4KPN
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![BU of 4kpn by Molmil](/molmil-images/mine/4kpn) | Plant nucleoside hydrolase - PpNRh1 enzyme | 分子名称: | CALCIUM ION, Nucleoside N-ribohydrolase 1 | 著者 | Morera, S, Vigouroux, A, Kopecny, D. | 登録日 | 2013-05-14 | 公開日 | 2013-11-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | 主引用文献 | Structure and Function of Nucleoside Hydrolases from Physcomitrella patens and Maize Catalyzing the Hydrolysis of Purine, Pyrimidine, and Cytokinin Ribosides. Plant Physiol., 163, 2013
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2WK2
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![BU of 2wk2 by Molmil](/molmil-images/mine/2wk2) | Chitinase A from Serratia marcescens ATCC990 in complex with Chitotrio-thiazoline dithioamide. | 分子名称: | 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose-(1-4)-2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, CHITINASE A, ... | 著者 | Taylor, E.J, Dennis, R.J, Macdonald, J.M, Tarling, C.A, Knapp, S, Withers, S.G, Davies, G.J. | 登録日 | 2009-06-04 | 公開日 | 2010-03-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Chitinase Inhibition by Chitobiose and Chitotriose Thiazolines. Angew.Chem.Int.Ed.Engl., 49, 2010
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6BPG
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2WQY
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![BU of 2wqy by Molmil](/molmil-images/mine/2wqy) | Remodelling of carboxin binding to the Q-site of avian respiratory complex II | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, AZIDE ION, ... | 著者 | Ruprecht, J, Iwata, S, Cecchini, G. | 登録日 | 2009-08-27 | 公開日 | 2010-08-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Remodelling of Carboxin Binding to the Q-Site of Avian Respiratory Complex II To be Published
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2WZM
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![BU of 2wzm by Molmil](/molmil-images/mine/2wzm) | Crystal structure of a mycobacterium aldo-keto reductase in its apo and liganded form | 分子名称: | ALDO-KETO REDUCTASE, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | 著者 | Scoble, J, McAlister, A.D, Fulton, Z, Troy, S, Byres, E, Vivian, J.P, Brammananth, R, Wilce, M.C.J, Le Nours, J, Zaker-Tabrizi, L, Coppel, R.L, Crellin, P.K, Rossjohn, J, Beddoe, T. | 登録日 | 2009-11-30 | 公開日 | 2010-02-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Crystal Structure and Comparative Functional Analyses of a Mycobacterium Aldo-Keto Reductase. J.Mol.Biol., 398, 2010
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6C9X
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![BU of 6c9x by Molmil](/molmil-images/mine/6c9x) | THE CRYSTAL STRUCTURE OF THE alpha-Glucosidase (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with voglibose | 分子名称: | (1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, CHLORIDE ION, FORMIC ACID, ... | 著者 | Tan, K, Tesar, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2018-01-29 | 公開日 | 2018-03-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.457 Å) | 主引用文献 | THE CRYSTAL STRUCTURE OF THE alpha-Glucosidase (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with voglibose To Be Published
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4KER
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![BU of 4ker by Molmil](/molmil-images/mine/4ker) | Crystal structure of SsoPox W263V | 分子名称: | 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ... | 著者 | Gotthard, G, Hiblot, J, Chabriere, E, Elias, M. | 登録日 | 2013-04-26 | 公開日 | 2013-10-02 | 最終更新日 | 2013-11-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase SsoPox. Plos One, 8, 2013
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5WQP
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![BU of 5wqp by Molmil](/molmil-images/mine/5wqp) | Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition II) | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICOTINAMIDE, PHOSPHATE ION, ... | 著者 | Li, S, Wang, Y, Bartlam, M. | 登録日 | 2016-11-27 | 公開日 | 2017-10-04 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1. FEBS Lett., 591, 2017
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3HUQ
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![BU of 3huq by Molmil](/molmil-images/mine/3huq) | Thieno[3,2-b]thiophene in complex with T4 lysozyme L99A/M102Q | 分子名称: | BETA-MERCAPTOETHANOL, Lysozyme, PHOSPHATE ION, ... | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | 登録日 | 2009-06-15 | 公開日 | 2009-11-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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4QOJ
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![BU of 4qoj by Molmil](/molmil-images/mine/4qoj) | CRYSTAL STRUCTURE OF FMN QUINONE REDUCTASE 2 IN COMPLEX WITH RESVERATROL AT 1.85A | 分子名称: | FLAVIN MONONUCLEOTIDE, RESVERATROL, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | 著者 | Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G. | 登録日 | 2014-06-20 | 公開日 | 2015-08-12 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | CRYSTAL STRUCTURE OF FMN QUINONE REDUCTASE 2 IN COMPLEX WITH RESVERATROL AT 1.85A To be Published
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3I63
