3G5M
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![BU of 3g5m by Molmil](/molmil-images/mine/3g5m) | Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory activity | 分子名称: | 6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | 著者 | Maiti, A, Sturdy, M, Marler, L, Pegan, S.D, Mesecar, A.D, Pezzuto, J.M, Cushman, M. | 登録日 | 2009-02-05 | 公開日 | 2009-03-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J.Med.Chem., 52, 2009
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5ZFA
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![BU of 5zfa by Molmil](/molmil-images/mine/5zfa) | Structure of human dihydroorotate dehydrogenase in complex with 287-12-OCOiPr | 分子名称: | (2E,6E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,6-dimethylocta-2,6-dien-1-yl 2-methylpropanoate, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | 著者 | Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. | 登録日 | 2018-03-02 | 公開日 | 2018-09-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions. Front Pharmacol, 9, 2018
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6KBH
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![BU of 6kbh by Molmil](/molmil-images/mine/6kbh) | Crystal structure of an intact type IV self-sufficient cytochrome P450 monooxygenase | 分子名称: | Cytochrome P450 monooxygenase, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | 著者 | Gong, R, Wu, L.J, Zhang, Y, Liu, Z, Dou, S, Zhang, R.G, Xu, J.H, Tang, C, Zhou, J.H. | 登録日 | 2019-06-25 | 公開日 | 2020-07-01 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of an intact type IV self-sufficient cytochrome P450 monooxygenase To Be Published
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6GFP
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![BU of 6gfp by Molmil](/molmil-images/mine/6gfp) | cyanobacterial GAPDH with NADP bound | 分子名称: | FORMIC ACID, Glyceraldehyde-3-phosphate dehydrogenase, MAGNESIUM ION, ... | 著者 | McFarlane, C.R, Briggs, L, Murray, J.W. | 登録日 | 2018-05-01 | 公開日 | 2019-05-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Structural basis of light-induced redox regulation in the Calvin-Benson cycle in cyanobacteria. Proc.Natl.Acad.Sci.USA, 116, 2019
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6B9O
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![BU of 6b9o by Molmil](/molmil-images/mine/6b9o) | Structure of GH 38 Jack Bean alpha-mannosidase | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase from Canavalia ensiformis (jack bean), ZINC ION, ... | 著者 | Howard, E, Cousido-Siah, A, Lepage, M, Bodlenner, A, Mitschler, A, Meli, A, De Riccardis, F, Izzo, I, Podjarny, A, Compain, P. | 登録日 | 2017-10-11 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.841 Å) | 主引用文献 | Structural Basis of Outstanding Multivalent Effects in Jack Bean alpha-Mannosidase Inhibition. Angew. Chem. Int. Ed. Engl., 57, 2018
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6BAC
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7VE7
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![BU of 7ve7 by Molmil](/molmil-images/mine/7ve7) | Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F | 分子名称: | 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | 登録日 | 2021-09-08 | 公開日 | 2022-05-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.720007 Å) | 主引用文献 | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition Nat Catal, 2022
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3IWR
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![BU of 3iwr by Molmil](/molmil-images/mine/3iwr) | Crystal structure of class I chitinase from Oryza sativa L. japonica | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Chitinase | 著者 | Kezuka, Y, Watanabe, T, Nonaka, T. | 登録日 | 2009-09-03 | 公開日 | 2010-04-21 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Structure of full-length class I chitinase from rice revealed by X-ray crystallography and small-angle X-ray scattering. Proteins, 78, 2010
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4KEU
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![BU of 4keu by Molmil](/molmil-images/mine/4keu) | Crystal structure of SsoPox W263M | 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 (2.2 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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6JVJ
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![BU of 6jvj by Molmil](/molmil-images/mine/6jvj) | Crystal structure of human MTH1 in complex with compound MI1006 | 分子名称: | 5-ethyl-N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine, 7,8-dihydro-8-oxoguanine triphosphatase | 著者 | Peng, C, Li, Y.H, Cheng, Y.S. | 登録日 | 2019-04-17 | 公開日 | 2020-10-28 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.297 Å) | 主引用文献 | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6KEZ
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![BU of 6kez by Molmil](/molmil-images/mine/6kez) | Crystal structure of GAPDH/CP12/PRK complex from Arabidopsis thaliana | 分子名称: | Calvin cycle protein CP12-2, Glyceraldehyde-3-phosphate dehydrogenase GAPA1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Yu, A, Xie, Y, Li, M. | 登録日 | 2019-07-05 | 公開日 | 2020-05-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Photosynthetic Phosphoribulokinase Structures: Enzymatic Mechanisms and the Redox Regulation of the Calvin-Benson-Bassham Cycle. Plant Cell, 32, 2020
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2GZ2
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![BU of 2gz2 by Molmil](/molmil-images/mine/2gz2) | Structure of Aspartate Semialdehyde Dehydrogenase (ASADH) from Streptococcus pneumoniae complexed with 2',5'-ADP | 分子名称: | ADENOSINE-2'-5'-DIPHOSPHATE, Aspartate beta-semialdehyde dehydrogenase | 著者 | Faehnle, C.R, Le Coq, J, Liu, X, Viola, R.E. | 登録日 | 2006-05-10 | 公開日 | 2006-08-15 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Examination of key intermediates in the catalytic cycle of aspartate-beta-semialdehyde dehydrogenase from a gram-positive infectious bacteria. J.Biol.Chem., 281, 2006
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6JVR
