PDB: 243531 件ウェブページステータス検索Chemie searchBIRD

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7EW2	Cryo-EM structure of pFTY720-bound Sphingosine 1-phosphate receptor 3 in complex with Gi protein 分子名称: (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... 著者 Zhao, C, Wang, W, Wang, H.L, Shao, Z.H. 登録日 2021-05-24 公開日 2021-09-29 最終更新日 2025-07-02 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 Structural insights into sphingosine-1-phosphate recognition and ligand selectivity of S1PR3-Gi signaling complexes. Cell Res., 32, 2022
3DIK	Pseudo-atomic model of the HIV-1 CA hexameric lattice 分子名称: Capsid protein p24 著者 Ganser-Pornillos, B.K, Cheng, A, Yeager, M. 登録日 2008-06-20 公開日 2008-09-16 最終更新日 2024-02-21 実験手法 ELECTRON CRYSTALLOGRAPHY (9 Å) 主引用文献 Structure of full-length HIV-1 CA: a model for the mature capsid lattice Cell(Cambridge,Mass.), 131, 2007
1HN4	PROPHOSPHOLIPASE A2 DIMER COMPLEXED WITH MJ33, SULFATE, AND CALCIUM 分子名称: 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PROPHOSPHOLIPASE A2, ... 著者 Epstein, T.M, Pan, Y.H, Jain, M.K, Bahnson, B.J. 登録日 2000-12-06 公開日 2001-12-05 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 The basis for k(cat) impairment in prophospholipase A(2) from the anion-assisted dimer structure. Biochemistry, 40, 2001
1EBG	CHELATION OF SER 39 TO MG2+ LATCHES A GATE AT THE ACTIVE SITE OF ENOLASE: STRUCTURE OF THE BIS(MG2+) COMPLEX OF YEAST ENOLASE AND THE INTERMEDIATE ANALOG PHOSPHONOACETOHYDROXAMATE AT 2.1 ANGSTROMS RESOLUTION 分子名称: ENOLASE, MAGNESIUM ION, PHOSPHONOACETOHYDROXAMIC ACID 著者 Wedekind, J.E, Reed, G.H, Rayment, I. 登録日 1994-04-27 公開日 1995-04-27 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Chelation of serine 39 to Mg2+ latches a gate at the active site of enolase: structure of the bis(Mg2+) complex of yeast enolase and the intermediate analog phosphonoacetohydroxamate at 2.1-A resolution. Biochemistry, 33, 1994
3MLS	Crystal structure of anti-HIV-1 V3 mAb 2557 Fab in complex with a HIV-1 gp120 V3 mimotope 分子名称: Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab light chain, Rationally designed V3 mimotope 著者 Kong, X.-P. 登録日 2010-04-18 公開日 2010-07-14 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Conserved structural elements in the V3 crown of HIV-1 gp120. Nat.Struct.Mol.Biol., 17, 2010
4MU7	Crystal structure of cIAP1 BIR3 bound to T3450325 分子名称: (3S,10aS)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION 著者 Snell, G.P, Dougan, D.R. 登録日 2013-09-20 公開日 2013-12-11 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Design, synthesis, and biological activities of novel hexahydropyrazino[1,2-a]indole derivatives as potent inhibitors of apoptosis (IAP) proteins antagonists with improved membrane permeability across MDR1 expressing cells. Bioorg.Med.Chem., 21, 2013
5NYN	Crystal structure of the atypical poplar thioredoxin-like2.1 in complex with gluathione 分子名称: GLUTATHIONE, SULFATE ION, Thioredoxin-like protein 2.1 著者 Chibani, K, Saul, F.A, Haouz, A, Rouhier, N. 登録日 2017-05-11 公開日 2018-02-28 最終更新日 2025-04-09 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural snapshots along the reaction mechanism of the atypical poplar thioredoxin-like2.1. FEBS Lett., 592, 2018
7D3F	Cryo-EM structure of human DUOX1-DUOXA1 in high-calcium state 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Dual oxidase 1, ... 著者 Chen, L, Wu, J.X. 登録日 2020-09-19 公開日 2020-12-09 最終更新日 2024-10-23 実験手法 ELECTRON MICROSCOPY (2.6 Å) 主引用文献 Structures of human dual oxidase 1 complex in low-calcium and high-calcium states. Nat Commun, 12, 2021
