4YPC
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6G0H
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6G4F
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5HNE
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![BU of 5hne by Molmil](/molmil-images/mine/5hne) | X-RAY CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 2-ARYL BENZIMIDAZOLE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR | 分子名称: | 1,2-ETHANEDIOL, 1-[(1R,3S)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-N-methyl-2-(pyridin-2-yl)-1H-benzimidazole-5-carboxamide, Branched-chain-amino-acid aminotransferase, ... | 著者 | Somers, D.O. | 登録日 | 2016-01-18 | 公開日 | 2016-05-04 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors. Acs Med.Chem.Lett., 7, 2016
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8J6K
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![BU of 8j6k by Molmil](/molmil-images/mine/8j6k) | Crystal structure of pro-interleukin-18 and caspase-4 complex | 分子名称: | Arginine ADP-riboxanase OspC3, Caspase-4 subunit p10, Caspase-4 subunit p20, ... | 著者 | Sun, Q, Hou, Y.J, Ding, J. | 登録日 | 2023-04-26 | 公開日 | 2023-11-29 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.12 Å) | 主引用文献 | Recognition and maturation of IL-18 by caspase-4 noncanonical inflammasome. Nature, 624, 2023
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4JYT
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![BU of 4jyt by Molmil](/molmil-images/mine/4jyt) | Crystal Structure of Matriptase in complex with Inhibitor | 分子名称: | 4,4'-[{3-[(naphthalen-2-ylsulfonyl)amino]pyridine-2,6-diyl}bis(oxy)]dibenzenecarboximidamide, Suppressor of tumorigenicity 14 protein | 著者 | Subramanya, H.S, Ravi, B.C, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S. | 登録日 | 2013-04-01 | 公開日 | 2014-03-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors ACS MED.CHEM.LETT., 4, 2013
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3BA1
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![BU of 3ba1 by Molmil](/molmil-images/mine/3ba1) | Structure of hydroxyphenylpyruvate reductase from coleus blumei | 分子名称: | Hydroxyphenylpyruvate reductase | 著者 | Janiak, V, Klebe, G, Petersen, M, Heine, A. | 登録日 | 2007-11-07 | 公開日 | 2008-11-11 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Structure and substrate docking of a hydroxy(phenyl)pyruvate reductase from the higher plant Coleus blumei Benth. Acta Crystallogr.,Sect.D, 66, 2010
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6WS5
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![BU of 6ws5 by Molmil](/molmil-images/mine/6ws5) | Rational drug design of phenazopyridine derivatives as novel inhibitors of Rev1-CT | 分子名称: | 3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine, DNA polymerase zeta catalytic subunit, DNA repair protein REV1, ... | 著者 | McPherson, K.S, Korzhnev, D.M. | 登録日 | 2020-04-30 | 公開日 | 2020-12-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.472 Å) | 主引用文献 | Structure-Based Drug Design of Phenazopyridine Derivatives as Inhibitors of Rev1 Interactions in Translesion Synthesis. Chemmedchem, 16, 2021
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4JZ1
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![BU of 4jz1 by Molmil](/molmil-images/mine/4jz1) | Crystal Structure of Matriptase in complex with Inhibitor | 分子名称: | 4,4'-[(3-{[(4-fluorophenyl)sulfonyl]amino}pyridine-2,6-diyl)bis(oxy)]dibenzenecarboximidamide, Suppressor of tumorigenicity 14 protein | 著者 | Subramanya, H.S, Ravi, B.C, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S. | 登録日 | 2013-04-02 | 公開日 | 2014-02-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors ACS MED.CHEM.LETT., 4, 2013
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6BTL
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![BU of 6btl by Molmil](/molmil-images/mine/6btl) | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor RD117 1-[2-(Piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole | 分子名称: | 1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Bryson, S, De Gasparo, R, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | 登録日 | 2017-12-06 | 公開日 | 2018-06-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.797 Å) | 主引用文献 | Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma. ChemMedChem, 13, 2018
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6GCK
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![BU of 6gck by Molmil](/molmil-images/mine/6gck) | Trypanosoma brucei PTR1 in complex with inhibitor 1e (F206) | 分子名称: | 4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Pozzi, C, Landi, G, Mangani, S. | 登録日 | 2018-04-18 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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4YHL
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![BU of 4yhl by Molmil](/molmil-images/mine/4yhl) | Reversal Agent for Dabigatran | 分子名称: | aDabi-Fab2b heavy chain, aDabi-Fab2b light chain | 著者 | Schiele, F, Nar, H. | 登録日 | 2015-02-27 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Structure-guided residence time optimization of a dabigatran reversal agent. Mabs, 7, 2015
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6TB1
