PDB: 217477 件ウェブページステータス検索Chemie searchBIRD

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5SRL	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5352447655 - (R,R) isomer 分子名称: Non-structural protein 3, [(2R,6R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-(hydroxymethyl)morpholin-2-yl]acetic acid 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
5SRM	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z3860662215 - (R) and (S) isomers 分子名称: Non-structural protein 3, [(2R)-6,6-dimethyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
5SRP	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5340019182 - (R) isomer 分子名称: (8R)-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid, Non-structural protein 3, trifluoroacetic acid 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
5SRQ	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z3831836449 - (R) isomer 分子名称: Non-structural protein 3, [(6R)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]methanol 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
5SRV	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562533 - (R,R) isomer 分子名称: (3R,4R)-4-cyclopropyl-3-fluoro-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidine-3-carboxylic acid, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
5SRU	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562523 - (S) isomer 分子名称: (8S)-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
5SRT	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562791 - (R) isomer 分子名称: 7-fluoro-4-[(2R)-2-(1H-tetrazol-5-yl)morpholin-4-yl]-9H-pyrimido[4,5-b]indole, Non-structural protein 3 著者 Correy, G.J, Fraser, J.S. 登録日 2022-06-09 公開日 2022-07-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
5E0Y	Crystal Structure of PASTA Domain 4 of Mycobacterium tuberculosis Protein Kinase B 分子名称: Serine/threonine-protein kinase PknB, ZINC ION 著者 Prigozhin, D.M, TB Structural Genomics Consortium (TBSGC) 登録日 2015-09-29 公開日 2016-09-14 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.001 Å) 主引用文献 Structural and Genetic Analyses of the Mycobacterium tuberculosis Protein Kinase B Sensor Domain Identify a Potential Ligand-binding Site. J.Biol.Chem., 291, 2016
2QTM	Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase 分子名称: COBALT (II) ION, GLYCEROL, Nicotinate (Nicotinamide) nucleotide adenylyltransferase 著者 Sershon, V.C, Santarsiero, B.D, Mesecar, A.D. 登録日 2007-08-02 公開日 2008-07-15 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Kinetic and X-ray structural evidence for negative cooperativity in substrate binding to nicotinate mononucleotide adenylyltransferase (NMAT) from Bacillus anthracis. J.Mol.Biol., 385, 2009
4M4P	Crystal structure of EPHA4 ectodomain 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, Ephrin type-A receptor 4 著者 Xu, K, Tsvetkova-Robev, D, Xu, Y, Goldgur, Y, Chan, Y.-P, Himanen, J.P, Nikolov, D.B. 登録日 2013-08-07 公開日 2013-10-30 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.081 Å) 主引用文献 Insights into Eph receptor tyrosine kinase activation from crystal structures of the EphA4 ectodomain and its complex with ephrin-A5. Proc.Natl.Acad.Sci.USA, 110, 2013
4QRR	Crystal Structure of HLA B*3501-IPS in complex with a Delta-Beta TCR, clone 12 TCR 分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... 著者 Gras, S, Chabrol, E, Rossjohn, J. 登録日 2014-07-02 公開日 2014-12-10 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 The molecular bases of delta / alpha beta T cell-mediated antigen recognition. J.Exp.Med., 211, 2014
3LC9	Ricin A-chain variant 1-33/44-198 with engineered disulfide bond 分子名称: Ricin A chain, SULFATE ION 著者 Compton, J.R, Legler, P.M, Millard, C.B. 登録日 2010-01-10 公開日 2010-11-10 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Introduction of a disulfide bond leads to stabilization and crystallization of a ricin immunogen. Proteins, 79, 2011
206D	BASE-PAIR OPENING AND SPERMINE BINDING-B-DNA FEATURES DISPLAYED IN THE CRYSTAL STRUCTURE OF A GAL OPERON FRAGMENT: IMPLICATIONS FOR PROTEIN-DNA RECOGNITION 分子名称: DNA (5'-D(*CP*CP*AP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*TP*GP*G)-3'), SPERMINE 著者 Tari, L.W, Secco, A.S. 登録日 1995-04-19 公開日 1996-06-21 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Base-pair opening and spermine binding--B-DNA features displayed in the crystal structure of a gal operon fragment: implications for protein-DNA recognition. Nucleic Acids Res., 23, 1995
4NJS	Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL008 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease 著者 Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. 登録日 2013-11-11 公開日 2014-04-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV. Antimicrob.Agents Chemother., 58, 2014