3MAD	Crystal structure of StSPL (symmetric form) 分子名称: PHOSPHATE ION, Sphingosine-1-phosphate lyase 著者 Bourquin, F, Grutter, M.G, Capitani, G. 登録日 2010-03-23 公開日 2010-08-18 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure and Function of Sphingosine-1-Phosphate Lyase, a Key Enzyme of Sphingolipid Metabolism. Structure, 18, 2010
3PXF	CDK2 in complex with two molecules of 8-anilino-1-naphthalene sulfonate 分子名称: 1,2-ETHANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, Cell division protein kinase 2 著者 Betzi, S, Alam, R, Schonbrunn, E. 登録日 2010-12-09 公開日 2011-02-16 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of a Potential Allosteric Ligand Binding Site in CDK2. Acs Chem.Biol., 6, 2011
3M67	Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide 分子名称: 2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Grazulis, S, Manakova, E, Golovenko, D. 登録日 2010-03-15 公開日 2010-11-03 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII Bioorg.Med.Chem., 18, 2010
3ZXB	Wild type single insulin-like growth factor binding domain protein (SIBD-1) from Cupiennius salei 分子名称: SINGLE INSULIN-LIKE GROWTH FACTOR-BINDING DOMAIN PROTEIN-1 著者 Widmer, C, Baumann, U. 登録日 2011-08-09 公開日 2012-06-06 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Structural and Biochemical Characterization of Native and Recombinant Single Insulin-Like Growth Factor-Binding Domain Protein (Sibd-1) from the Central American Hunting Spider Cupiennius Salei (Ctenidae). Proteins, 80, 2012
6LXI	Crystal structure of Z2B3 Fab in complex with influenza virus neuraminidase from A/Brevig Mission/1/1918 (H1N1) 分子名称: CALCIUM ION, Heavy chain of Z2B3 Fab, Light chain of Z2B3 Fab, ... 著者 Jiang, H, Peng, W, Qi, J, Chai, Y, Song, H, Shi, Y, Gao, G.F, Wu, Y. 登録日 2020-02-11 公開日 2020-12-02 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure-Based Modification of an Anti-neuraminidase Human Antibody Restores Protection Efficacy against the Drifted Influenza Virus. Mbio, 11, 2020
2PB2	Structure of biosynthetic N-acetylornithine aminotransferase from Salmonella typhimurium: studies on substrate specificity and inhibitor binding 分子名称: 1,2-ETHANEDIOL, Acetylornithine/succinyldiaminopimelate aminotransferase, GLYCEROL, ... 著者 Rajaram, V, Ratna Prasuna, P, Savithri, H.S, Murthy, M.R.N. 登録日 2007-03-28 公開日 2007-12-25 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Structure of biosynthetic N-acetylornithine aminotransferase from Salmonella typhimurium: Studies on substrate specificity and inhibitor binding Proteins, 70, 2007
3AUJ	Structure of diol dehydratase complexed with glycerol 分子名称: CALCIUM ION, COBALAMIN, Diol dehydrase alpha subunit, ... 著者 Yamanishi, M, Kinoshita, K, Fukuoka, M, Shibata, T, Tobimatsu, T, Toraya, T. 登録日 2011-02-07 公開日 2012-02-22 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Redesign of coenzyme B(12) dependent diol dehydratase to be resistant to the mechanism-based inactivation by glycerol and act on longer chain 1,2-diols Febs J., 279, 2012
1VLP	Crystal structure of a putative nicotinate phosphoribosyltransferase (yor209c, npt1) from saccharomyces cerevisiae at 1.75 A resolution 分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... 著者 Joint Center for Structural Genomics (JCSG) 登録日 2004-08-06 公開日 2004-08-24 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 The structure of a eukaryotic nicotinic acid phosphoribosyltransferase reveals structural heterogeneity among type II PRTases. Structure, 13, 2005
3ZT0	Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design 分子名称: (4-CARBOXY-1,3-BENZODIOXOL-5-YL)-N-{2-[(4-METHOXYBENZYL)CARBAMOYL]BENZYL}-N-METHYLMETHANAMINIUM, INTEGRASE, SULFATE ION 著者 Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. 登録日 2011-07-01 公開日 2012-07-11 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design. Plos One, 7, 2012
