PDB: 30476 件ウェブページステータス検索Chemie searchBIRD

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7S7H	Complex structure of Methane monooxygenase hydroxylase and regulatory subunit DBL2 分子名称: 1,2-ETHANEDIOL, FE (III) ION, Methane monooxygenase beta chain, ... 著者 Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D. 登録日 2021-09-16 公開日 2021-12-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics. Biochemistry, 61, 2022
7Z98	Crystal structure of F191M variant Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with methyl phenyl sulfide 分子名称: (methylsulfanyl)benzene, 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Kratky, J, Weisse, R, Strater, N. 登録日 2022-03-20 公開日 2023-02-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations. Angew.Chem.Int.Ed.Engl., 62, 2023
7Z6E	Structure of the C1-PH-CNH regulatory module of MRCK1 分子名称: Serine/threonine-protein kinase mrck-1, ZINC ION 著者 Truebestein, L, Leonard, T.A. 登録日 2022-03-11 公開日 2023-02-22 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 Structure and regulation of the myotonic dystrophy kinase-related Cdc42-binding kinase. Structure, 31, 2023
7ZCA	Crystal structure of the F191M/F201A variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with benzyl phenyl sulfoxide 分子名称: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Putative dehydrogenase/oxygenase subunit (Flavoprotein), ... 著者 Kratky, J, Weisse, R, Strater, N. 登録日 2022-03-26 公開日 2023-02-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations. Angew.Chem.Int.Ed.Engl., 62, 2023
7S6T	Complex structure of Methane monooxygenase hydroxylase and regulatory subunit H33A 分子名称: 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ... 著者 Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D. 登録日 2021-09-14 公開日 2021-12-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics. Biochemistry, 61, 2022
7Z99	Crystal structure of F191M variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with methyl phenyl sulfoxide 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative dehydrogenase/oxygenase subunit (Flavoprotein), [(S)-methylsulfinyl]benzene 著者 Kratky, J, Weisse, R, Strater, N. 登録日 2022-03-20 公開日 2023-02-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations. Angew.Chem.Int.Ed.Engl., 62, 2023
7S6R	Complex structure of Methane monooxygenase hydroxylase and regulatory subunit with H5A mutation 分子名称: 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ... 著者 Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D. 登録日 2021-09-14 公開日 2021-12-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics. Biochemistry, 61, 2022
7S6S	Complex structure of Methane monooxygenase hydroxylase and regulatory subunit DBL1 分子名称: 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ... 著者 Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D. 登録日 2021-09-14 公開日 2021-12-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics. Biochemistry, 61, 2022
7SEO	Crystal Structure of Caspase-3 with Peptide Inhibitor Ac-VDV(DAB)D-CHO 分子名称: ACE-VAL-ASP-VAL-DAB-ASP, Caspase-3 subunit p12, Caspase-3 subunit p17 著者 Fuller, J.L, Finzel, B.C. 登録日 2021-09-30 公開日 2022-01-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.25 Å) 主引用文献 Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
7S94	Structure of the core postfusion porcine endogenous retrovirus fusion protein 分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Endogenous retrovirus group S71 member 1 Env polyprotein 著者 Dean, T.T, Lee, J.E. 登録日 2021-09-20 公開日 2022-01-12 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure of the Core Postfusion Porcine Endogenous Retrovirus Fusion Protein. Mbio, 13, 2022
7S56	Sortase A from Streptococcus agalactiae, residues 79-247 分子名称: Class A sortase 著者 Gao, M, Kodama, H.M, Antos, J.M, Amacher, J.F. 登録日 2021-09-09 公開日 2022-01-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes. Protein Sci., 31, 2022
7ZG8	Crystal structure of A. baumannii penicillin-binding protein 2 分子名称: Peptidoglycan D,D-transpeptidase MrdA, ZINC ION 著者 Micelli, C, Crow, A, Roper, D.I. 登録日 2022-04-02 公開日 2023-02-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 A conserved zinc-binding site in Acinetobacter baumannii PBP2 required for elongasome-directed bacterial cell shape. Proc.Natl.Acad.Sci.USA, 120, 2023
