6KW1
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![BU of 6kw1 by Molmil](/molmil-images/mine/6kw1) | The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide 1b | 分子名称: | 2-[3-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]benzoic acid, ACETATE ION, Beta-lactamase class B VIM-2, ... | 著者 | Yang, K.W, Xiang, Y. | 登録日 | 2019-09-05 | 公開日 | 2020-09-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.775212 Å) | 主引用文献 | Kinetic, Thermodynamic, and Crystallographic Studies of 2-Triazolylthioacetamides as Verona Integron-Encoded Metallo-beta-Lactamase 2 (VIM-2) Inhibitor. Biomolecules, 10, 2020
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3WY7
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![BU of 3wy7 by Molmil](/molmil-images/mine/3wy7) | Crystal structure of Mycobacterium smegmatis 7-Keto-8-aminopelargonic acid (KAPA) synthase BioF | 分子名称: | 8-amino-7-oxononanoate synthase | 著者 | Fan, S.H, Li, D.F, Wang, D.C, Chen, G.J, Zhang, X.E, Bi, L.J. | 登録日 | 2014-08-20 | 公開日 | 2014-12-17 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure and function of Mycobacterium smegmatis 7-keto-8-aminopelargonic acid (KAPA) synthase Int.J.Biochem.Cell Biol., 58C, 2014
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4O0N
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![BU of 4o0n by Molmil](/molmil-images/mine/4o0n) | 2.4 Angstrom Resolution Crystal Structure of Putative Nucleoside Diphosphate Kinase from Toxoplasma gondii. | 分子名称: | Nucleoside diphosphate kinase, SULFATE ION | 著者 | Minasov, G, Ruan, J, Ngo, H, Shuvalova, L, Dubrovska, I, Flores, K, Shanmugam, D, Roos, D, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2013-12-13 | 公開日 | 2013-12-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii . Front Cell Infect Microbiol, 8, 2018
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4O1M
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![BU of 4o1m by Molmil](/molmil-images/mine/4o1m) | Toxoplasma gondii Enoyl acyl carrier protein reductase | 分子名称: | Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Muench, S.P, Wilkinson, C, Prigge, S.T, Rice, D.W. | 登録日 | 2013-12-16 | 公開日 | 2014-02-05 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The benzimidazole based drugs show good activity against T. gondii but poor activity against its proposed enoyl reductase enzyme target Bioorg.Med.Chem.Lett., 24, 2014
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4ODI
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![BU of 4odi by Molmil](/molmil-images/mine/4odi) | 2.6 Angstrom Crystal Structure of Putative Phosphoglycerate Mutase 1 from Toxoplasma gondii | 分子名称: | Phosphoglycerate mutase PGMII, SODIUM ION | 著者 | Minasov, G, Ruan, J, Ngo, H, Shuvalova, L, Dubrovska, I, Flores, K, Shanmugam, D, Roos, D, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2014-01-10 | 公開日 | 2014-01-22 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii . Front Cell Infect Microbiol, 8, 2018
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6KXA
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![BU of 6kxa by Molmil](/molmil-images/mine/6kxa) | Galectin-3 CRD binds to GalA dimer | 分子名称: | Galectin-3, alpha-D-galactopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid | 著者 | Su, J. | 登録日 | 2019-09-10 | 公開日 | 2020-08-26 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Topsy-turvy binding of negatively charged homogalacturonan oligosaccharides to galectin-3. Glycobiology, 31, 2021
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5KZI
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1GH2
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![BU of 1gh2 by Molmil](/molmil-images/mine/1gh2) | Crystal structure of the catalytic domain of a new human thioredoxin-like protein | 分子名称: | THIOREDOXIN-LIKE PROTEIN | 著者 | Jin, J, Chen, X, Guo, Q, Yuan, J, Qiang, B, Rao, Z. | 登録日 | 2000-11-01 | 公開日 | 2001-05-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Crystal structure of the catalytic domain of a human thioredoxin-like protein. Eur.J.Biochem., 269, 2002
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1A2A
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![BU of 1a2a by Molmil](/molmil-images/mine/1a2a) | AGKISTROTOXIN, A PHOSPHOLIPASE A2-TYPE PRESYNAPTIC NEUROTOXIN FROM AGKISTRODON HALYS PALLAS | 分子名称: | CHLORIDE ION, PHOSPHOLIPASE A2 | 著者 | Tang, L, Zhou, Y, Lin, Z. | 登録日 | 1997-12-25 | 公開日 | 1999-01-13 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structure of agkistrodotoxin, a phospholipase A2-type presynaptic neurotoxin from agkistrodon halys pallas. J.Mol.Biol., 282, 1998
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6LG3
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1B4W
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6LP7
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![BU of 6lp7 by Molmil](/molmil-images/mine/6lp7) | Crystal structure of human DHODH in complex with inhibitor 0944 | 分子名称: | 3-[3,5-bis(fluoranyl)-4-(3-methoxyphenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | 著者 | Chen, Q, Yu, Y. | 登録日 | 2020-01-09 | 公開日 | 2020-09-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | 主引用文献 | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J.Med.Chem., 63, 2020