5DYF	The crystal structure of Aminopeptidase N in complex with N-benzyl-1,2-diaminoethylphosphonic acid 分子名称: Aminopeptidase N, GLYCEROL, IMIDAZOLE, ... 著者 Nocek, B, Joachimiak, A, Vassiliou, S, Berlicki, L, Mucha, A, Midwest Center for Structural Genomics (MCSG) 登録日 2015-09-24 公開日 2015-11-25 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.854 Å) 主引用文献 The crystal structure of Aminopeptidase N in complex with N-benzyl-1,2-diaminoethylphosphonic acid To Be Published
1QE5	PURINE NUCLEOSIDE PHOSPHORYLASE FROM CELLULOMONAS SP. IN COMPLEX WITH PHOSPHATE 分子名称: CALCIUM ION, PENTOSYLTRANSFERASE, PHOSPHATE ION 著者 Tebbe, J, Bzowska, A, Wielgus-Kutrowska, B, Schroeder, W, Kazimierczuk, Z, Shugar, D, Saenger, W, Koellner, G. 登録日 1999-07-13 公開日 1999-12-12 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of the purine nucleoside phosphorylase (PNP) from Cellulomonas sp. and its implication for the mechanism of trimeric PNPs. J.Mol.Biol., 294, 1999
4JGH	Structure of the SOCS2-Elongin BC complex bound to an N-terminal fragment of Cullin5 分子名称: Cullin-5, Suppressor of cytokine signaling 2, Transcription elongation factor B polypeptide 1, ... 著者 Kim, Y.K, Kwak, M.J, Ku, B, Suh, H.Y, Joo, K, Lee, J, Jung, J.U, Oh, B.H. 登録日 2013-03-01 公開日 2013-08-07 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structural basis of intersubunit recognition in elongin BC-cullin 5-SOCS box ubiquitin-protein ligase complexes. Acta Crystallogr.,Sect.D, 69, 2013
3FPX	Native fungus laccase from Trametes hirsuta 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, COPPER (II) ION, ... 著者 Polyakov, K.M, Fedorova, T.V, Stepanova, E.V, Cherkashin, E.A, Kurzeev, S.A, Strokopytov, B.V, Lamzin, V.S, Koroleva, O.V. 登録日 2009-01-06 公開日 2009-01-27 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure of native laccase from Coriolus hirsutus at 1.8 A resolution To be Published
1HRT	THE STRUCTURE OF A COMPLEX OF BOVINE ALPHA-THROMBIN AND RECOMBINANT HIRUDIN AT 2.8 ANGSTROMS RESOLUTION 分子名称: HIRUDIN, THROMBIN (LARGE SUBUNIT), THROMBIN (SMALL SUBUNIT) 著者 Vitali, J, Edwards, B.F.P. 登録日 1993-02-25 公開日 1994-01-31 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 The structure of a complex of bovine alpha-thrombin and recombinant hirudin at 2.8-A resolution. J.Biol.Chem., 267, 1992
3F7H	Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic 分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ... 著者 Franklin, M.C, Fairbrother, W.J, Cohen, F. 登録日 2008-11-09 公開日 2009-03-17 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold J.Med.Chem., 52, 2009
4J4P	The complex of human IgE-Fc with two bound Fab fragments 分子名称: Ig epsilon chain C region, Immunoglobulin G Fab Fragment Heavy Chain, Immunoglobulin G Fab Fragment Light Chain, ... 著者 Drinkwater, N, Sutton, B.J. 登録日 2013-02-07 公開日 2014-03-12 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.91 Å) 主引用文献 Human immunoglobulin E flexes between acutely bent and extended conformations. Nat.Struct.Mol.Biol., 21, 2014
1IXO	Enzyme-analogue substrate complex of Pyridoxine 5'-Phosphate Synthase 分子名称: Pyridoxine 5'-Phosphate synthase, SN-GLYCEROL-3-PHOSPHATE 著者 Garrido-Franco, M, Laber, B, Huber, R, Clausen, T. 登録日 2002-06-28 公開日 2003-02-11 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Enzyme-ligand complexes of pyridoxine 5'-phosphate synthase: implications for substrate binding and catalysis J.MOL.BIOL., 321, 2002
1BB7	LYSOZYME COMPLEX WITH 4-METHYL-UMBELLIFERYL CHITOBIOSE 分子名称: 4-METHYL-UMBELLIFERYL-N-ACETYL-CHITOBIOSE, LYSOZYME 著者 Vollan, V.B, Hough, E, Karlsen, S. 登録日 1998-04-29 公開日 1999-05-04 最終更新日 2018-04-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural studies on the binding of 4-methylumbelliferone glycosides of chitin to rainbow trout lysozyme. Acta Crystallogr.,Sect.D, 55, 1999
4F20	Crystal structures reveal the multi-ligand binding mechanism of the Staphylococcus aureus ClfB 分子名称: Clumping factor B, MAGNESIUM ION, peptide from Dermokine 著者 Yang, M.J, Xiang, H, Wang, J.W, Liu, B, Chen, Y.G, Liu, L, Deng, X.M, Feng, Y. 登録日 2012-05-07 公開日 2012-08-08 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.502 Å) 主引用文献 Crystal Structures Reveal the Multi-Ligand Binding Mechanism of Staphylococcus aureus ClfB Plos Pathog., 8, 2012
1VEB	Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 5 分子名称: (3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-3-YL}-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... 著者 Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. 登録日 2004-03-29 公開日 2005-03-29 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.89 Å) 主引用文献 Structure-based optimization of novel azepane derivatives as PKB inhibitors J.Med.Chem., 47, 2004

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