6FII
 
 | | Tubulin-Spongistatin complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | 著者 | Menchon, G, Prota, A.E, Lucena Angell, D, Bucher, P, Mueller, R, Paterson, I, Diaz, J.F, Altmann, K.-H, Steinmetz, M.O. | | 登録日 | 2018-01-18 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.405 Å) | | 主引用文献 | A fluorescence anisotropy assay to discover and characterize ligands targeting the maytansine site of tubulin.
Nat Commun, 9, 2018
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4MH6
 | | 2.8 Angstrom Crystal Structure of Type III Secretion Protein YscO from Vibrio parahaemolyticus | | 分子名称: | PHOSPHATE ION, Putative type III secretion protein YscO | | 著者 | Minasov, G, Wawrzak, Z, Shuvalova, L, Winsor, J, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2013-08-29 | | 公開日 | 2013-09-11 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | 2.8 Angstrom Crystal Structure of Type III Secretion Protein YscO from Vibrio parahaemolyticus.
TO BE PUBLISHED
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1HB0
 | | Snapshots of serine protease catalysis: (D) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 10 for 2 minutes | | 分子名称: | CALCIUM ION, ELASTASE 1, SULFATE ION | | 著者 | Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J. | | 登録日 | 2001-04-10 | | 公開日 | 2001-08-02 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
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6FJ1
 | | Structure of the Ldtfm-avibactam carbamoyl enzyme | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 3,6,9,12,15-PENTAOXAHEPTADECANE, CHLORIDE ION, ... | | 著者 | Li de la Sierra Gallay, I, Iannazzo, L, Compain, F, Fonvielle, M, van Tilbeurgh, H, Edoo, Z, Arthur, M, Etheve-Quelquejeu, M, Hugonnet, J. | | 登録日 | 2018-01-19 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Synthesis of Avibactam Derivatives and Activity on beta-Lactamases and Peptidoglycan Biosynthesis Enzymes of Mycobacteria.
Chemistry, 24, 2018
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4WEI
 | | Crystal structure of the F4 fimbrial adhesin FaeG in complex with lactose | | 分子名称: | K88 fimbrial protein AD, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Moonens, K, Van den Broeck, I, De Kerpel, M, Deboeck, F, Raymaekers, H, Remaut, H, De Greve, H. | | 登録日 | 2014-09-10 | | 公開日 | 2015-02-04 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural and Functional Insight into the Carbohydrate Receptor Binding of F4 Fimbriae-producing Enterotoxigenic Escherichia coli.
J.Biol.Chem., 290, 2015
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6FFW
 | | Phosphotriesterase PTE_A53_5 | | 分子名称: | (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | | 登録日 | 2018-01-09 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.495 Å) | | 主引用文献 | Phosphotriesterase
PTE_A53_5
To Be Published
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4UV0
 | | Structure of a semisynthetic phosphorylated DAPK | | 分子名称: | DEATH-ASSOCIATED PROTEIN KINASE 1, TRIETHYLENE GLYCOL | | 著者 | de Diego, I, Rios, P, Meyer, C, Koehn, M, Wilmanns, M. | | 登録日 | 2014-08-01 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Molecular Mechanisms Behind Dapk Regulation: How the Phosphorylation Activity Switch Works
To be Published
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6FJF
 | | Tubulin-FcMaytansine complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Menchon, G, Prota, A.E, Lucena Angell, D, Bucher, P, Mueller, R, Paterson, I, Diaz, J.F, Altmann, K.-H, Steinmetz, M.O. | | 登録日 | 2018-01-22 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | | 主引用文献 | A fluorescence anisotropy assay to discover and characterize ligands targeting the maytansine site of tubulin.
