PDB: 184427 件ウェブページステータス検索Chemie searchBIRD

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5RFP	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102190 分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide 著者 Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. 登録日 2020-03-15 公開日 2020-03-25 最終更新日 2021-02-24 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
4BA2	Archaeal exosome (Rrp4-Rrp41(D182A)-Rrp42) bound to inorganic phosphate 分子名称: 5'-R(*AP*AP*AP*AP)-3', PENTAETHYLENE GLYCOL, PHOSPHATE ION, ... 著者 Lorentzen, E, Conti, E. 登録日 2012-09-10 公開日 2012-10-03 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.501 Å) 主引用文献 Crystal Structure of a 9-Subunit Archaeal Exosome in Pre-Catalytic States of the Phosphorolytic Reaction. Archaea, 2012, 2012
5RGQ	PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1849009686 (Mpro-x1086) 分子名称: 1-(4-fluoro-2-methylphenyl)methanesulfonamide, 3C-like proteinase, DIMETHYL SULFOXIDE 著者 Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. 登録日 2020-04-07 公開日 2020-04-15 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
1USY	ATP phosphoribosyl transferase (HisG:HisZ) complex from Thermotoga maritima 分子名称: ATP PHOSPHORIBOSYLTRANSFERASE, ATP PHOSPHORIBOSYLTRANSFERASE REGULATORY SUBUNIT, HISTIDINE, ... 著者 Vega, M.C, Fernandez, F.J, Murphy, G.E, Zou, P, Popov, A, Wilmanns, M. 登録日 2003-12-01 公開日 2004-12-15 最終更新日 2014-09-10 実験手法 X-RAY DIFFRACTION (2.52 Å) 主引用文献 Regulation of the Hetero-Octameric ATP Phosphoribosyl Transferase Complex from Thermotoga Maritima by a tRNA Synthetase-Like Subunit. Mol.Microbiol., 55, 2005
354D	Structure of loop E FROM E. coli 5S RRNA 分子名称: MAGNESIUM ION, RNA (5'-R(*CP*CP*GP*AP*UP*GP*GP*UP*AP*GP*UP*G)-3'), RNA-DNA (5'-R(*GP*CP*GP*AP*GP*AP*GP*UP*AP*)-D(*DGP(S)*)-R(*GP*C)-3') 著者 Correll, C.C, Freeborn, B, Moore, P.B, Steitz, T.A. 登録日 1997-10-01 公開日 1997-11-26 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Metals, motifs, and recognition in the crystal structure of a 5S rRNA domain. Cell(Cambridge,Mass.), 91, 1997
4FAM	Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid (17) 分子名称: 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid, Aldo-keto reductase family 1 member C3, ... 著者 Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. 登録日 2012-05-22 公開日 2012-10-10 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3 J.Med.Chem., 55, 2012
4F1E	The Crystal Structure of a Human MitoNEET mutant with Asp 67 replaced by a Gly 分子名称: CDGSH iron-sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER 著者 Baxter, E.I, Zuris, J.A, Wang, C, Axelrod, H.L, Cohen, A.E, Paddock, M.L, Nechushtai, R, Onuchic, J.N, Jennings, P.A. 登録日 2012-05-06 公開日 2012-12-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Allosteric control in a metalloprotein dramatically alters function. Proc.Natl.Acad.Sci.USA, 110, 2013
4FAL	Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-methylbenzamide (80) 分子名称: 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide, Aldo-keto reductase family 1 member C3, ... 著者 Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. 登録日 2012-05-22 公開日 2012-10-10 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3 J.Med.Chem., 55, 2012
3BR1	Crystal Structure of the Complex of Dequalinium Bound to QacR(E90Q), a Mutant of a Multidrug Binding Transcriptional Repressor 分子名称: DEQUALINIUM, HTH-type transcriptional regulator qacR, SULFATE ION 著者 Brooks, B.E. 登録日 2007-12-20 公開日 2008-12-23 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (3.31 Å) 主引用文献 Formal electrostatic interactions do not govern QacR-cation affinity To be Published
