PDB: 82203 件ウェブページステータス検索Chemie searchBIRD

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3ERX	High-resolution structure of Paracoccus pantotrophus pseudoazurin 分子名称: COPPER (II) ION, Pseudoazurin, SULFATE ION 著者 Najmudin, S, Pauleta, S.R, Moura, I, Romao, M.J. 登録日 2008-10-03 公開日 2009-10-13 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 The 1.4 A resolution structure of Paracoccus pantotrophus pseudoazurin. Acta Crystallogr.,Sect.F, 66, 2010
3IA6	X-ray Crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a PPAR gamma/alpha dual agonist 分子名称: (2S)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2H-1,2,3-triazol-2-yl)propanoic acid, Peroxisome proliferator-activated receptor gamma 著者 Ohren, J.F. 登録日 2009-07-13 公開日 2009-10-13 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 Synthesis and evaluation of novel alpha-heteroaryl-phenylpropanoic acid derivatives as PPARalpha/gamma dual agonists. Bioorg.Med.Chem., 17, 2009
5YFZ	Plasmodium vivax SHMT bound with PLP-glycine and S-GS626 分子名称: 2-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]ethanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... 著者 Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. 登録日 2017-09-22 公開日 2018-06-06 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 Potent Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT) Featuring a Spirocyclic Scaffold ChemMedChem, 13, 2018
7BDW	Crystal structure of mycobacterial PptAb in complex with ACP and compound 8918 分子名称: COENZYME A, MANGANESE (II) ION, N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea, ... 著者 Carivenc, C, Nguyen, M.C, Mourey, L, Pedelacq, J.D. 登録日 2020-12-22 公開日 2021-11-10 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds. Sci Rep, 11, 2021
1KPI	Crystal Structure of mycolic acid cyclopropane synthase CmaA2 complexed with SAH and DDDMAB 分子名称: CARBONATE ION, CYCLOPROPANE-FATTY-ACYL-PHOSPHOLIPID SYNTHASE 2, DIDECYL-DIMETHYL-AMMONIUM, ... 著者 Huang, C.-C, Smith, C.V, Jacobs Jr, W.R, Glickman, M.S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) 登録日 2001-12-30 公開日 2002-01-11 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Crystal structures of mycolic acid cyclopropane synthases from Mycobacterium tuberculosis J.Biol.Chem., 277, 2002
1KP9	Crystal structure of mycolic acid cyclopropane synthase CmaA1, apo-form 分子名称: ACETIC ACID, CYCLOPROPANE-FATTY-ACYL-PHOSPHOLIPID SYNTHASE 1 著者 Huang, C.-C, Smith, C.V, Jacobs Jr, W.R, Glickman, M.S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) 登録日 2001-12-30 公開日 2002-01-11 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Crystal structures of mycolic acid cyclopropane synthases from Mycobacterium tuberculosis J.Biol.Chem., 277, 2002
5XMV	Plasmodium vivax SHMT bound with PLP-glycine and GS362 分子名称: (4~{S})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5- carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... 著者 Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. 登録日 2017-05-16 公開日 2017-11-29 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs Chemistry, 23, 2017
5XMT	Plasmodium vivax SHMT bound with PLP-glycine and GS380 分子名称: (4~{S})-6-azanyl-4-[3-(2-cyanophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... 著者 Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. 登録日 2017-05-16 公開日 2017-11-29 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs Chemistry, 23, 2017
5XMU	Plasmodium vivax SHMT bound with PLP-glycine and GS363 分子名称: (4~{S})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... 著者 Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. 登録日 2017-05-16 公開日 2017-11-29 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs Chemistry, 23, 2017
1KPH	Crystal Structure of mycolic acid cyclopropane synthase CmaA1 complexed with SAH and DDDMAB 分子名称: CARBONATE ION, CYCLOPROPANE-FATTY-ACYL-PHOSPHOLIPID SYNTHASE 1, DIDECYL-DIMETHYL-AMMONIUM, ... 著者 Huang, C.-C, Smith, C.V, Jacobs Jr, W.R, Glickman, M.S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) 登録日 2001-12-30 公開日 2002-01-11 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structures of mycolic acid cyclopropane synthases from Mycobacterium tuberculosis J.Biol.Chem., 277, 2002
5XMQ	Plasmodium vivax SHMT(C346A) bound with PLP-glycine and MF011 分子名称: 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... 著者 Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. 登録日 2017-05-16 公開日 2017-11-29 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs Chemistry, 23, 2017
1XVF	soluble methane monooxygenase hydroxylase: chloropropanol soaked structure 分子名称: 3-CHLOROPROPANOL, FE (III) ION, Methane monooxygenase component A alpha chain, ... 著者 Sazinsky, M.H, Lippard, S.J. 登録日 2004-10-27 公開日 2005-05-03 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Product Bound Structures of the Soluble Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath): Protein Motion in the Alpha-Subunit J.Am.Chem.Soc., 127, 2005
5XMP	Plasmodium vivax SHMT(C346A) bound with PLP-glycine and MF057 分子名称: 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... 著者 Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. 登録日 2017-05-16 公開日 2017-11-29 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs Chemistry, 23, 2017
