PDB: 224004 件ウェブページステータス検索Chemie searchBIRD

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6Q6O	RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 2 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors 分子名称: CHOLIC ACID, Nuclear receptor ROR-gamma, propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate 著者 Kallen, J. 登録日 2018-12-11 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors. J.Med.Chem., 62, 2019
3FHJ	Independent saturation of three TrpRS subsites generates a partially-assembled state similar to those observed in molecular simulations 分子名称: ADENOSINE MONOPHOSPHATE, PHOSPHATE ION, TRYPTOPHAN, ... 著者 Laowanapiban, P, Kapustina, M, Vonrhein, C, Delarue, M, Koehl, P, Carter Jr, C.W. 登録日 2008-12-09 公開日 2009-02-03 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Independent saturation of three TrpRS subsites generates a partially assembled state similar to those observed in molecular simulations. Proc.Natl.Acad.Sci.Usa, 106, 2009
3P3U	Human transthyretin (TTR) complexed with 5-(2-ethoxyphenyl)-3-(pyridin-4-yl)-1,2,4-oxadiazole 分子名称: 4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine, Transthyretin 著者 Connelly, S, Wilson, I.A. 登録日 2010-10-05 公開日 2011-08-24 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Potent kinetic stabilizers that prevent transthyretin-mediated cardiomyocyte proteotoxicity. Sci Transl Med, 3, 2011
3F6J	F17a-G lectin domain with bound GlcNAc(beta1-3)Gal 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-methyl beta-D-galactopyranoside, F17a-G 著者 Buts, L, de Boer, A, Olsson, J.D.M, Jonckheere, W, De Kerpel, M, De Genst, E, Guerardel, Y, Willaert, R, Wyns, L, Wuhrer, M, Oscarson, S, De Greve, H, Bouckaert, J. 登録日 2008-11-06 公開日 2009-11-17 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural Sampling of Glycan Interaction Profiles Reveals Mucosal Receptors for Fimbrial Adhesins of Enterotoxigenic Escherichia coli Biology, 2, 2013
3FK1	E. coli EPSP synthase (TIPS mutation) liganded with S3P and glyphosate 分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, N-(phosphonomethyl)glycine, ... 著者 Schonbrunn, E. 登録日 2008-12-15 公開日 2009-02-17 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli. J.Biol.Chem., 284, 2009
7QG4	Apo crystal structure of a mutant of SN243 (D415N) 分子名称: SN243, SULFATE ION, ZINC ION 著者 Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. 登録日 2021-12-07 公開日 2022-10-12 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Functional metagenomic screening identifies an unexpected beta-glucuronidase. Nat.Chem.Biol., 18, 2022
6Q7H	RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 9 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors 分子名称: 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid, Nuclear receptor ROR-gamma 著者 Kallen, J. 登録日 2018-12-13 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors. J.Med.Chem., 62, 2019
3P01	Crystal structure of two-component response regulator from Nostoc sp. PCC 7120 分子名称: Two-component response regulator 著者 Chang, C, Mack, J, Feldman, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) 登録日 2010-09-27 公開日 2010-10-06 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Crystal structure of two-component response regulator from Nostoc sp. PCC 7120 TO BE PUBLISHED
3DXD	Crystal structure of the intracellular domain of human APP (T668E mutant) in complex with Fe65-PTB2 分子名称: Amyloid beta A4 protein, Amyloid beta A4 protein-binding family B member 1 著者 Radzimanowski, J, Sinning, I, Wild, K. 登録日 2008-07-24 公開日 2008-09-16 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure of the intracellular domain of the amyloid precursor protein in complex with Fe65-PTB2. Embo Rep., 9, 2008
6XMR	X-ray crystallographic structure model of Lactococcus lactis prolidase mutant H38S 分子名称: Aminopeptidase P family protein, MANGANESE (II) ION 著者 Xu, S, Grochulski, P, Tanaka, T. 登録日 2020-06-30 公開日 2020-07-15 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystallographic structure of recombinant Lactococcus lactis prolidase to support proposed structure-function relationships. Biochim Biophys Acta Proteins Proteom, 1865, 2017
6PYL	Crystal Structure of HLA-B*2703 in complex with KK10, an HIV peptide 分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27:03 alpha chain, ... 著者 Gras, S. 登録日 2019-07-30 公開日 2019-11-27 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation. J.Biol.Chem., 294, 2019
3DUV	Crystal structure of 3-deoxy-manno-octulosonate cytidylyltransferase from Haemophilus influenzae complexed with the substrate 3-deoxy-manno-octulosonate in the-configuration 分子名称: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, 3-deoxy-manno-octulosonate cytidylyltransferase, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL 著者 Yoon, H.J, Ku, M.J, Mikami, B, Suh, S.W. 登録日 2008-07-18 公開日 2008-12-09 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure of 3-deoxy-manno-octulosonate cytidylyltransferase from Haemophilus influenzae complexed with the substrate 3-deoxy-manno-octulosonate in the beta-configuration. Acta Crystallogr.,Sect.D, 64, 2008