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![BU of 3i63 by Molmil](/molmil-images/mine/3i63) | Peroxide Bound Toluene 4-Monooxygenase | 分子名称: | FE (III) ION, HYDROGEN PEROXIDE, Toluene-4-monooxygenase system protein A, ... | 著者 | Bailey, L.J, Fox, B.G. | 登録日 | 2009-07-06 | 公開日 | 2009-10-13 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Crystallographic and catalytic studies of the peroxide-shunt reaction in a diiron hydroxylase. Biochemistry, 48, 2009
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5WW4
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5WWE
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![BU of 5wwe by Molmil](/molmil-images/mine/5wwe) | Crystal structure of hnRNPA2B1 in complex with RNA | 分子名称: | Heterogeneous nuclear ribonucleoproteins A2/B1, RNA (5'-R(*AP*GP*GP*GP*AP*CP*UP*AP*GP*A)-3') | 著者 | Wu, B.X, Su, S.C, Ma, J.B. | 登録日 | 2017-01-01 | 公開日 | 2018-01-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Molecular basis for the specific and multivariant recognitions of RNA substrates by human hnRNP A2/B1. Nat Commun, 9, 2018
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6BO2
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![BU of 6bo2 by Molmil](/molmil-images/mine/6bo2) | Adducts formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL | 分子名称: | CHLORIDE ION, Lysozyme C, RUTHENIUM ION, ... | 著者 | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | 登録日 | 2017-11-17 | 公開日 | 2018-05-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Unexpected arene ligand exchange results in the oxidation of an organoruthenium anticancer agent: the first X-ray structure of a protein-Ru(carbene) adduct. Chem. Commun. (Camb.), 54, 2018
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6F2U
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![BU of 6f2u by Molmil](/molmil-images/mine/6f2u) | Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid | 分子名称: | 3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{N}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Goyal, P, Wahlgren, W.Y, Friemann, R. | 登録日 | 2017-11-27 | 公開日 | 2018-04-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid. Eur J Med Chem, 150, 2018
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6BUO
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5WS7
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![BU of 5ws7 by Molmil](/molmil-images/mine/5ws7) | Crystal structure of human MTH1(G2K/C87A/C104S mutant) in complex with 2-oxo-dATP | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | 著者 | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | 登録日 | 2016-12-05 | 公開日 | 2017-01-04 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity J. Biol. Chem., 292, 2017
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4M82
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![BU of 4m82 by Molmil](/molmil-images/mine/4m82) | The structure of E292S glycosynthase variant of exo-1,3-beta-glucanase from Candida albicans complexed with p-nitrophenyl-gentiobioside (product) at 1.6A resolution | 分子名称: | 1,2-ETHANEDIOL, 4-nitrophenyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside, EXO-1,3-BETA-GLUCANASE, ... | 著者 | Nakatani, Y, Cutfield, S.M, Larsen, D.S, Cutfield, J.F. | 登録日 | 2013-08-12 | 公開日 | 2014-06-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.592 Å) | 主引用文献 | Major Change in Regiospecificity for the Exo-1,3-beta-glucanase from Candida albicans following Its Conversion to a Glycosynthase. Biochemistry, 53, 2014
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2HVM
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6FA0
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6BPT
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![BU of 6bpt by Molmil](/molmil-images/mine/6bpt) | Crystal structure of ferrous form of the uncrosslinked F2-Tyr157 human cysteine dioxygenase | 分子名称: | Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ... | 著者 | Liu, A, Li, J, Shin, I. | 登録日 | 2017-11-26 | 公開日 | 2018-07-04 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | 主引用文献 | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase. Nat. Chem. Biol., 14, 2018
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3I43
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2WIF
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![BU of 2wif by Molmil](/molmil-images/mine/2wif) | AGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | 登録日 | 2009-05-11 | 公開日 | 2009-05-19 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun. Biochem. J., 421, 2009
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6BPW
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![BU of 6bpw by Molmil](/molmil-images/mine/6bpw) | Crystal structure of ferrous form of the Cl2-Tyr157 human cysteine dioxygenase with both uncrosslinked and crosslinked cofactor | 分子名称: | Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ... | 著者 | Liu, A, Li, J, Shin, I. | 登録日 | 2017-11-26 | 公開日 | 2018-07-04 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase. Nat. Chem. Biol., 14, 2018
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3FWF
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![BU of 3fwf by Molmil](/molmil-images/mine/3fwf) | Ferric camphor bound cytochrome P450cam containing a Selenocysteine as the 5th heme ligand, monoclinic crystal form | 分子名称: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | 著者 | Schlichting, I, Von Koenig, K, Aldag, C, Hilvert, D. | 登録日 | 2009-01-18 | 公開日 | 2009-03-03 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine. Proc.Natl.Acad.Sci.USA, 106, 2009
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