4HKW
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![BU of 4hkw by Molmil](/molmil-images/mine/4hkw) | Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with Substrate and Products | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Endo-1,4-beta-xylanase 2, ... | Authors: | Kovalevsky, A.Y, Wan, Q, Langan, P, Coates, L. | Deposit date: | 2012-10-15 | Release date: | 2014-01-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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3W23
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![BU of 3w23 by Molmil](/molmil-images/mine/3w23) | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-131 | Descriptor: | 5-[2-(3-chlorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | Deposit date: | 2012-11-26 | Release date: | 2013-11-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-131 To be Published
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4CPN
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![BU of 4cpn by Molmil](/molmil-images/mine/4cpn) | Structure of the Neuraminidase from the B/Brisbane/60/2008 virus in complex with Zanamivir | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B. | Deposit date: | 2014-02-08 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses. J.Infect.Dis., 210, 2014
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2ZB8
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![BU of 2zb8 by Molmil](/molmil-images/mine/2zb8) | Crystal structure of human 15-ketoprostaglandin delta-13-reductase in complex with NADP and indomethacin | Descriptor: | INDOMETHACIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 2, ... | Authors: | Wu, Y.H, Wang, A.H.J, Ko, T.P, Guo, R.T, Hu, S.M, Chuang, L.M. | Deposit date: | 2007-10-16 | Release date: | 2008-09-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for catalytic and inhibitory mechanisms of human prostaglandin reductase PTGR2. Structure, 16, 2008
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2ZBN
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![BU of 2zbn by Molmil](/molmil-images/mine/2zbn) | |
3VNO
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![BU of 3vno by Molmil](/molmil-images/mine/3vno) | Cytochrome P450SP alpha (CYP152B1) mutant R241E | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Fatty acid alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Fujishiro, T, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2012-01-17 | Release date: | 2013-02-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | A substrate-binding-state mimic of H2O2-dependent cytochrome P450 produced by one-point mutagenesis and peroxygenation of non-native substrates Catalysis Science And Technology, 6, 2016
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2ZQ3
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![BU of 2zq3 by Molmil](/molmil-images/mine/2zq3) | The crystal structure of the orthorhombic form of hen egg white lysozyme at 1.6 angstroms resolution | Descriptor: | Lysozyme C, SODIUM ION | Authors: | Aibara, S, Suzuki, A, Kidera, A, Shibata, K, Hirose, M. | Deposit date: | 2008-08-03 | Release date: | 2008-09-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structure of the orthorhombic form of hen egg white lysozyme at 1.5 angstroms resolution To be Published
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1P0V
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![BU of 1p0v by Molmil](/molmil-images/mine/1p0v) | F393A mutant heme domain of flavocytochrome P450 BM3 | Descriptor: | Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ost, T.W.B, Clark, J, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K, Daff, S, Mowat, C.G. | Deposit date: | 2003-04-11 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Oxygen Activation and Electron Transfer in Flavocytochrome P450 BM3 J.Am.Chem.Soc., 125, 2003
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4HR3
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![BU of 4hr3 by Molmil](/molmil-images/mine/4hr3) | |
3VO0
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![BU of 3vo0 by Molmil](/molmil-images/mine/3vo0) | Crystal structure of beta-glucuronidase from Acidobacterium capsulatum covalent-bonded with 2-deoxy-2-fluoro-D-glucuronic acid | Descriptor: | 2,4-DINITROPHENOL, 2-deoxy-2-fluoro-alpha-D-glucopyranuronic acid, 2-deoxy-2-fluoro-beta-D-glucopyranuronic acid, ... | Authors: | Momma, M, Fujimoto, Z, Michikawa, M, Ichinose, H, Jongkees, S, Yoshida, M, Kotake, Y, Biely, P, Tsumuraya, Y, Withers, S, Kaneko, S. | Deposit date: | 2012-01-18 | Release date: | 2012-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and biochemical characterization of glycoside hydrolase family 79 beta-glucuronidase from Acidobacterium capsulatum J.Biol.Chem., 287, 2012