5XMS	Plasmodium vivax SHMT bound with PLP-glycine and GS498 分子名称: (4~{S})-6-azanyl-4-[3-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5- carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... 著者 Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. 登録日 2017-05-16 公開日 2017-11-29 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs Chemistry, 23, 2017
2C1V	CRYSTAL STRUCTURE OF THE DI-HAEM CYTOCHROME C PEROXIDASE FROM PARACOCCUS PANTOTROPHUS - Mixed VALENCE FORM 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI-HAEM CYTOCHROME C PEROXIDASE, ... 著者 Echalier, A, Fulop, V. 登録日 2005-09-21 公開日 2006-01-13 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Activation and Catalysis of the Di-Heme Cytochrome C Peroxidase from Paracoccus Pantotrophus Structure, 14, 2006
5YWO	Structure of JEV-2F2 Fab complex 分子名称: 2F2 heavy chain, 2F2 light chain, JEV E protein, ... 著者 Qiu, X, Lei, Y.F, Yang, P, Gao, Q, Wang, N, Cao, L, Yuan, S, Wang, X, Xu, Z.K, Rao, Z. 登録日 2017-11-29 公開日 2018-03-21 最終更新日 2018-09-12 実験手法 ELECTRON MICROSCOPY (4.7 Å) 主引用文献 Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies Nat Microbiol, 3, 2018
3DWV	Glutathione peroxidase-type tryparedoxin peroxidase, oxidized form 分子名称: Glutathione peroxidase-like protein 著者 Tews, I, Sinning, I, Krauth-Siegel, L. 登録日 2008-07-23 公開日 2008-08-05 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Structural basis for a distinct catalytic mechanism in Trypanosoma brucei tryparedoxin peroxidase. J.Biol.Chem., 283, 2008
7K7Q	CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-12 AKA:6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide 分子名称: 6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 著者 Khan, J.A. 登録日 2020-09-23 公開日 2021-08-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2. J.Med.Chem., 64, 2021
7K7O	CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-12 AKA:6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide 分子名称: 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 著者 Khan, J.A. 登録日 2020-09-23 公開日 2021-08-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.82 Å) 主引用文献 Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2. J.Med.Chem., 64, 2021
2C1U	CRYSTAL STRUCTURE OF THE DI-HAEM CYTOCHROME C PEROXIDASE FROM PARACOCCUS PANTOTROPHUS - OXIDISED FORM 分子名称: CALCIUM ION, DI-HAEM CYTOCHROME C PEROXIDASE, HEME C 著者 Echalier, A, Fulop, V. 登録日 2005-09-21 公開日 2006-01-13 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Activation and Catalysis of the Di-Heme Cytochrome C Peroxidase from Paracoccus Pantotrophus Structure, 14, 2006
5YWP	JEV-2H4 Fab complex 分子名称: 2H4 heavy chain, 2H4 light chain, JEV E protein, ... 著者 Qiu, X.D, Lei, Y.F, Yang, P, Gao, Q, WANG, N, Cao, L, Yuan, S, Wang, X.X, Xu, Z.K, Rao, Z.H. 登録日 2017-11-29 公開日 2018-05-02 実験手法 ELECTRON MICROSCOPY (4.6 Å) 主引用文献 Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies Nat Microbiol, 3, 2018
7M40	Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4) 分子名称: Histone-binding protein RBBP4, N~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-N~1~,N~1~-dimethylpropane-1,3-diamine 著者 Perveen, S, Dong, A, Tempel, W, Zepeda-Velazquez, C, Abbey, M, McLeod, D, Marcellus, R, Mohammed, M, Ensan, D, Panagopoulos, D, Trush, V, Gibson, E, Brown, P.J, Arrowsmith, C.H, Schapira, M, Al-awar, R, Vedadi, M, Structural Genomics Consortium (SGC) 登録日 2021-03-19 公開日 2021-05-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4) To Be Published
5WBN	Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain 分子名称: 3-(3-benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid, ACETATE ION, CHLORIDE ION, ... 著者 Harding, R.J, Walker, J.R, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H. 登録日 2017-06-29 公開日 2017-08-02 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain To be published
5WI5	2.0 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with Uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid, (2R)-2-(phosphonooxy)propanoic acid and Magnesium. 分子名称: (2R)-2-(phosphonooxy)propanoic acid, MAGNESIUM ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1, ... 著者 Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2017-07-18 公開日 2017-08-02 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 2.0 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with Uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid, (2R)-2-(phosphonooxy)propanoic acid and Magnesium. To Be Published
3FBL	Crystal structure of ORF132 of the archaeal virus Acidianus Filamentous Virus 1 (AFV1) 分子名称: CHLORIDE ION, Putative uncharacterized protein 著者 Goulet, A, Leulliot, N, Prangishvili, D, van Tilbeurgh, H, Campanacci, V, Cambillau, C. 登録日 2008-11-19 公開日 2009-11-10 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Acidianus filamentous virus 1 coat proteins display a helical fold spanning the filamentous archaeal viruses lineage Proc.Natl.Acad.Sci.USA, 106, 2009

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