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6LP8
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![BU of 6lp8 by Molmil](/molmil-images/mine/6lp8) | Crystal structure of human DHODH in complex with inhibitor 1243 | 分子名称: | 3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | 著者 | Chen, Q, Yu, Y. | 登録日 | 2020-01-09 | 公開日 | 2020-09-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J.Med.Chem., 63, 2020
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6LP6
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![BU of 6lp6 by Molmil](/molmil-images/mine/6lp6) | Crystal structure of human DHODH in complex with inhibitor 1214 | 分子名称: | 3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | 著者 | Chen, Q, Yu, Y. | 登録日 | 2020-01-09 | 公開日 | 2020-09-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.795 Å) | 主引用文献 | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J.Med.Chem., 63, 2020
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1JIA
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3DPC
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3VM7
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![BU of 3vm7 by Molmil](/molmil-images/mine/3vm7) | Structure of an Alpha-Amylase from Malbranchea cinnamomea | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ... | 著者 | Zhou, P, Hu, S.Q, Zhou, Y, Han, P, Yang, S.Q, Jiang, Z.Q. | 登録日 | 2011-12-09 | 公開日 | 2013-05-29 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | A Novel Multifunctional alpha-Amylase from the Thermophilic Fungus Malbranchea cinnamomea: Biochemical Characterization and Three-Dimensional Structure. Appl Biochem Biotechnol., 170, 2013
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8K4F
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![BU of 8k4f by Molmil](/molmil-images/mine/8k4f) | DHODH in complex with compound A0 | 分子名称: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ... | 著者 | Jian, L, Sun, Q. | 登録日 | 2023-07-18 | 公開日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease. J.Med.Chem., 66, 2023
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5NDF
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![BU of 5ndf by Molmil](/molmil-images/mine/5ndf) | Small-molecule inhibition of ppGalNAc-Ts selectively reduces mucin-type O-glycosylation | 分子名称: | 1,2-ETHANEDIOL, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, MANGANESE (II) ION, ... | 著者 | Hurtado-Guerrero, R, De las Rivas, M. | 登録日 | 2017-03-08 | 公開日 | 2017-11-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The small molecule luteolin inhibits N-acetyl-alpha-galactosaminyltransferases and reduces mucin-type O-glycosylation of amyloid precursor protein. J. Biol. Chem., 292, 2017
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3L0I
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![BU of 3l0i by Molmil](/molmil-images/mine/3l0i) | Complex structure of SidM/DrrA with the wild type Rab1 | 分子名称: | CHLORIDE ION, DrrA, Ras-related protein Rab-1A, ... | 著者 | Zhu, Y, Shao, F. | 登録日 | 2009-12-10 | 公開日 | 2009-12-22 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structural mechanism of host Rab1 activation by the bifunctional Legionella type IV effector SidM/DrrA Proc.Natl.Acad.Sci.USA, 107, 2010
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3L0M
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3PPV
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![BU of 3ppv by Molmil](/molmil-images/mine/3ppv) | Crystal structure of an engineered VWF A2 domain (N1493C and C1670S) | 分子名称: | CALCIUM ION, SULFATE ION, von Willebrand factor | 著者 | Zhou, M, Dong, X, Zhong, C, Ding, J. | 登録日 | 2010-11-25 | 公開日 | 2011-05-04 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13 Blood, 117, 2011
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3PPX
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![BU of 3ppx by Molmil](/molmil-images/mine/3ppx) | Crystal structure of the N1602A mutant of an engineered VWF A2 domain (N1493C and C1670S) | 分子名称: | SODIUM ION, von Willebrand factor | 著者 | Zhou, M, Dong, X, Zhong, C, Ding, J. | 登録日 | 2010-11-25 | 公開日 | 2011-05-04 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13 Blood, 117, 2011
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6KKI
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6KKL
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![BU of 6kkl by Molmil](/molmil-images/mine/6kkl) | Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward conformation (H115N mutant) | 分子名称: | Sugar efflux transporter, nonyl beta-D-glucopyranoside | 著者 | Xiao, Q.J, Sun, B, Zuo, Y.X, Guo, L, He, J.H, Deng, D. | 登録日 | 2019-07-26 | 公開日 | 2020-07-29 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.654 Å) | 主引用文献 | Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state. Biochem.Biophys.Res.Commun., 534, 2021
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