7Z97	Crystal structure of the F191M variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with 6-bromoindole 分子名称: 1,2-ETHANEDIOL, 6-bromo-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Kratky, J, Weisse, R, Strater, N. 登録日 2022-03-20 公開日 2023-02-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations. Angew.Chem.Int.Ed.Engl., 62, 2023
7YYJ	Tetragonal crystal structure of YTHDF1 YTH domain (544AVV546 mutant) 分子名称: 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1 著者 Dalle Vedove, A, Cazzanelli, G, Lolli, G. 登録日 2022-02-18 公開日 2023-03-01 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains. J.Chem.Inf.Model., 2024
7S54	Sortase A from Streptococcus agalactiae with the deltaN188 b7-b8 loop sequence from Staphylococcus aureus Sortase A 分子名称: Class A sortase, sortase A chimera 著者 Gao, M, Kodama, H.M, Antos, J.M, Amacher, J.F. 登録日 2021-09-09 公開日 2022-01-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.794 Å) 主引用文献 Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes. Protein Sci., 31, 2022
7YXF	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 分子名称: 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... 著者 Snee, M, Katariya, M, Levy, C, Leys, D. 登録日 2022-02-16 公開日 2023-03-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
7YZ8	Triclinic crystal structure of YTHDF1 YTH domain (544AVV546 mutant) 分子名称: THIOCYANATE ION, YTH domain-containing family protein 1 著者 Dalle Vedove, A, Cazzanelli, G, Lolli, G. 登録日 2022-02-19 公開日 2023-03-01 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains. J.Chem.Inf.Model., 2024
7S57	Structure of Sortase A from Streptococcus pyogenes with the b7-b8 loop sequence of Enterococcus faecalis Sortase A 分子名称: Class A sortase, sortase A chimera 著者 Svendsen, J.E, Johnson, D.A, Gao, M, Antos, J.M, Amacher, J.F. 登録日 2021-09-09 公開日 2022-01-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes. Protein Sci., 31, 2022
7SLV	Vanin-1 complexed with Compound 3 分子名称: (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ... 著者 Vajdos, F.F. 登録日 2021-10-25 公開日 2022-01-12 最終更新日 2022-01-26 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1. J.Med.Chem., 65, 2022
7SLX	Vanin-1 complexed with Compound 11 分子名称: (3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, Pantetheinase, ... 著者 Vajdos, F.F. 登録日 2021-10-25 公開日 2022-01-12 最終更新日 2022-01-26 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1. J.Med.Chem., 65, 2022
7YYE	Orthorombic crystal structure of YTHDF1 YTH domain (G459N mutant) form I 分子名称: 1,2-ETHANEDIOL, MALONIC ACID, YTH domain-containing family protein 1 著者 Dalle Vedove, A, Cazzanelli, G, Lolli, G. 登録日 2022-02-17 公開日 2023-03-01 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains. J.Chem.Inf.Model., 2024
7S53	Structure of Sortase A from Streptococcus pyogenes with the b7-b8 loop sequence from Listeria monocytogenes Sortase A 分子名称: Class A sortase, sortase A chimera 著者 Johnson, D.A, Svendsen, J.E, Antos, J.M, Amacher, J.F. 登録日 2021-09-09 公開日 2022-01-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural and biochemical analyses of selectivity determinants in chimeric Streptococcus Class A sortase enzymes. Protein Sci., 31, 2022
7Z0J	human PEX13 SH3 domain in complex with internal FxxxF motif 分子名称: 1,2-ETHANEDIOL, Peroxisomal membrane protein PEX13 著者 Gaussmann, S, Zak, K, Kreisz, N, Sattler, M. 登録日 2022-02-23 公開日 2023-03-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Intramolecular autoinhibition of human PEX13 modulates peroxisomal import Biorxiv, 2022
7RXS	Crystal of BRD4(D1) with 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine 分子名称: 1,2-ETHANEDIOL, 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4 著者 Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. 登録日 2021-08-23 公開日 2022-01-19 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes. J.Med.Chem., 65, 2022
7Z1G	Crystal structure of nonphosphorylated (Tyr216) GSK3b in complex with CX-4945 分子名称: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Glycogen synthase kinase-3 beta, IMIDAZOLE, ... 著者 Grygier, P, Pustelny, K, Dubin, G, Czarna, A. 登録日 2022-02-24 公開日 2023-03-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Crystal structure of nonphosphorylated (Tyr216) GSK3b kinase in complex with CX-4945 To Be Published

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