6LP7
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![BU of 6lp7 by Molmil](/molmil-images/mine/6lp7) | Crystal structure of human DHODH in complex with inhibitor 0944 | Descriptor: | 3-[3,5-bis(fluoranyl)-4-(3-methoxyphenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Chen, Q, Yu, Y. | Deposit date: | 2020-01-09 | Release date: | 2020-09-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | 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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6LZN
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![BU of 6lzn by Molmil](/molmil-images/mine/6lzn) | Thermolysin | Descriptor: | CALCIUM ION, GLYCEROL, ISOLEUCINE, ... | Authors: | Nam, K.H. | Deposit date: | 2020-02-19 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural analysis of metal chelation of the metalloproteinase thermolysin by 1,10-phenanthroline. J.Inorg.Biochem., 215, 2021
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6LPM
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4W7H
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![BU of 4w7h by Molmil](/molmil-images/mine/4w7h) | Crystal Structure of DEH Reductase A1-R Mutant | Descriptor: | Carbonyl reductase | Authors: | Takase, R, Mikami, B, Kawai, S, Murata, K, Hashimoto, W. | Deposit date: | 2014-08-22 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Structure-based Conversion of the Coenzyme Requirement of a Short-chain Dehydrogenase/Reductase Involved in Bacterial Alginate Metabolism. J.Biol.Chem., 289, 2014
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6LQ6
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6M8Z
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![BU of 6m8z by Molmil](/molmil-images/mine/6m8z) | Crystal structure of human DJ-1 without a modification on Cys-106 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | Authors: | Shumilin, I.A, Shabalin, I.G, Shumilina, S.V, Werenskjold, C, Utepbergenov, D, Minor, W. | Deposit date: | 2018-08-22 | Release date: | 2018-09-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | A transient post-translational modification of active site cysteine alters binding properties of the parkinsonism protein DJ-1. Biochem. Biophys. Res. Commun., 504, 2018
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4W8D
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![BU of 4w8d by Molmil](/molmil-images/mine/4w8d) | Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06454589). | Descriptor: | 5-(1-methyl-1H-pyrazol-4-yl)-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine, Serine/threonine-protein kinase 24 36 kDa subunit | Authors: | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | Deposit date: | 2014-08-24 | Release date: | 2015-03-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J.Med.Chem., 58, 2015
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4GY1
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4W8J
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![BU of 4w8j by Molmil](/molmil-images/mine/4w8j) | Structure of the full-length insecticidal protein Cry1Ac reveals intriguing details of toxin packaging into in vivo formed crystals | Descriptor: | CALCIUM ION, POTASSIUM ION, Pesticidal crystal protein cry1Ac | Authors: | Evdokimov, A.G, Moshiri, F, Sturman, E.J, Rydel, T.J, Zheng, M, Seale, J.W, Franklin, S. | Deposit date: | 2014-08-25 | Release date: | 2014-09-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structure of the full-length insecticidal protein Cry1Ac reveals intriguing details of toxin packaging into in vivo formed crystals. Protein Sci., 23, 2014
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4W8W
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6LKI
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![BU of 6lki by Molmil](/molmil-images/mine/6lki) | Two-component system protein mediate signal transduction | Descriptor: | ABC transporter, solute-binding protein, MALONIC ACID, ... | Authors: | Wang, M, Tao, Y. | Deposit date: | 2019-12-19 | Release date: | 2020-12-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.781 Å) | Cite: | Interface switch mediates signal transmission in a two-component system. Proc.Natl.Acad.Sci.USA, 117, 2020
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4UXS
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![BU of 4uxs by Molmil](/molmil-images/mine/4uxs) | Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN-3 MOTOR DOMAIN, ... | Authors: | Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C. | Deposit date: | 2014-08-27 | Release date: | 2014-09-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins. Elife, 3, 2014
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4PSE
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![BU of 4pse by Molmil](/molmil-images/mine/4pse) | Trichoderma reesei cutinase in complex with a C11Y4 phosphonate inhibitor | Descriptor: | Carbohydrate esterase family 5, UNDECYL-PHOSPHINIC ACID BUTYL ESTER, octyl beta-D-glucopyranoside | Authors: | Roussel, A, Amara, S, Nyyssola, A, Mateos-Diaz, E, Blangy, S, Kontkanen, H, Westerholm-Parvinen, A, Carriere, F, Cambillau, C. | Deposit date: | 2014-03-07 | Release date: | 2014-09-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | A Cutinase from Trichoderma reesei with a Lid-Covered Active Site and Kinetic Properties of True Lipases. J.Mol.Biol., 426, 2014
