PDB: 243083 件ウェブページステータス検索Chemie searchBIRD

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5FKB	Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with 1-Kestose 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, BETA-FRUCTOFURANOSIDASE, ... 著者 Ramirez-Escudero, M, Sanz-Aparicio, J. 登録日 2015-10-15 公開日 2016-02-10 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Structural Analysis of Beta-Fructofuranosidase from Xanthophyllomyces Dendrorhous Reveals Unique Features and the Crucial Role of N-Glycosylation in Oligomerization and Activity J.Biol.Chem., 291, 2016
7KCF	Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-24512 分子名称: 1,2-ETHANEDIOL, 6-(4-hydroxyphenyl)-5-methyl-2-phenyl-3-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one, GLYCEROL, ... 著者 Padyana, A, Jin, L. 登録日 2020-10-05 公開日 2021-04-21 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion. J.Med.Chem., 64, 2021
5REK	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102327 分子名称: 1-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one, 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 2020-03-15 公開日 2020-03-25 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
5RFI	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102353 分子名称: 1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one, 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 2020-03-15 公開日 2020-03-25 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
5RFW	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102243 分子名称: 1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one, 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 2020-03-15 公開日 2020-03-25 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
1SDU	Crystal structures of HIV protease V82A and L90M mutants reveal changes in indinavir binding site. 分子名称: ACETATE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, SULFATE ION, ... 著者 Mahalingam, B, Wang, Y.-F, Boross, P.I, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. 登録日 2004-02-14 公開日 2004-05-25 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Crystal structures of HIV protease V82A and L90M mutants reveal changes in the indinavir-binding site Eur.J.Biochem., 271, 2004
1HV5	CRYSTAL STRUCTURE OF THE STROMELYSIN-3 (MMP-11) CATALYTIC DOMAIN COMPLEXED WITH A PHOSPHINIC INHIBITOR 分子名称: 1-BENZYLOXYCARBONYLAMINO-2-PHENYL-ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-3-YL)-ETHYLCARBAMOYL]-5-PHENYL-PENTYL}-PHOSPHINIC ACID, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CALCIUM ION, ... 著者 Gall, A.L, Ruff, M, Kannan, R, Cuniasse, P, Yiotakis, A, Dive, V, Rio, M.C, Basset, P, Moras, D. 登録日 2001-01-08 公開日 2001-03-28 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystal structure of the stromelysin-3 (MMP-11) catalytic domain complexed with a phosphinic inhibitor mimicking the transition-state. J.Mol.Biol., 307, 2001
4ISF	Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(1,3-thiazol-2-yl)propanamide 分子名称: (2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ... 著者 Hosfield, D, Skene, R.J. 登録日 2013-01-16 公開日 2013-03-20 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Design, synthesis and SAR of novel glucokinase activators. Bioorg.Med.Chem.Lett., 23, 2013
5RW2	INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2737076969 分子名称: 1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 著者 Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. 登録日 2020-10-30 公開日 2020-11-11 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.22 Å) 主引用文献 Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2. Structure, 2024
5RXC	INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434868 分子名称: 1-ethyl-N-(2-fluorophenyl)piperidin-4-amine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 著者 Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. 登録日 2020-10-30 公開日 2020-11-11 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2. Structure, 2024
194L	THE 1.40 A STRUCTURE OF SPACEHAB-01 HEN EGG WHITE LYSOZYME 分子名称: CHLORIDE ION, LYSOZYME, SODIUM ION 著者 Vaney, M.C, Maignan, S, Ries-Kautt, M, Ducruix, A. 登録日 1995-09-01 公開日 1995-12-07 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 High-resolution structure (1.33 A) of a HEW lysozyme tetragonal crystal grown in the APCF apparatus. Data and structural comparison with a crystal grown under microgravity from SpaceHab-01 mission. Acta Crystallogr.,Sect.D, 52, 1996
2AN4	Structure of PNMT complexed with S-adenosyl-L-homocysteine and the acceptor substrate octopamine 分子名称: 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, PHOSPHATE ION, Phenylethanolamine N-methyltransferase, ... 著者 Gee, C.L, Tyndall, J.D.A, Grunewald, G.L, Wu, Q, McLeish, M.J, Martin, J.L. 登録日 2005-08-11 公開日 2006-03-14 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Mode of binding of methyl acceptor substrates to the adrenaline-synthesizing enzyme phenylethanolamine N-methyltransferase: implications for catalysis Biochemistry, 44, 2005
3TFU	Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, post-reaction complex with a 3,6-dihydropyrid-2-one heterocycle inhibitor 分子名称: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DIMETHYL SULFOXIDE, [5-hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate 著者 Geders, T.W, Finzel, B.C. 登録日 2011-08-16 公開日 2011-10-19 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Mechanism-based Inactivation by Aromatization of the Transaminase BioA Involved in Biotin Biosynthesis in Mycobaterium tuberculosis. J.Am.Chem.Soc., 133, 2011
