6TAN
| X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 17) | 分子名称: | 7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-2,6-naphthyridin-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Hillig, R.C, Eis, K, Badock, V. | 登録日 | 2019-10-30 | 公開日 | 2020-04-08 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C. Chemmedchem, 15, 2020
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6RFC
| Crystal structure of the potassium-pumping G263F mutant of the light-driven sodium pump KR2 in the monomeric form, pH 4.3 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, GLYCEROL, ... | 著者 | Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. | 登録日 | 2019-04-12 | 公開日 | 2019-04-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure and mechanisms of sodium-pumping KR2 rhodopsin. Sci Adv, 5, 2019
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3NHG
| RB69 DNA Polymerase (S565G/Y567A) Ternary Complex with dTTP Opposite dG | 分子名称: | CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), DNA (5'-D(*TP*CP*AP*GP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3'), ... | 著者 | Wang, M, Wang, J, Konigsberg, W.H. | 登録日 | 2010-06-14 | 公開日 | 2011-01-26 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Variation in Mutation Rates Caused by RB69pol Fidelity Mutants Can Be Rationalized on the Basis of Their Kinetic Behavior and Crystal Structures. J.Mol.Biol., 406, 2011
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6RF0
| Crystal structure of the light-driven sodium pump KR2 in the pentameric "dry" form | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ... | 著者 | Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. | 登録日 | 2019-04-12 | 公開日 | 2019-04-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structure and mechanisms of sodium-pumping KR2 rhodopsin. Sci Adv, 5, 2019
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3NQV
| Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R5 7/4A | 分子名称: | BENZAMIDINE, deoxyribose phosphate aldolase | 著者 | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | 登録日 | 2010-06-29 | 公開日 | 2011-02-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
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6GDL
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3OEI
| Crystal structure of Mycobacterium tuberculosis RelJK (Rv3357-Rv3358-RelBE3) | 分子名称: | CITRATE ANION, RelJ (Antitoxin Rv3357), RelK (Toxin Rv3358) | 著者 | Miallau, L, Cascio, D, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2010-08-12 | 公開日 | 2011-03-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.145 Å) | 主引用文献 | Comparative proteomics identifies the cell-associated lethality of M. tuberculosis RelBE-like toxin-antitoxin complexes. Structure, 21, 2013
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3NE6
| RB69 DNA Polymerase (S565G/Y567A) Ternary Complex with dCTP Opposite dG | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), ... | 著者 | Wang, M, Wang, J, Konigsberg, W.H. | 登録日 | 2010-06-08 | 公開日 | 2011-01-26 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | Variation in Mutation Rates Caused by RB69pol Fidelity Mutants Can Be Rationalized on the Basis of Their Kinetic Behavior and Crystal Structures. J.Mol.Biol., 406, 2011
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3NGI
| RB69 DNA Polymerase (Y567A) Ternary Complex with dTTP Opposite dG | 分子名称: | CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), DNA (5'-D(*TP*CP*AP*GP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3'), ... | 著者 | Wang, M, Wang, J, Konigsberg, W.H. | 登録日 | 2010-06-11 | 公開日 | 2011-01-26 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.886 Å) | 主引用文献 | Variation in Mutation Rates Caused by RB69pol Fidelity Mutants Can Be Rationalized on the Basis of Their Kinetic Behavior and Crystal Structures. J.Mol.Biol., 406, 2011
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5VOS
| VGSNKGAIIGL from Amyloid Beta determined by MicroED | 分子名称: | Amyloid beta A4 protein | 著者 | Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S, Griner, S.L, Gonen, T. | 登録日 | 2017-05-03 | 公開日 | 2018-01-03 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.42 Å) | 主引用文献 | Common fibrillar spines of amyloid-beta and human islet amyloid polypeptide revealed by microelectron diffraction and structure-based inhibitors. J. Biol. Chem., 293, 2018
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3AIT
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4FAF
| Substrate CA/p2 in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant | 分子名称: | HIV-1 protease, substrate CA/p2 peptide | 著者 | Wang, Y, Dewdney, T.G, Liu, Z, Reiter, S.J, Brunzelle, J.S, Kovari, I.A, Kovari, L.C. | 登録日 | 2012-05-22 | 公開日 | 2012-08-29 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease. Biology (Basel), 1, 2012