Nat Commun, 9, 2018
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2AEF
 | | Crystal Structures of the MthK RCK Domain in Ca2+ bound form | | 分子名称: | CALCIUM ION, Calcium-gated potassium channel mthK | | 著者 | Dong, J, Shi, N, Berke, I, Chen, L, Jiang, Y. | | 登録日 | 2005-07-22 | | 公開日 | 2005-10-25 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structures of the MthK RCK Domain and the Effect of Ca2+ on Gating Ring Stability
J.Biol.Chem., 280, 2005
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210L
 | | PROTEIN STRUCTURE PLASTICITY EXEMPLIFIED BY INSERTION AND DELETION MUTANTS IN T4 LYSOZYME | | 分子名称: | 2-HYDROXYETHYL DISULFIDE, T4 LYSOZYME | | 著者 | Vetter, I.R, Baase, W.A, Heinz, D.W, Xiong, J.-P, Snow, S, Matthews, B.W. | | 登録日 | 1996-09-23 | | 公開日 | 1996-12-23 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Protein structural plasticity exemplified by insertion and deletion mutants in T4 lysozyme.
Protein Sci., 5, 1996
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1H5D
 | | X-ray induced reduction of horseradish peroxidase C1A Compound III (0-11% dose) | | 分子名称: | ACETATE ION, CALCIUM ION, PEROXIDASE C1A, ... | | 著者 | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | | 登録日 | 2001-05-21 | | 公開日 | 2002-05-27 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The Catalytic Pathway of Horseradish Peroxidase at High Resolution
Nature, 417, 2002
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274D
 | | CRYSTAL STRUCTURE OF A COVALENT DNA-DRUG ADDUCT: ANTHRAMYCIN BOUND TO C-C-A-A-C-G-T-T-G-G, AND A MOLECULAR EXPLANATION OF SPECIFICITY | | 分子名称: | ANTHRAMYCIN, DNA (5'-D(*CP*CP*AP*AP*CP*GP*TP*TP*(DRUG)GP*G)-3') | | 著者 | Kopka, M.L, Goodsell, D.S, Baikalov, I, Grzeskowiak, K, Cascio, D, Dickerson, R.E. | | 登録日 | 1994-04-28 | | 公開日 | 1994-10-21 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of a covalent DNA-drug adduct: anthramycin bound to C-C-A-A-C-G-T-T-G-G and a molecular explanation of specificity.
Biochemistry, 33, 1994
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2A0C
 | | Human CDK2 in complex with olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor | | 分子名称: | 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL, Cell division protein kinase 2 | | 著者 | Krystof, V, McNae, I.W, Walkinshaw, M.D, Fischer, P.M, Muller, P, Vojtesek, B, Orsag, M, Havlicek, L, Strnad, M. | | 登録日 | 2005-06-16 | | 公開日 | 2006-01-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Antiproliferative activity of olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor
Cell.Mol.Life Sci., 62, 2005
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6PNP
 | | Crystal structure of the splice insert-free neurexin-1 LNS2 domain in complex with neurexophilin-1 | | 分子名称: | Neurexin-1, Neurexophilin-1 | | 著者 | Wilson, S.C, White, K.I, Zhou, Q, Brunger, A.T. | | 登録日 | 2019-07-02 | | 公開日 | 2019-10-09 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Structures of neurexophilin-neurexin complexes reveal a regulatory mechanism of alternative splicing.
Embo J., 38, 2019
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1GSD
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4UTS
 | | Room temperature crystal structure of the fast switching M159T mutant of fluorescent protein Dronpa | | 分子名称: | FLUORESCENT PROTEIN DRONPA | | 著者 | Kaucikas, M, Fitzpatrick, A, Bryan, E, Struve, A, Henning, R, Kosheleva, I, Srajer, V, van Thor, J.J. | | 登録日 | 2014-07-22 | | 公開日 | 2015-06-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Room Temperature Crystal Structure of the Fast Switching M159T Mutant of the Fluorescent Protein Dronpa.