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4UY1
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![BU of 4uy1 by Molmil](/molmil-images/mine/4uy1) | Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors | Descriptor: | 5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sandmark, J, Oster, L, Hallberg, K, Bodin, C, Chen, H. | Deposit date: | 2014-08-28 | Release date: | 2014-10-15 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a Novel Pyrazole Series of Group X Secreted Phospholipase A2 Inhibitor (Spla2X) Via Fragment Based Virtual Screening Bioorg.Med.Chem.Lett., 24, 2014
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4WAI
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![BU of 4wai by Molmil](/molmil-images/mine/4wai) | Structural characterization of the late competence protein ComFB from Bacillus subtilis. | Descriptor: | ComF operon protein 2, ZINC ION | Authors: | Sysoeva, T.A, Bane, L.B, Xiao, D, Gaudet, R, Burton, B.M. | Deposit date: | 2014-08-29 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.427 Å) | Cite: | Structural characterization of the late competence protein ComFB from Bacillus subtilis. Biosci.Rep., 35, 2015
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4V0X
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![BU of 4v0x by Molmil](/molmil-images/mine/4v0x) | The crystal structure of mouse PP1G in complex with truncated human PPP1R15B (631-684) | Descriptor: | MANGANESE (II) ION, PROTEIN PHOSPHATASE 1 REGULATORY SUBUNIT 15B, PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT | Authors: | Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J. | Deposit date: | 2014-09-18 | Release date: | 2015-03-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases. Elife, 4, 2015
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4WBF
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![BU of 4wbf by Molmil](/molmil-images/mine/4wbf) | Acinetobacter baumannii SDF NDK | Descriptor: | Nucleoside diphosphate kinase | Authors: | Hu, Y, Liu, Y. | Deposit date: | 2014-09-03 | Release date: | 2015-06-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural and Functional Characterization of Acinetobacter baumannii Nucleoside Diphosphate Kinase Prog.Biochem.Biophys., 42, 2015
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6LVS
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4WBQ
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![BU of 4wbq by Molmil](/molmil-images/mine/4wbq) | Crystal structure of the exonuclease domain of QIP (QDE-2 interacting protein) solved by native-SAD phasing. | Descriptor: | CALCIUM ION, QDE-2-interacting protein | Authors: | Boland, A, Weinert, T, Weichenrieder, O, Wang, M. | Deposit date: | 2014-09-03 | Release date: | 2014-12-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.693 Å) | Cite: | Fast native-SAD phasing for routine macromolecular structure determination. Nat.Methods, 12, 2015
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6LPA
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![BU of 6lpa by Molmil](/molmil-images/mine/6lpa) | The nsp1 protein of a new porcine coronavirus | Descriptor: | sp1 protein | Authors: | Shen, Z, Peng, G.Q. | Deposit date: | 2020-01-09 | Release date: | 2020-08-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.105 Å) | Cite: | Structural and Biological Basis of Alphacoronavirus nsp1 Associated with Host Proliferation and Immune Evasion. Viruses, 12, 2020
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4WCD
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![BU of 4wcd by Molmil](/molmil-images/mine/4wcd) | Trypanosoma brucei PTR1 in complex with inhibitor 10 | Descriptor: | 5-(1H-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine, ACETATE ION, GLYCEROL, ... | Authors: | Mangani, S, Di Pisa, F, Pozzi, C. | Deposit date: | 2014-09-04 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery. ACS Omega, 2, 2017
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6LQ1
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4WD8
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6M03
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![BU of 6m03 by Molmil](/molmil-images/mine/6m03) | The crystal structure of COVID-19 main protease in apo form | Descriptor: | 3C-like proteinase | Authors: | Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Rao, Z. | Deposit date: | 2020-02-19 | Release date: | 2020-03-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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4URU
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![BU of 4uru by Molmil](/molmil-images/mine/4uru) | The crystal structure of H-Ras and SOS in complex with ligands | Descriptor: | 4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | Authors: | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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