3BR9	Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor 分子名称: (2R)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)propanamide, RNA-directed RNA polymerase 著者 Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. 登録日 2007-12-21 公開日 2008-12-23 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine. Bioorg.Med.Chem.Lett., 18, 2008
3BSC	Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor 分子名称: 5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one, RNA-directed RNA polymerase 著者 Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. 登録日 2007-12-23 公開日 2008-12-23 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine. Bioorg.Med.Chem.Lett., 18, 2008
1LDS	Crystal Structure of monomeric human beta-2-microglobulin 分子名称: SODIUM ION, beta-2-microglobulin 著者 Trinh, C.H, Smith, D.P, Kalverda, A.P, Phillips, S.E.V, Radford, S.E. 登録日 2002-04-09 公開日 2002-07-31 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of monomeric human beta-2-microglobulin reveals clues to its amyloidogenic properties. Proc.Natl.Acad.Sci.USA, 99, 2002
1L90	SIMILAR HYDROPHOBIC REPLACEMENTS OF LEU 99 AND PHE 153 WITHIN THE CORE OF T4 LYSOZYME HAVE DIFFERENT STRUCTURAL AND THERMODYNAMIC CONSEQUENCES 分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME 著者 Eriksson, A.E, Matthews, B.W. 登録日 1992-01-21 公開日 1993-10-31 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Similar hydrophobic replacements of Leu99 and Phe153 within the core of T4 lysozyme have different structural and thermodynamic consequences. J.Mol.Biol., 229, 1993
1HGF	BINDING OF INFLUENZA VIRUS HEMAGGLUTININ TO ANALOGS OF ITS CELL-SURFACE RECEPTOR, SIALIC ACID: ANALYSIS BY PROTON NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND X-RAY CRYSTALLOGRAPHY 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, CHAIN HA1, ... 著者 Sauter, N.K, Hanson, J.E, Glick, G.D, Brown, J.H, Crowther, R.L, Park, S.-J, Skehel, J.J, Wiley, D.C. 登録日 1991-11-01 公開日 1994-01-31 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Binding of influenza virus hemagglutinin to analogs of its cell-surface receptor, sialic acid: analysis by proton nuclear magnetic resonance spectroscopy and X-ray crystallography. Biochemistry, 31, 1992
1LEZ	CRYSTAL STRUCTURE OF MAP KINASE P38 COMPLEXED TO THE DOCKING SITE ON ITS ACTIVATOR MKK3B 分子名称: MAP kinase kinase 3b, MITOGEN-ACTIVATED PROTEIN KINASE 14 著者 Chang, C.-I, Xu, B.-E, Akella, R, Cobb, M.H, Goldsmith, E.J. 登録日 2002-04-10 公開日 2002-07-10 最終更新日 2021-10-27 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structures of MAP kinase p38 complexed to the docking sites on its nuclear substrate MEF2A and activator MKK3b. Mol.Cell, 9, 2002
1H2G	Altered substrate specificity mutant of penicillin acylase 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, PENICILLIN G ACYLASE ALPHA SUBUNIT, ... 著者 McVey, C.E, Morillas, M, Brannigan, J.A, Ladurner, A.G, Forney, L.J, Virden, R. 登録日 2002-08-08 公開日 2003-07-17 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Mutations of Penicillin Acylase Residue B71 Extend Substrate Specificity by Decreasing Steric Constraints for Substrate Binding Biochem.J., 371, 2003
1UPC	Carboxyethylarginine synthase from Streptomyces clavuligerus 分子名称: CARBOXYETHYLARGININE SYNTHASE, MAGNESIUM ION, SULFATE ION, ... 著者 Caines, M.E.C, Elkins, J.M, Hewitson, K.S, Schofield, C.J. 登録日 2003-09-29 公開日 2003-11-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Crystal Structure and Mechanistic Implications of N2-(2-Carboxyethyl)Arginine Synthase, the First Enzyme in the Clavulanic Acid Biosynthesis Pathway J.Biol.Chem., 279, 2004