Proteins, 83, 2015
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6FLD
 | | Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 1 | | 分子名称: | 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol, ... | | 著者 | De la Mora, E, Santoni, G, de Souza, J, Sussman, J, Silman, I, Baati, R, Weik, M, Nachon, F. | | 登録日 | 2018-01-25 | | 公開日 | 2018-08-29 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
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1GPK
 | | Structure of Acetylcholinesterase Complex with (+)-Huperzine A at 2.1A Resolution | | 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, ACETYLCHOLINESTERASE, ... | | 著者 | Dvir, H, Harel, M, Chetrit, M, Silman, I, Sussman, J.L. | | 登録日 | 2001-11-05 | | 公開日 | 2002-08-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | X-Ray Structures of Torpedo Californica Acetylcholinesterase Complexed with (+)-Huperzine a and (-)-Huperzine B: Structural Evidence for an Active Site Rearrangement
Biochemistry, 41, 2002
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6P5P
 | | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Anti-Tumor Agent | | 分子名称: | 2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one, Rho-associated protein kinase 2 | | 著者 | Hoffman, I.D, Skene, R.J. | | 登録日 | 2019-05-30 | | 公開日 | 2020-01-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 Inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Antitumor Agent.
J.Med.Chem., 63, 2020
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4MIV
 | | Crystal Structure of Sulfamidase, Crystal Form L | | 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, CALCIUM ION, ... | | 著者 | Sidhu, N.S, Uson, I, Schreiber, K, Proepper, K, Becker, S, Sheldrick, G.M, Gaertner, J, Kraetzner, R, Steinfeld, R. | | 登録日 | 2013-09-02 | | 公開日 | 2014-05-14 | | 最終更新日 | 2021-06-02 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure of sulfamidase provides insight into the molecular pathology of mucopolysaccharidosis IIIA.
Acta Crystallogr.,Sect.D, 70, 2014
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2AAD
 | | THE ROLE OF HISTIDINE-40 IN RIBONUCLEASE T1 CATALYSIS: THREE-DIMENSIONAL STRUCTURES OF THE PARTIALLY ACTIVE HIS40LYS MUTANT | | 分子名称: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE T1 ISOZYME | | 著者 | Zegers, I, Verhelst, P, Choe, C.W, Steyaert, J, Heinemann, U, Wyns, L, Saenger, W. | | 登録日 | 1992-09-15 | | 公開日 | 1994-01-31 | | 最終更新日 | 2017-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Role of histidine-40 in ribonuclease T1 catalysis: three-dimensionalstructures of the partially active His40Lys mutant.
Biochemistry, 31, 1992
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2ADV
 | | Crystal Structures Of Glutaryl 7-Aminocephalosporanic Acid Acylase: mutational study of activation mechanism | | 分子名称: | Glutaryl 7- Aminocephalosporanic Acid Acylase | | 著者 | Kim, J.K, Yang, I.S, Shin, H.J, Cho, K.J, Ryu, E.K, Kim, S.H, Park, S.S, Kim, K.H. | | 登録日 | 2005-07-21 | | 公開日 | 2006-01-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.244 Å) | | 主引用文献 | Insight into autoproteolytic activation from the structure of cephalosporin acylase: a protein with two proteolytic chemistries.
Proc.Natl.Acad.Sci.USA, 103, 2006
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1H5C
 | | X-ray induced reduction of horseradish peroxidase C1A Compound III (100-200% dose) | | 分子名称: | ACETATE ION, CALCIUM ION, PEROXIDASE C1A, ... | | 著者 | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | | 登録日 | 2001-05-21 | | 公開日 | 2002-06-18 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | The Catalytic Pathway of Horseradish Peroxidase at High Resolution
Nature, 417, 2002
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2AFE
 | | Solution Structure of Asl1650, an Acyl Carrier Protein from Anabaena sp. PCC 7120 with a Variant Phosphopantetheinylation-Site Sequence | | 分子名称: | protein Asl1650 | | 著者 | Johnson, M.A, Peti, W, Herrmann, T, Wilson, I.A, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | | 登録日 | 2005-07-25 | | 公開日 | 2005-08-16 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of Asl1650, an acyl carrier protein from Anabaena sp. PCC 7120 with a variant phosphopantetheinylation-site sequence
Protein Sci., 15, 2006
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2AEM
 | | Crystal Structures of the MthK RCK Domain | | 分子名称: | Calcium-gated potassium channel mthK | | 著者 | Dong, J, Shi, N, Berke, I, Chen, L, Jiang, Y. | | 登録日 | 2005-07-22 | | 公開日 | 2005-10-25 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structures of the MthK RCK Domain and the Effect of Ca2+ on Gating Ring Stability
J.Biol.Chem., 280, 2005
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