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![BU of 6tb1 by Molmil](/molmil-images/mine/6tb1) | Crystal structure of thermostable omega transaminase 6-fold mutant from Pseudomonas jessenii | 分子名称: | Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B. | 登録日 | 2019-10-31 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Robust omega-Transaminases by Computational Stabilization of the Subunit Interface. Acs Catalysis, 10, 2020
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3BGB
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![BU of 3bgb by Molmil](/molmil-images/mine/3bgb) | HIV-1 protease in complex with a isobutyl decorated oligoamine | 分子名称: | CHLORIDE ION, N,N'-(iminodiethane-2,1-diyl)bis[4-amino-N-(2-methylpropyl)benzenesulfonamide], Protease | 著者 | Boettcher, J, Blum, A, Sammet, B, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2007-11-26 | 公開日 | 2008-09-02 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Achiral oligoamines as versatile tool for the development of aspartic protease inhibitors Bioorg.Med.Chem., 16, 2008
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2OK3
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![BU of 2ok3 by Molmil](/molmil-images/mine/2ok3) | X-ray structure of human cyclophilin J at 2.0 angstrom | 分子名称: | NICKEL (II) ION, Peptidyl-prolyl cis-trans isomerase-like 3 | 著者 | Xia, Z. | 登録日 | 2007-01-15 | 公開日 | 2008-01-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Targeting Cyclophilin J, a novel peptidyl-prolyl isomerase, can induce cellular G1/S arrest and repress the growth of Hepatocellular carcinoma To be Published
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6CFY
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![BU of 6cfy by Molmil](/molmil-images/mine/6cfy) | Bosea sp Root 381 apo GapR structure | 分子名称: | UPF0335 protein ASE63_04290 | 著者 | Schumacherr, M.A. | 登録日 | 2018-02-18 | 公開日 | 2018-09-12 | 最終更新日 | 2018-10-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A Bacterial Chromosome Structuring Protein Binds Overtwisted DNA to Stimulate Type II Topoisomerases and Enable DNA Replication. Cell, 175, 2018
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5HH6
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5HIB
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6TMB
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8XV9
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![BU of 8xv9 by Molmil](/molmil-images/mine/8xv9) | Fedratinib-bound human SLC19A3 | 分子名称: | N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide, Soluble cytochrome b562,Thiamine transporter 2 | 著者 | Dang, Y, Wang, G.P, Zhang, Z. | 登録日 | 2024-01-14 | 公開日 | 2024-03-27 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Substrate and drug recognition mechanisms of SLC19A3. Cell Res., 34, 2024
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8J45
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![BU of 8j45 by Molmil](/molmil-images/mine/8j45) | Crystal structure of a Pichia pastoris-expressed IsPETase variant | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Poly(ethylene terephthalate) hydrolase | 著者 | Li, X, He, H.L, Long, X, Niu, D, Huang, J.-W, Chen, C.-C, Guo, R.-T. | 登録日 | 2023-04-19 | 公開日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Complete decomposition of poly(ethylene terephthalate) by crude PET hydrolytic enzyme produced in Pichia pastoris Chem Eng J, 2023
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3BLU
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![BU of 3blu by Molmil](/molmil-images/mine/3blu) | crystal structure YopH complexed with inhibitor PVS | 分子名称: | (ethenylsulfonyl)benzene, Tyrosine-protein phosphatase yopH | 著者 | Liu, S, Zhang, Z.-Y. | 登録日 | 2007-12-11 | 公開日 | 2008-10-21 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Aryl vinyl sulfonates and sulfones as active site-directed and mechanism-based probes for protein tyrosine phosphatases J.Am.Chem.Soc., 130, 2008
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6CG8
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![BU of 6cg8 by Molmil](/molmil-images/mine/6cg8) | Structure of C. crescentus GapR-DNA | 分子名称: | DNA (5'-D(*TP*TP*AP*AP*AP*AP*TP*TP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*AP*TP*TP*TP*TP*AP*A)-3'), UPF0335 protein B7Z12_12435 | 著者 | Schumacher, M.A. | 登録日 | 2018-02-19 | 公開日 | 2018-09-26 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | 主引用文献 | A Bacterial Chromosome Structuring Protein Binds Overtwisted DNA to Stimulate Type II Topoisomerases and Enable DNA Replication. Cell, 175, 2018
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6BU7
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![BU of 6bu7 by Molmil](/molmil-images/mine/6bu7) | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor RD130 1-[2-(Piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole | 分子名称: | 1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Bryson, S, De Gasparo, R, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | 登録日 | 2017-12-08 | 公開日 | 2018-06-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma. ChemMedChem, 13, 2018
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6GK5
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![BU of 6gk5 by Molmil](/molmil-images/mine/6gk5) | |