1LK9	The Three-dimensional Structure of Alliinase from Garlic 分子名称: 2-AMINO-ACRYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Kuettner, E.B, Hilgenfeld, R, Weiss, M.S. 登録日 2002-04-24 公開日 2002-12-11 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 The active principle of garlic at atomic resolution J.Biol.Chem., 277, 2002
1DLP	STRUCTURAL CHARACTERIZATION OF THE NATIVE FETUIN-BINDING PROTEIN SCILLA CAMPANULATA AGGLUTININ (SCAFET): A NOVEL TWO-DOMAIN LECTIN 分子名称: LECTIN SCAFET PRECURSOR 著者 Wright, L.M, Reynolds, C.D, Rizkallah, P.J, Allen, A.K, VanDamme, E.J.M, Donovan, M.J, Peumans, W.J. 登録日 1999-12-11 公開日 2000-02-10 最終更新日 2017-10-04 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Structural characterisation of the native fetuin-binding protein Scilla campanulata agglutinin: a novel two-domain lectin. FEBS Lett., 468, 2000
2HW5	The crystal structure of human enoyl-coenzyme A (CoA) hydratase short chain 1, ECHS1 分子名称: CROTONYL COENZYME A, Enoyl-CoA hydratase, MAGNESIUM ION 著者 Turnbull, A.P, Salah, E, Niesen, F, Debreczeni, J, Ugochukwu, E, Pike, A.C.W, Kavanagh, K, Gileadi, O, Gorrec, F, Umeano, C, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) 登録日 2006-07-31 公開日 2006-08-22 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 The crystal structure of human enoyl-coenzyme A (CoA) hydratase short chain 1, ECHS1 To be Published
4FQO	Crystal Structure of Calcium-Loaded S100B Bound to SBi4211 分子名称: 4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide, CALCIUM ION, Protein S100-B 著者 McKnight, L.E, Raman, E.P, Bezawada, P, Kudrimoti, S, Wilder, P.T, Hartman, K.G, Toth, E.A, Coop, A, MacKerrell, A.D, Weber, D.J. 登録日 2012-06-25 公開日 2012-10-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B. ACS Med Chem Lett, 3, 2012
3BSA	Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor 分子名称: 2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)acetamide, RNA-directed RNA polymerase 著者 Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. 登録日 2007-12-23 公開日 2008-12-23 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine. Bioorg.Med.Chem.Lett., 18, 2008
2HQ6	Structure of the Cyclophilin_CeCYP16-Like Domain of the Serologically Defined Colon Cancer Antigen 10 from Homo Sapiens 分子名称: GLYCEROL, IODIDE ION, Serologically defined colon cancer antigen 10 著者 Walker, J.R, Davis, T, Paramanathan, R, Newman, E.M, Finerty Jr, P.J, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) 登録日 2006-07-18 公開日 2006-08-01 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases. PLoS Biol., 8, 2010
1LE2	STRUCTURAL BASIS FOR ALTERED FUNCTION IN THE COMMON MUTANTS OF HUMAN APOLIPOPROTEIN-E 分子名称: APOLIPOPROTEIN E2 著者 Wilson, C, Agard, D.A. 登録日 1991-08-22 公開日 1992-10-15 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Salt bridge relay triggers defective LDL receptor binding by a mutant apolipoprotein. Structure, 2, 1994
2EIC	Crystal Structure of Galactose Oxidase mutant W290F 分子名称: COPPER (I) ION, Galactose oxidase, SODIUM ION 著者 Akyumani, N, Tamber, S, Firbank, S.J, Knowles, P.F, Phillips, S.E, McPherson, M.J. 登録日 2007-03-12 公開日 2007-04-24 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 The Stacking Tryptophan of Galactose Oxidase: A Second-Coordination Sphere Residue that Has Profound Effects on Tyrosyl Radical Behavior and Enzyme Catalysis Biochemistry, 46, 2007

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