PDB: 71589 件ウェブページステータス検索Chemie searchBIRD

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7N4N	BACE-2 in complex with ligand 36 分子名称: 1,2-ETHANEDIOL, Beta-secretase 2, N-{3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide, ... 著者 Shaffer, P.L. 登録日 2021-06-04 公開日 2021-10-06 最終更新日 2021-10-27 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 JNJ-67569762, A 2-Aminotetrahydropyridine-Based Selective BACE1 Inhibitor Targeting the S3 Pocket: From Discovery to Clinical Candidate. J.Med.Chem., 64, 2021
7N66	BACE-1 in complex with ligand 12 分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Shaffer, P.L. 登録日 2021-06-07 公開日 2021-10-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 JNJ-67569762, A 2-Aminotetrahydropyridine-Based Selective BACE1 Inhibitor Targeting the S3 Pocket: From Discovery to Clinical Candidate. J.Med.Chem., 64, 2021
8QBX	Chimeric Adenovirus-derived dodecamer 分子名称: Penton protein 著者 Buzas, D, Borucu, U, Bufton, J, Kapadalakere, S.Y, Toelzer, C. 登録日 2023-08-25 公開日 2023-12-27 最終更新日 2024-03-20 実験手法 ELECTRON MICROSCOPY (2.2 Å) 主引用文献 Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders. Structure, 32, 2024
1EAJ	DIMERIC STRUCTURE OF THE COXSACKIE VIRUS AND ADENOVIRUS RECEPTOR D1 DOMAIN AT 1.35 ANGSTROM RESOLUTION 分子名称: COXSACKIE VIRUS AND ADENOVIRUS RECEPTOR, SULFATE ION 著者 van Raaij, M.J, Cusack, S. 登録日 2001-07-12 公開日 2001-07-13 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Dimeric structure of the coxsackievirus and adenovirus receptor D1 domain at 1.7 A resolution. Structure, 8, 2000
2Y7E	Crystal structure of the 3-keto-5-aminohexanoate cleavage enzyme (Kce) from Candidatus Cloacamonas acidaminovorans (tetragonal form) 分子名称: 3-KETO-5-AMINOHEXANOATE CLEAVAGE ENZYME, FORMIC ACID, MAGNESIUM ION, ... 著者 Bellinzoni, M, Alzari, P.M. 登録日 2011-01-31 公開日 2011-06-01 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 3-Keto-5-Aminohexanoate Cleavage Enzyme: A Common Fold for an Uncommon Claisen-Type Condensation. J.Biol.Chem., 286, 2011
2YWP	Crystal Structure of CHK1 with a Urea Inhibitor 分子名称: 1-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-(5-CYANOPYRAZIN-2-YL)UREA, Serine/threonine-protein kinase Chk1 著者 Park, C. 登録日 2007-04-21 公開日 2007-05-08 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Synthesis and biological evaluation of 1-(2,4,5-trisubstituted phenyl)-3-(5-cyanopyrazin-2-yl)ureas as potent Chk1 kinase inhibitors Bioorg.Med.Chem.Lett., 16, 2006
5ELO	Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and cladosporin 分子名称: 1,2-ETHANEDIOL, LYSINE, Lysine--tRNA ligase, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2015-11-04 公開日 2016-11-16 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc. Natl. Acad. Sci. U.S.A., 2019
1ENP	BRASSICA NAPUS ENOYL ACP REDUCTASE/NADH BINARY COMPLEX AT PH 8.0 AND ROOM TEMPERATURE 分子名称: ENOYL ACYL CARRIER PROTEIN REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE 著者 Rafferty, J.B, Rice, D.W. 登録日 1995-10-18 公開日 1996-10-14 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Common themes in redox chemistry emerge from the X-ray structure of oilseed rape (Brassica napus) enoyl acyl carrier protein reductase. Structure, 3, 1995
1E9N	A second divalent metal ion in the active site of a new crystal form of human apurinic/apyrimidinic endonuclease, Ape1, and its implications for the catalytic mechanism 分子名称: DNA-(APURINIC OR APYRIMIDINIC SITE) LYASE, LEAD (II) ION 著者 Beernink, P.T, Segelke, B.W, Rupp, B. 登録日 2000-10-24 公開日 2001-02-16 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Two Divalent Metal Ions in the Active Site of a New Crystal Form of Human Apurinic/Apyrimidinic Endonuclease, Ape1: Implications for the Catalytic Mechanism J.Mol.Biol., 307, 2001
2Y7D	Crystal structure of the 3-keto-5-aminohexanoate cleavage enzyme (Kce) from Candidatus Cloacamonas acidaminovorans (orthorombic form) 分子名称: 3-KETO-5-AMINOHEXANOATE CLEAVAGE ENZYME, GLYCEROL, ZINC ION 著者 Bellinzoni, M, Alzari, P.M. 登録日 2011-01-31 公開日 2011-06-01 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 3-Keto-5-Aminohexanoate Cleavage Enzyme: A Common Fold for an Uncommon Claisen-Type Condensation. J.Biol.Chem., 286, 2011
1F05	CRYSTAL STRUCTURE OF HUMAN TRANSALDOLASE 分子名称: TRANSALDOLASE 著者 Schneider, G, Thorell, S. 登録日 2000-05-14 公開日 2000-07-13 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 The three-dimensional structure of human transaldolase. FEBS Lett., 475, 2000