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1P8R
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![BU of 1p8r by Molmil](/molmil-images/mine/1p8r) | Structural and Functional Importance of First-Shell Metal Ligands in the Binuclear Manganese Cluster of Arginase I. | Descriptor: | Arginase 1, CHLORIDE ION, MANGANESE (II) ION, ... | Authors: | Cama, E, Emig, F.A, Ash, D.E, Christianson, D.W. | Deposit date: | 2003-05-07 | Release date: | 2003-06-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and functional importance of first-shell metal ligands in the binuclear
manganese cluster of arginase I Biochemistry, 42, 2003
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1X51
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![BU of 1x51 by Molmil](/molmil-images/mine/1x51) | Solution structure of the NUDIX domain from human A/G-specific adenine DNA glycosylase alpha-3 splice isoform | Descriptor: | A/G-specific adenine DNA glycosylase | Authors: | Tomizawa, T, Kigawa, T, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-05-15 | Release date: | 2005-11-15 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the NUDIX domain from human A/G-specific adenine DNA glycosylase alpha-3 splice isoform To be Published
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2DJL
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![BU of 2djl by Molmil](/molmil-images/mine/2djl) | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with succinate | Descriptor: | COBALT HEXAMMINE(III), FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | Authors: | Inaoka, D.K, Shimizu, H, Sakamoto, K, Shiba, T, Kurisu, G, Nara, T, Aoki, T, Harada, S, Kita, K. | Deposit date: | 2006-04-04 | Release date: | 2007-06-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with succinate To be Published
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2ZUH
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![BU of 2zuh by Molmil](/molmil-images/mine/2zuh) | Crystal Structure of Camphor-soaked Ferric Cytochrome P450cam Mutant (D297A) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Camphor 5-monooxygenase, ... | Authors: | Sakurai, K, Harada, K, Shimada, H, Shimokata, K, Hayashi, T, Tsukihara, T. | Deposit date: | 2008-10-18 | Release date: | 2009-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal Structure of Camphor-soaked Ferric Cytochrome P450cam Mutant to be published
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1P37
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![BU of 1p37 by Molmil](/molmil-images/mine/1p37) | T4 LYSOZYME CORE REPACKING BACK-REVERTANT L102M/CORE10 | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ... | Authors: | Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. | Deposit date: | 2003-04-16 | Release date: | 2003-10-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Repacking the Core of T4 lysozyme by automated design J.Mol.Biol., 332, 2003
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1P3N
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![BU of 1p3n by Molmil](/molmil-images/mine/1p3n) | CORE REDESIGN BACK-REVERTANT I103V/CORE10 | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ... | Authors: | Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. | Deposit date: | 2003-04-17 | Release date: | 2003-10-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Repacking the Core of T4 lysozyme by automated design J.Mol.Biol., 332, 2003
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4CQL
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![BU of 4cql by Molmil](/molmil-images/mine/4cql) | Crystal structure of heterotetrameric human ketoacyl reductase complexed with NAD | Descriptor: | CARBONYL REDUCTASE FAMILY MEMBER 4, ESTRADIOL 17-BETA-DEHYDROGENASE 8, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Venkatesan, R, Sah-Teli, S.K, Awoniyi, L.O, Jiang, G, Prus, P, Kastaniotis, A.J, Hiltunen, J.K, Wierenga, R.K, Chen, Z. | Deposit date: | 2014-02-19 | Release date: | 2014-09-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Insights Into Mitochondrial Fatty Acid Synthesis from the Structure of Heterotetrameric 3-Ketoacyl-Acp Reductase/3R-Hydroxyacyl-Coa Dehydrogenase. Nat.Commun., 5, 2014
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3VRM
