comput, 15, 2019
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1VWC
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![BU of 1vwc by Molmil](/molmil-images/mine/1vwc) | STREPTAVIDIN-CYCLO-AC-[CHPQFC]-NH2, PH 2.0 | Descriptor: | PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN | Authors: | Katz, B.A, Cass, R.T. | Deposit date: | 1997-03-03 | Release date: | 1998-03-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0. J.Biol.Chem., 272, 1997
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1VWD
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![BU of 1vwd by Molmil](/molmil-images/mine/1vwd) | STREPTAVIDIN-CYCLO-AC-[CHPQFC]-NH2, PH 3.0 | Descriptor: | PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN | Authors: | Katz, B.A, Cass, R.T. | Deposit date: | 1997-03-03 | Release date: | 1998-03-18 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0. J.Biol.Chem., 272, 1997
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3QUL
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![BU of 3qul by Molmil](/molmil-images/mine/3qul) | Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 altered peptide ligand (Y4S) | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Allerbring, E, Duru, A.D, Uchtenhagen, H, Madhurantakam, C, Grimm, S, Tomek, M.B, Mazumdar, P.A, Spetz, A, Friemann, R, Sandalova, T, Uhlin, M, Nygren, P, Achour, A. | Deposit date: | 2011-02-24 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Unexpected T-cell recognition of an altered peptide ligand is driven by reversed thermodynamics. Eur.J.Immunol., 42, 2012
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