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5AD3
| Bivalent binding to BET bromodomains | 分子名称: | 3-methoxy-N-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, BROMODOMAIN-CONTAINING PROTEIN 4 | 著者 | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | 登録日 | 2015-08-19 | 公開日 | 2016-09-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Potent and Selective Bivalent Inhibitors of Bet Bromodomains Nat.Chem.Biol., 12, 2016
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5AEI
| Designed Armadillo repeat protein YIIIM5AII in complex with peptide (KR)5 | 分子名称: | ACETATE ION, CALCIUM ION, DESIGNED ARMADILLO REPEAT PROTEIN YIIIM5AII, ... | 著者 | Hansen, S, Tremmel, D, Madhurantakam, C, Reichen, C, Mittl, P, Plueckthun, A. | 登録日 | 2015-08-31 | 公開日 | 2016-03-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Structure and Energetic Contributions of a Designed Modular Peptide-Binding Protein with Picomolar Affinity. J.Am.Chem.Soc., 138, 2016
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5A2V
| Crystal structure of mtPAP in Apo form | 分子名称: | CHLORIDE ION, MITOCHONDRIAL PROTEIN | 著者 | Lapkouski, M, Hallberg, B.M. | 登録日 | 2015-05-26 | 公開日 | 2015-09-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structure of Mitochondrial Poly(A) RNA Polymerase Reveals the Structural Basis for Dimerization, ATP Selectivity and the Spax4 Disease Phenotype. Nucleic Acids Res., 43, 2015
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4XGC
| Crystal structure of the eukaryotic origin recognition complex | 分子名称: | CHLORIDE ION, Origin recognition complex subunit 1, Origin recognition complex subunit 2, ... | 著者 | Bleichert, F, Botchan, M.R, Berger, J.M. | 登録日 | 2014-12-30 | 公開日 | 2015-04-01 | 最終更新日 | 2019-12-04 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Crystal structure of the eukaryotic origin recognition complex. Nature, 519, 2015
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5A30
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5A2Z
| Crystal structure of mtPAP in complex with GTP | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MITOCHONDRIAL PROTEIN | 著者 | Lapkouski, M, Hallberg, B.M. | 登録日 | 2015-05-26 | 公開日 | 2015-09-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structure of Mitochondrial Poly(A) RNA Polymerase Reveals the Structural Basis for Dimerization, ATP Selectivity and the Spax4 Disease Phenotype. Nucleic Acids Res., 43, 2015
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2LFW
| NMR structure of the PhyRSL-NepR complex from Sphingomonas sp. Fr1 | 分子名称: | NepR anti sigma factor, PhyR sigma-like domain | 著者 | Campagne, S, Damberger, F.F, Vorholt, J.A, Allain, F.H.-T. | 登録日 | 2011-07-18 | 公開日 | 2012-04-25 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural basis for sigma factor mimicry in the general stress response of Alphaproteobacteria. Proc.Natl.Acad.Sci.USA, 109, 2012
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8GD7
| Loop Deleted DNA Polymerase Theta Polymerase Domain in Complex with Double Strand DNA Overhang and Inhibitor | 分子名称: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate, DNA Primer, ... | 著者 | Fried, W.A, Chen, X.S, Li, S.X. | 登録日 | 2023-03-03 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (3.24 Å) | 主引用文献 | Discovery of a small-molecule inhibitor that traps Pol theta on DNA and synergizes with PARP inhibitors. Nat Commun, 15, 2024
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5A2X
| Crystal structure of mtPAP in complex with CTP | 分子名称: | CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MITOCHONDRIAL PROTEIN | 著者 | Lapkouski, M, Hallberg, B.M. | 登録日 | 2015-05-26 | 公開日 | 2015-09-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structure of Mitochondrial Poly(A) RNA Polymerase Reveals the Structural Basis for Dimerization, ATP Selectivity and the Spax4 Disease Phenotype. Nucleic Acids Res., 43, 2015
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5AMP
| Geotrichum candidum Cel7A apo structure at 2.1A | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE I, ... | 著者 | Borisova, A.S, Stahlberg, J. | 登録日 | 2015-03-11 | 公開日 | 2015-09-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase Cel7A from Geotrichum Candidum 3C. FEBS J., 282, 2015
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4XGM
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4XFO
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4XJE
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