1Q6Q	Structure of 3-keto-L-gulonate 6-phosphate decarboxylase with bound xylitol 5-phosphate 分子名称: 3-keto-L-gulonate 6-phosphate decarboxylase, L-XYLITOL 5-PHOSPHATE, MAGNESIUM ION 著者 Wise, E.L, Yew, W.S, Gerlt, J.A, Rayment, I. 登録日 2003-08-13 公開日 2003-10-28 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.695 Å) 主引用文献 Structural Evidence for a 1,2-Enediolate Intermediate in the Reaction Catalyzed by 3-Keto-l-Gulonate 6-Phosphate Decarboxylase, a Member of the Orotidine 5'-Monophosphate Decarboxylase Suprafamily Biochemistry, 42, 2003
4A03	Crystal Structure of Mycobacterium tuberculosis DXR in complex with the antibiotic FR900098 and cofactor NADPH 分子名称: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-[ethanoyl(hydroxy)amino]propylphosphonic acid, GLYCEROL, ... 著者 Bjorkelid, C, Bergfors, T, Jones, T.A. 登録日 2011-09-07 公開日 2012-01-18 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structural Studies on Mycobacterium Tuberculosis Dxr in Complex with the Antibiotic Fr-900098. Acta Crystallogr.,Sect.D, 68, 2012
2JV3	Ets-1 PNT domain (29-138) NMR structure ensemble 分子名称: ETS1 proto-oncogene 著者 Lee, G.M, Kang, H, Schaerpf, M, Slupsky, C.M, Lawrence, M.P. 登録日 2007-09-11 公開日 2007-10-16 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 Ets-1 PNT domain (29-138) NMR structure ensemble To be Published
1QHI	HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE COMPLEXED WITH A NOVEL NON-SUBSTRATE INHIBITOR, 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE 分子名称: 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE, PROTEIN (THYMIDINE KINASE), SULFATE ION 著者 Bennett, M.S, Wien, F, Champness, J.N, Batuwangala, T, Rutherford, T, Summers, W.C, Sun, H, Wright, G, Sanderson, M.R. 登録日 1999-05-12 公開日 1999-07-09 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure to 1.9 A resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding of aciclovir. FEBS Lett., 443, 1999
7FET	SARS-CoV-2 B.1.1.7 Spike Glycoprotein trimer 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, Spike glycoprotein 著者 Wen, Z.L, Zhu, Y, Sun, F. 登録日 2021-07-21 公開日 2021-12-15 最終更新日 2024-10-23 実験手法 ELECTRON MICROSCOPY (3.7 Å) 主引用文献 Structure-based evidence for the enhanced transmissibility of the dominant SARS-CoV-2 B.1.1.7 variant (Alpha). Cell Discov, 7, 2021
3PAE	Crystal structure of the K84D mutant of OXA-24/40 in complex with doripenem 分子名称: (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, SULFATE ION 著者 Powers, R.A, Leonard, D.A, Schneider, K.D. 登録日 2010-10-19 公開日 2011-01-19 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structures of the Class D Carbapenemase OXA-24 from Acinetobacter baumannii in Complex with Doripenem. J.Mol.Biol., 406, 2011
1KQZ	Hevamine Mutant D125A/E127A/Y183F in Complex with Tetra-NAG 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hevamine A 著者 Rozeboom, H.J, Dijkstra, B.W. 登録日 2002-01-08 公開日 2002-01-23 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Expression and Characterization of Active Site Mutants of Hevamine, a Chitinase from the Rubber Tree Hevea brasiliensis. Eur.J.Biochem., 269, 2002
1Q84	Crystal structure of the mouse acetylcholinesterase-TZ2PA6 anti complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM, Acetylcholinesterase, ... 著者 Bourne, Y, Kolb, H.C, Radic, Z, Sharpless, K.B, Taylor, P, Marchot, P. 登録日 2003-08-20 公開日 2004-02-10 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Freeze-frame inhibitor captures acetylcholinesterase in a unique conformation. Proc.Natl.Acad.Sci.Usa, 101, 2004
5P93	humanized rat catechol O-methyltransferase in complex with single conformation of 5-(4-fluorophenyl)-2,3-dihydroxy-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide at 1.24A 分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-(4-fluorophenyl)-2,3-dihydroxy-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide, CHLORIDE ION, ... 著者 Ehler, A, Lerner, C, Rudolph, M.G. 登録日 2016-08-29 公開日 2017-08-30 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Crystal Structure of a COMT complex To be published
5PAB	Crystal Structure of Factor VIIa in complex with 1-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenylurea 分子名称: 1-[[3-[2-oxidanyl-3-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenyl-urea, CALCIUM ION, CHLORIDE ION, ... 著者 Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G. 登録日 2016-11-10 公開日 2017-06-21 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Crystal Structure of a Factor VIIa complex To be published
3FKB	Structure of NDPK H122G and tenofovir-diphosphate 分子名称: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... 著者 Morera, S, Chen, Y.X. 登録日 2008-12-16 公開日 2009-09-29 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Nucleoside diphosphate kinase and the activation of antiviral phosphonate analogs of nucleotides: binding mode and phosphorylation of tenofovir derivatives Nucleosides Nucleotides Nucleic Acids, 28, 2009
1Q6L	Structure of 3-keto-L-gulonate 6-phosphate decarboxylase with bound L-threonohydroxamate 4-phosphate 分子名称: 3-keto-L-gulonate 6-phosphate decarboxylase, L-THREONOHYDROXAMATE 4-PHOSPHATE, MAGNESIUM ION 著者 Wise, E.L, Yew, W.S, Gerlt, J.A, Rayment, I. 登録日 2003-08-13 公開日 2003-10-28 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural Evidence for a 1,2-Enediolate Intermediate in the Reaction Catalyzed by 3-Keto-l-Gulonate 6-Phosphate Decarboxylase, a Member of the Orotidine 5'-Monophosphate Decarboxylase Suprafamily Biochemistry, 42, 2003

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