5TNR
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![BU of 5tnr by Molmil](/molmil-images/mine/5tnr) | Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 16,17-EpDPE hydrolysis intermediate | Descriptor: | (4Z,7Z,10Z,13Z,16R,17R,19Z)-16,17-dihydroxydocosa-4,7,10,13,19-pentaenoic acid, CFTR inhibitory factor | Authors: | Hvorecny, K.L, Madden, D.R. | Deposit date: | 2016-10-14 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase. Structure, 25, 2017
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1PZK
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![BU of 1pzk by Molmil](/molmil-images/mine/1pzk) | Cholera Toxin B-Pentamer Complexed With N-Acyl Phenyl Galactoside 9h | Descriptor: | Cholera Toxin B Subunit, N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-(2-THIOPHEN-2-YL-ACETYLAMINO)-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE | Authors: | Mitchell, D.D, Pickens, J.C, Korotkov, K, Fan, E, Hol, W.G.J. | Deposit date: | 2003-07-11 | Release date: | 2004-03-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | 3,5-Substituted phenyl galactosides as leads in designing effective cholera toxin antagonists; synthesis and crystallographic studies Bioorg.Med.Chem., 12, 2004
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5UG6
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![BU of 5ug6 by Molmil](/molmil-images/mine/5ug6) | Perforin C2 Domain - T431D | Descriptor: | IODIDE ION, Perforin-1 | Authors: | Law, R.H.P, Conroy, P.J, Voskoboinik, I, Whisstock, J.C. | Deposit date: | 2017-01-07 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Perforin proteostasis is regulated through its C2 domain: supra-physiological cell death mediated by T431D-perforin. Cell Death Differ., 25, 2018
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1PZJ
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![BU of 1pzj by Molmil](/molmil-images/mine/1pzj) | Cholera Toxin B-Pentamer Complexed With Nitrophenyl Galactoside 5 | Descriptor: | Cholera Toxin B Subunit, N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-ALPHA-BENZAMIDE, N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-BETA-BENZAMIDE | Authors: | Mitchell, D.D, Pickens, J.C, Korotkov, K, Fan, E, Hol, W.G.J. | Deposit date: | 2003-07-11 | Release date: | 2004-03-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | 3,5-Substituted phenyl galactosides as leads in designing effective cholera toxin antagonists; synthesis and crystallographic studies Bioorg.Med.Chem., 12, 2004
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3NYF
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3O73
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![BU of 3o73 by Molmil](/molmil-images/mine/3o73) | Crystal structure of quinone reductase 2 in complex with the indolequinone MAC627 | Descriptor: | 5-[(4-aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1H-indole-4,7-dione, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Dufour, M, Yan, C, Colucci, M.A, Siegel, D, Li, Y, De Matteis, C.I, Ross, D, Moody, C.J. | Deposit date: | 2010-07-30 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism-Based Inhibition of Quinone Reductase 2 (NQO2): Selectivity for NQO2 over NQO1 and Structural Basis for Flavoprotein Inhibition. Chembiochem, 12, 2011
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4BJY
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![BU of 4bjy by Molmil](/molmil-images/mine/4bjy) | Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid- assisted flavoprotein strategy for regioselective aromatic hydroxylation: Platinum derivative | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL, ... | Authors: | Orru, R, Montersino, S, Barendregt, A, Westphal, A.H, van Duijn, E, Mattevi, A, van Berkel, W.J.H. | Deposit date: | 2013-04-21 | Release date: | 2013-07-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Crystal Structure of 3-Hydroxybenzoate 6-Hydroxylase Uncovers Lipid-Assisted Flavoprotein Strategy for Regioselective Aromatic Hydroxylation J.Biol.Chem., 288, 2013
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3D6Z
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3CSI
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3OPZ
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![BU of 3opz by Molmil](/molmil-images/mine/3opz) | Crystal structure of trans-sialidase in complex with the Fab fragment of a neutralizing monoclonal IgG antibody | Descriptor: | 1,4-DIETHYLENE DIOXIDE, SODIUM ION, Trans-sialidase, ... | Authors: | Larrieux, N, Muia, R, Campetella, O, Buschiazzo, A. | Deposit date: | 2010-09-02 | Release date: | 2011-11-09 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Trypanosoma cruzi trans-sialidase in complex with a neutralizing antibody: structure/function studies towards the rational design of inhibitors. Plos Pathog., 8, 2012