6Q9Y	HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 16 AT 1.20A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes 分子名称: 7-methoxy-~{N}-[(3~{S})-1-(4-methylphenyl)pyrrolidin-3-yl]-1~{H}-indole-3-carboxamide, Protein Mdm4 著者 Kallen, J. 登録日 2018-12-18 公開日 2019-05-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes. Chemmedchem, 14, 2019
3P76	X-ray crystal structure of Aquifex aeolicus LpxC complexed SCH1379777 分子名称: IMIDAZOLE, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-[4-(phenylethynyl)phenyl]piperidine-1-carboxamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... 著者 Orth, P. 登録日 2010-10-12 公開日 2011-02-09 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Design and synthesis of potent Gram-negative specific LpxC inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
3ONL	yeast Ent3_ENTH-Vti1p_Habc complex structure 分子名称: Epsin-3, t-SNARE VTI1 著者 Wang, J, Fang, P, Niu, L, Teng, M. 登録日 2010-08-29 公開日 2011-07-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Epsin N-terminal homology domains bind on opposite sides of two SNAREs Proc.Natl.Acad.Sci.USA, 108, 2011
3E3T	Structure of porcine pancreatic elastase with the magic triangle I3C 分子名称: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Elastase-1, IODIDE ION, ... 著者 Beck, T, Gruene, T, Sheldrick, G.M. 登録日 2008-08-08 公開日 2008-10-28 最終更新日 2012-04-11 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 A magic triangle for experimental phasing of macromolecules Acta Crystallogr.,Sect.D, 64, 2008
3E45	Q138F HincII bound to Noncognate DNA (GTGCAC) and Ca2+ 分子名称: 5'-D(*DGP*DCP*DCP*DGP*DGP*DTP*DGP*DCP*DAP*DCP*DCP*DGP*DGP*DC)-3', CALCIUM ION, SODIUM ION, ... 著者 Horton, N.C, Babic, A.C, Little, E.J, Manohar, V.M. 登録日 2008-08-08 公開日 2008-08-26 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.78 Å) 主引用文献 DNA distortion and specificity in a sequence-specific endonuclease. J.Mol.Biol., 383, 2008
6Q6J	Human phosphoserine phosphatase with substrate analogue homo-cysteic acid 分子名称: (2~{S})-2-azanyl-4-sulfo-butanoic acid, CALCIUM ION, CHLORIDE ION, ... 著者 Wouters, J, Haufroid, M, Mirgaux, M. 登録日 2018-12-11 公開日 2019-06-12 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.985 Å) 主引用文献 Crystal structures and snapshots along the reaction pathway of human phosphoserine phosphatase. Acta Crystallogr D Struct Biol, 75, 2019
6XFO	Orthorhombic crystal form of Striga hermonthica Dwarf14 (ShD14) 分子名称: ACETATE ION, D14, MAGNESIUM ION 著者 Hamiaux, C, Snowden, K.C. 登録日 2020-06-15 公開日 2020-06-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 To be published To Be Published
3OPO	Crystal structure of the membrane fusion protein CusB from Escherichia coli 分子名称: Cation efflux system protein cusB, SILVER ION 著者 Su, C.-C. 登録日 2010-09-01 公開日 2011-04-27 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (3.848 Å) 主引用文献 Crystal structure of the membrane fusion protein CusB from Escherichia coli. J.Mol.Biol., 393, 2009
7OY7	Crystal structure of a trapped Pab-AGOG/double-standed DNA covalent intermediate (DNA containing cytosine opposite to lesion) 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*CP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*(PED)P*TP*TP*TP*CP*T)-3'), ... 著者 Coste, F, Goffinont, S, Flament, D, Castaing, B. 登録日 2021-06-23 公開日 2022-07-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing. Nucleic Acids Res., 50, 2022
3OM5	Crystal structure of B. megaterium levansucrase mutant N252A 分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, ... 著者 Strube, C.P, Homann, A, Gamer, M, Jahn, D, Seibel, J, Heinz, D.W. 登録日 2010-08-26 公開日 2011-03-23 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Polysaccharide Synthesis of the Levansucrase SacB from Bacillus megaterium Is Controlled by Distinct Surface Motifs. J.Biol.Chem., 286, 2011
3ONK	yeast Ent3_ENTH domain 分子名称: Epsin-3 著者 Wang, J, Fang, P, Niu, L, Teng, M. 登録日 2010-08-29 公開日 2011-07-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Epsin N-terminal homology domains bind on opposite sides of two SNAREs Proc.Natl.Acad.Sci.USA, 108, 2011
3E7I	Structure of murine inos oxygenase domain with inhibitor AR-C94864 分子名称: (2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... 著者 Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. 登録日 2008-08-18 公開日 2008-10-07 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
3E7T	Structure of murine iNOS oxygenase domain with inhibitor AR-C102222 分子名称: 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE, 7,8-DIHYDROBIOPTERIN, Nitric oxide synthase, ... 著者 Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. 登録日 2008-08-18 公開日 2008-10-07 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008

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