7NKE	Crystal structure of human RXRalpha ligand binding domain in complex with 2,4-di-tert-butylphenol and a coactivator fragment 分子名称: 2,4-di~{tert}-butylphenol, FORMIC ACID, Nuclear receptor coactivator 2, ... 著者 Carivenc, C, Bourguet, W. 登録日 2021-02-17 公開日 2022-03-02 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 2,4-Di-tert-butylphenol Induces Adipogenesis in Human Mesenchymal Stem Cells by Activating Retinoid X Receptors. Endocrinology, 164, 2023
2M1T	SP-B C-terminal (residues 59-80) peptide in DPC micelles 分子名称: Pulmonary surfactant-associated protein B 著者 Kuznetsova, A, Vanni, J, Long, J. 登録日 2012-12-06 公開日 2013-12-18 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Solution NMR structures of the C-terminal segment of surfactant protein B (residues 59-80) in DPC detergent micelles and methanol. To be Published
5F3E	Crystal structure of human KDM4A in complex with compound 54a 分子名称: 8-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Le Bihan, Y.-V, Westwood, I.M, van Montfort, R.L.M. 登録日 2015-12-02 公開日 2016-01-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
5F4J	Protruding domain of GII.17 norovirus Saitama/T87 分子名称: 1,2-ETHANEDIOL, Protruding domain of GII.17 norovirus capsid 著者 Singh, B.K, Hansman, G.S. 登録日 2015-12-03 公開日 2016-01-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.933 Å) 主引用文献 Structural Evolution of the Emerging 2014-2015 GII.17 Noroviruses. J.Virol., 90, 2015
2YMK	Crystal structure of the hexameric anti-microbial peptide channel dermcidin 分子名称: DCD-1, ZINC ION 著者 Zeth, K. 登録日 2012-10-09 公開日 2012-10-17 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 Crystal Structure and Functional Mechanism of a Human Antimicrobial Membrane Channel. Proc.Natl.Acad.Sci.USA, 110, 2013
7NQD	Prim-Pol Domain of CRISPR-associated Prim-Pol (CAPP) from Marinitoga sp. 1137 分子名称: TPR_REGION domain-containing protein 著者 Li, A.W.H, Doherty, A.J. 登録日 2021-03-01 公開日 2022-05-04 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.97 Å) 主引用文献 Molecular basis for the initiation of DNA primer synthesis. Nature, 605, 2022
7NQF	Prim-Pol Domain of CRISPR-associated Prim-Pol (CAPP) from Marinitoga sp. 1137 with dsDNA 分子名称: COBALT (II) ION, DNA(CGTGDG), TPR_REGION domain-containing protein 著者 Li, A.W.H, Doherty, A.J. 登録日 2021-03-01 公開日 2022-05-04 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Molecular basis for the initiation of DNA primer synthesis. Nature, 605, 2022
7NQE	Prim-Pol Domain of CRISPR-associated Prim-Pol (CAPP) from Marinitoga sp. 1137 with dGTP 分子名称: 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... 著者 Li, A.W.H, Doherty, A.J. 登録日 2021-03-01 公開日 2022-05-04 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 Molecular basis for the initiation of DNA primer synthesis. Nature, 605, 2022
5F09	Structure of inactive GCPII mutant in complex with beta-citryl glutamate 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, CALCIUM ION, ... 著者 Tykvart, J, Navratil, M, Pachl, P, Konvalinka, J. 登録日 2015-11-27 公開日 2016-06-01 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Comparison of human glutamate carboxypeptidases II and III reveals their divergent substrate specificities. Febs J., 283, 2016
5J3X	Structure of c-CBL Y371F 分子名称: CALCIUM ION, E3 ubiquitin-protein ligase CBL, ZINC ION 著者 Huang, D.T, Buetow, L, Dou, H. 登録日 2016-03-31 公開日 2016-09-21 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.822 Å) 主引用文献 Casitas B-lineage lymphoma linker helix mutations found in myeloproliferative neoplasms affect conformation. Bmc Biol., 14, 2016
5F2P	Crystal structure of the BRD9 bromodomain in complex with compound 3. 分子名称: 2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one, BRD9 著者 Nar, H, Fiegen, D, Zoephel, A, Bader, G. 登録日 2015-12-02 公開日 2016-03-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
5F37	Crystal structure of human KDM4A in complex with compound 58 分子名称: 1,2-ETHANEDIOL, 3H-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... 著者 Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. 登録日 2015-12-02 公開日 2016-01-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
5F2W	Crystal structure of human KDM4A in complex with compound 16 分子名称: 1,2-ETHANEDIOL, 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide, DIMETHYL SULFOXIDE, ... 著者 Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. 登録日 2015-12-02 公開日 2016-01-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
5F4O	Protruding domain of GII.17 norovirus Kawasaki308 分子名称: 1,2-ETHANEDIOL, Capsid protein VP1, MAGNESIUM ION 著者 Singh, B.K, Hansman, G.S. 登録日 2015-12-03 公開日 2016-01-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Structural Evolution of the Emerging 2014-2015 GII.17 Noroviruses. J.Virol., 90, 2015

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