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3CSH
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![BU of 3csh by Molmil](/molmil-images/mine/3csh) | |
3CUZ
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![BU of 3cuz by Molmil](/molmil-images/mine/3cuz) | |
3CV2
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![BU of 3cv2 by Molmil](/molmil-images/mine/3cv2) | |
3D71
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![BU of 3d71 by Molmil](/molmil-images/mine/3d71) | Crystal structure of E253Q BMRR bound to 22 base pair promoter site | Descriptor: | BMR promoter DNA, CITRATE ANION, IMIDAZOLE, ... | Authors: | Newberry, K.J, Huffman, J.L, Brennan, R.G. | Deposit date: | 2008-05-20 | Release date: | 2008-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of BmrR-Drug Complexes Reveal a Rigid Multidrug Binding Pocket and Transcription Activation through Tyrosine Expulsion J.Biol.Chem., 283, 2008
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3CV1
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![BU of 3cv1 by Molmil](/molmil-images/mine/3cv1) | |
3PI6
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![BU of 3pi6 by Molmil](/molmil-images/mine/3pi6) | |
3CSJ
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![BU of 3csj by Molmil](/molmil-images/mine/3csj) | Human glutathione s-transferase p1-1 in complex with chlorambucil | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORAMBUCIL, CHLORIDE ION, ... | Authors: | Parker, L.J. | Deposit date: | 2008-04-09 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants. J.Mol.Biol., 380, 2008
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3D70
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3PJQ
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![BU of 3pjq by Molmil](/molmil-images/mine/3pjq) | Trypanosoma cruzi trans-sialidase-like inactive isoform (including the natural mutation Tyr342His) in complex with lactose | Descriptor: | Trans-sialidase, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Oppezzo, P, Baraibar, M, Obal, G, Pritsch, O, Alzari, P.M, Buschiazzo, A. | Deposit date: | 2010-11-10 | Release date: | 2011-06-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of an enzymatically inactive trans-sialidase-like lectin from Trypanosoma cruzi: the carbohydrate binding mechanism involves residual sialidase activity. Biochim.Biophys.Acta, 1814, 2011
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3DD3
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4BAA
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![BU of 4baa by Molmil](/molmil-images/mine/4baa) | Redesign of a Phenylalanine Aminomutase into a beta-Phenylalanine Ammonia Lyase | Descriptor: | PHENYLALANINE AMMONIA-LYASE | Authors: | Bartsch, S, Wybenga, G.G, Jansen, M, Heberling, M.M, Wu, B, Dijkstra, B.W, Janssen, D.B. | Deposit date: | 2012-09-12 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Redesign of a Phenylalanine Aminomutase Into a Phenylalanine Ammonia Lyase To be Published
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3Q1Y
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3DGQ
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4C74
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![BU of 4c74 by Molmil](/molmil-images/mine/4c74) | Phenylacetone monooxygenase: Reduced enzyme in complex with APADP | Descriptor: | 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, ... | Authors: | Martinoli, C, Fraaije, M.W, Mattevi, A. | Deposit date: | 2013-09-19 | Release date: | 2014-02-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Beyond the Protein Matrix: Probing Cofactor Variants in a Baeyer-Villiger Oxygenation Reaction. Acs Catal., 3, 2013
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3E2D
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![BU of 3e2d by Molmil](/molmil-images/mine/3e2d) | The 1.4 A crystal structure of the large and cold-active Vibrio sp. alkaline phosphatase | Descriptor: | 1,2-ETHANEDIOL, Alkaline phosphatase, MAGNESIUM ION, ... | Authors: | Helland, R, Larsen, R.L, Asgeirsson, B. | Deposit date: | 2008-08-05 | Release date: | 2009-06-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The 1.4 A crystal structure of the large and cold-active Vibrio sp. alkaline phosphatase. Biochim.Biophys.Acta, 1794, 2009
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