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![BU of 3vrm by Molmil](/molmil-images/mine/3vrm) | Structure of cytochrome P450 Vdh mutant T107A with bound vitamin D3 | Descriptor: | (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL, PROTOPORPHYRIN IX CONTAINING FE, Vitamin D(3) 25-hydroxylase | Authors: | Nishioka, T, Yasutake, Y, Tamura, T. | Deposit date: | 2012-04-12 | Release date: | 2013-04-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | A single mutation at the ferredoxin binding site of p450 vdh enables efficient biocatalytic production of 25-hydroxyvitamin d3. Chembiochem, 14, 2013
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1WDP
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![BU of 1wdp by Molmil](/molmil-images/mine/1wdp) | The role of an inner loop in the catalytic mechanism of soybean beta-amylase | Descriptor: | Beta-amylase, SULFATE ION | Authors: | Kang, Y.N, Adachi, M, Utsumi, S, Mikami, B. | Deposit date: | 2004-05-17 | Release date: | 2005-04-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Structural analysis of threonine 342 mutants of soybean beta-amylase: role of a conformational change of the inner loop in the catalytic mechanism. Biochemistry, 44, 2005
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1WD4
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![BU of 1wd4 by Molmil](/molmil-images/mine/1wd4) | Crystal structure of arabinofuranosidase complexed with arabinose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-L-arabinofuranose, alpha-L-arabinofuranosidase B | Authors: | Miyanaga, A, Koseki, T, Matsuzawa, H, Wakagi, T, Shoun, H, Fushinobu, S. | Deposit date: | 2004-05-11 | Release date: | 2004-09-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Crystal structure of a family 54 alpha-L-arabinofuranosidase reveals a novel carbohydrate-binding module that can bind arabinose J.Biol.Chem., 279, 2004
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1WEF
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![BU of 1wef by Molmil](/molmil-images/mine/1wef) | |
1WEI
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![BU of 1wei by Molmil](/molmil-images/mine/1wei) | Catalytic Domain Of Muty From Escherichia Coli K20A Mutant Complexed To Adenine | Descriptor: | 1,2-ETHANEDIOL, A/G-specific adenine glycosylase, ADENINE, ... | Authors: | Hitomi, K, Arvai, A.S, Tainer, J.A. | Deposit date: | 2004-05-25 | Release date: | 2004-09-21 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Reaction intermediates in the catalytic mechanism of Escherichia coli MutY DNA glycosylase J.Biol.Chem., 279, 2004
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1OO5
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![BU of 1oo5 by Molmil](/molmil-images/mine/1oo5) | Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of the Enzyme Active Form and Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs | Descriptor: | FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S. | Deposit date: | 2003-03-03 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form J.Med.Chem., 46, 2003
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2DBQ
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![BU of 2dbq by Molmil](/molmil-images/mine/2dbq) | Crystal Structure of Glyoxylate Reductase (PH0597) from Pyrococcus horikoshii OT3, Complexed with NADP (I41) | Descriptor: | GLYCEROL, Glyoxylate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Yoshikawa, S, Arai, R, Kinoshita, Y, Uchikubo-Kamo, T, Akasaka, R, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-12-16 | Release date: | 2006-06-16 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of archaeal glyoxylate reductase from Pyrococcus horikoshii OT3 complexed with nicotinamide adenine dinucleotide phosphate. Acta Crystallogr.,Sect.D, 63, 2007
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1P6B
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![BU of 1p6b by Molmil](/molmil-images/mine/1p6b) | X-ray structure of phosphotriesterase, triple mutant H254G/H257W/L303T | Descriptor: | DIETHYL 4-METHYLBENZYLPHOSPHONATE, ETHYL DIHYDROGEN PHOSPHATE, Parathion hydrolase, ... | Authors: | Hill, C.M, Li, W, Thoden, J.B, Holden, H.M, Raushel, F.M. | Deposit date: | 2003-04-29 | Release date: | 2003-09-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Enhanced degradation of chemical warfare agents through molecular engineering of the phosphotriesterase active site. J.Am.Chem.Soc., 125, 2003
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