2W5O	Complex structure of the GH93 alpha-L-arabinofuranosidase of Fusarium graminearum with arabinobiose 分子名称: 1,2-ETHANEDIOL, ALPHA-L-ARABINOFURANOSIDASE, DI(HYDROXYETHYL)ETHER, ... 著者 Carapito, R, Imberty, A, Jeltsch, J.M, Byrns, S.C, Tam, P.H, Lowary, T.L, Varrot, A, Phalip, V. 登録日 2008-12-11 公開日 2009-03-03 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Molecular Basis of Arabinobio-Hydrolase Activity in Phytopathogenic Fungi. Crystal Structure and Catalytic Mechanism of Fusarium Graminearum Gh93 Exo-Alpha-L-Arabinanase. J.Biol.Chem., 284, 2009
3ZSW	Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design 分子名称: (R)-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl-[[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium, ACETIC ACID, CHLORIDE ION, ... 著者 Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. 登録日 2011-07-01 公開日 2012-07-11 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design. Plos One, 7, 2012
2NRU	Crystal structure of IRAK-4 分子名称: 1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE, Interleukin-1 receptor-associated kinase 4, SULFATE ION 著者 Wang, Z, Liu, J, Walker, N.P.C. 登録日 2006-11-02 公開日 2006-12-12 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structures of IRAK-4 kinase in complex with inhibitors: a serine/threonine kinase with tyrosine as a gatekeeper. Structure, 14, 2006
3UQN	Crystal structure of dihydrodipicolinate synthase from Acinetobacter baumannii complexed with Oxamic acid at 1.9 Angstrom resolution 分子名称: Dihydrodipicolinate synthase, GLYCEROL, OXAMIC ACID 著者 Singh, A, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. 登録日 2011-11-21 公開日 2011-12-07 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Crystal structure of dihydrodipicolinate synthase from Acinetobacter baumannii complexed with Oxamic acid at 1.9 Angstrom resolution To be Published
4IXV	Crystal structure of human Arginase-2 complexed with inhibitor 2d: {(5R)-5-amino-5-carboxy-5-[1-(4-chlorobenzyl)piperidin-4-yl]pentyl}(trihydroxy)borate(1-) 分子名称: Arginase-2, mitochondrial, BENZAMIDINE, ... 著者 Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D, Beckett, P, Van Zandt, M.C, Ji, M.K, Ryder, T, Jagdmann, R, Andreoli, M, Olczak, J, Mazur, M, Czestkowski, W, Piotrowska, W, Schroeter, H, Golebiowski, A, Podjarny, A. 登録日 2013-01-28 公開日 2013-12-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Synthesis of quaternary alpha-amino acid-based arginase inhibitors via the Ugi reaction. Bioorg.Med.Chem.Lett., 23, 2013
1DMS	STRUCTURE OF DMSO REDUCTASE 分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DMSO REDUCTASE, MOLYBDENUM (IV)OXIDE 著者 Schneider, F, Loewe, J, Huber, R, Schindelin, H, Kisker, C, Knaeblein, J. 登録日 1996-09-03 公開日 1998-07-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Crystal structure of dimethyl sulfoxide reductase from Rhodobacter capsulatus at 1.88 A resolution. J.Mol.Biol., 263, 1996
1HII	COMPARATIVE ANALYSIS OF THE X-RAY STRUCTURES OF HIV-1 AND HIV-2 PROTEASES IN COMPLEX WITH CGP 53820, A NOVEL PSEUDOSYMMETRIC INHIBITOR 分子名称: ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-BENZYL-VAL-NH-ACETYL, HIV-2 PROTEASE, SULFATE ION 著者 Priestle, J.P, Gruetter, M.G. 登録日 1995-03-31 公開日 1995-07-10 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Comparative analysis of the X-ray structures of HIV-1 and HIV-2 proteases in complex with CGP 53820, a novel pseudosymmetric inhibitor. Structure, 3, 1995
4GYE	MDR 769 HIV-1 Protease in Complex with Reduced P1F 分子名称: P1F peptide, Protease 著者 Dewdney, T.G, Wang, Y, Brunzelle, J, Reiter, S.J, Kovari, I.A, Kovari, L.C. 登録日 2012-09-05 公開日 2013-10-30 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease. Bioorg.Med.Chem., 21, 2013

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