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![BU of 6jvr by Molmil](/molmil-images/mine/6jvr) | Crystal structure of human MTH1 in complex with compound MI1026 | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine | 著者 | Peng, C, Li, Y.H, Cheng, Y.S. | 登録日 | 2019-04-17 | 公開日 | 2020-10-28 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.295 Å) | 主引用文献 | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6BB1
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![BU of 6bb1 by Molmil](/molmil-images/mine/6bb1) | Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one | 分子名称: | (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ... | 著者 | Ultsch, M, Eigenbrot, C. | 登録日 | 2017-10-16 | 公開日 | 2018-10-24 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published
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5XVI
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4RDY
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![BU of 4rdy by Molmil](/molmil-images/mine/4rdy) | Crystal structure of VmoLac bound to 3-oxo-C10 AHL | 分子名称: | 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide, COBALT (II) ION, GLYCEROL, ... | 著者 | Hiblot, J, Bzdrenga, J, Champion, C, Gotthard, G, Gonzalez, D, Chabriere, E, Elias, M. | 登録日 | 2014-09-20 | 公開日 | 2015-02-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of VmoLac, a tentative quorum quenching lactonase from the extremophilic crenarchaeon Vulcanisaeta moutnovskia. Sci Rep, 5, 2015
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2GKE
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![BU of 2gke by Molmil](/molmil-images/mine/2gke) | Crystal structure of diaminopimelate epimerase in complex with an irreversible inhibitor LL-AziDAP | 分子名称: | (2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID, ACETIC ACID, Diaminopimelate epimerase, ... | 著者 | Pillai, B, Cherney, M.M, Diaper, C.M, Sutherland, A, Blanchard, J.S, Vederas, J.C, James, M.N. | 登録日 | 2006-04-01 | 公開日 | 2006-05-16 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Structural insights into stereochemical inversion by diaminopimelate epimerase: An antibacterial drug target. Proc.Natl.Acad.Sci.Usa, 103, 2006
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5XW2
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![BU of 5xw2 by Molmil](/molmil-images/mine/5xw2) | |
4KGZ
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![BU of 4kgz by Molmil](/molmil-images/mine/4kgz) | The R state structure of E. coli ATCase with UTP and Magnesium bound | 分子名称: | Aspartate carbamoyltransferase, Aspartate carbamoyltransferase regulatory chain, MAGNESIUM ION, ... | 著者 | Cockrell, G.M, Zheng, Y, Guo, W, Peterson, A.W, Kantrowitz, E.R. | 登録日 | 2013-04-29 | 公開日 | 2013-11-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | New Paradigm for Allosteric Regulation of Escherichia coli Aspartate Transcarbamoylase. Biochemistry, 52, 2013
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5XWC
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![BU of 5xwc by Molmil](/molmil-images/mine/5xwc) | Crystal Structure of Aspergillus niger Glutamate Dehydrogenase Complexed With Alpha-iminoglutarate, 2-amino-2-hydroxyglutarate and NADP | 分子名称: | (2S)-2-azanyl-2-oxidanyl-pentanedioic acid, (2Z)-2-iminopentanedioic acid, DI(HYDROXYETHYL)ETHER, ... | 著者 | Prakash, P, Punekar, N.S, Bhaumik, P. | 登録日 | 2017-06-29 | 公開日 | 2018-03-21 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural basis for the catalytic mechanism and alpha-ketoglutarate cooperativity of glutamate dehydrogenase. J. Biol. Chem., 293, 2018
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3IW1
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![BU of 3iw1 by Molmil](/molmil-images/mine/3iw1) | Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125 in complex with androstenedione | 分子名称: | 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 CYP125, PROTOPORPHYRIN IX CONTAINING FE | 著者 | McLean, K.J, Levy, C, Munro, A.W, Leys, D. | 登録日 | 2009-09-02 | 公開日 | 2009-11-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection. J.Biol.Chem., 284, 2009
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4KN5
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3DV0
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![BU of 3dv0 by Molmil](/molmil-images/mine/3dv0) | Snapshots of catalysis in the E1 subunit of the pyruvate dehydrogenase multi-enzyme complex | 分子名称: | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, MAGNESIUM ION, ... | 著者 | Pei, X.Y, Titman, C.M, Frank, R.A.W, Leeper, F.J, Luisi, B.F. | 登録日 | 2008-07-18 | 公開日 | 2009-01-13 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Snapshots of catalysis in the e1 subunit of the pyruvate dehydrogenase multienzyme complex Structure, 16, 2008
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5X7D
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![BU of 5x7d by Molmil](/molmil-images/mine/5x7d) | Structure of beta2 adrenoceptor bound to carazolol and an intracellular allosteric antagonist | 分子名称: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Liu, X, Ahn, S, Kahsai, A.W, Meng, K.-C, Latorraca, N.R, Pani, B, Venkatakrishnan, A.J, Masoudi, A, Weis, W.I, Dror, R.O, Chen, X, Lefkowitz, R.J, Kobilka, B.K. | 登録日 | 2017-02-25 | 公開日 | 2017-08-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.703 Å) | 主引用文献 | Mechanism of intracellular allosteric beta 2AR antagonist revealed by X-ray crystal structure. Nature, 548, 2017
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3IWK
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![BU of 3iwk by Molmil](/molmil-images/mine/3iwk) | Crystal structure of aminoaldehyde dehydrogenase 1 from Pisum sativum (PsAMADH1) | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, Aminoaldehyde dehydrogenase, GLYCEROL, ... | 著者 | Kopecny, D, Morera, S, Briozzo, P. | 登録日 | 2009-09-02 | 公開日 | 2010-01-19 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural and functional characterization of plant aminoaldehyde dehydrogenase from Pisum sativum with a broad specificity for natural and synthetic aminoaldehydes. J.Mol.Biol., 396, 2010
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