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

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8FDV	LSD1-CoREST in complex N-formyl FAD and SNAG peptide 分子名称: Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... 著者 Caroli, J, Mattevi, A. 登録日 2022-12-05 公開日 2024-06-12 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
7V7M	crystal structure of SARS-CoV-2 3CL protease 分子名称: 3C-like proteinase 著者 Yi, Y, Zhang, M, Ye, M. 登録日 2021-08-21 公開日 2022-06-29 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Schaftoside inhibits 3CL pro and PL pro of SARS-CoV-2 virus and regulates immune response and inflammation of host cells for the treatment of COVID-19. Acta Pharm Sin B, 12, 2022
7V54	Structure of AdaV 分子名称: AdaV, FE (III) ION 著者 Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M. 登録日 2021-08-16 公開日 2022-08-24 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis Acs Catalysis, 12, 2022
8FJ7	LSD1-CoREST in complex with T108 and SNAG peptide 分子名称: Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... 著者 Caroli, J, Mattevi, A. 登録日 2022-12-19 公開日 2024-06-26 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
7VYU	Crystal structure of NatS 分子名称: 3-oxoacyl-ACP synthase 著者 Yu, Y, He, C, Wu, L, Zhang, Y. 登録日 2021-11-15 公開日 2022-08-24 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of NatS To Be Published
8FQJ	LSD1-CoREST in complex with T14, short soaking 分子名称: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3R,4R)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-3-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate 著者 Caroli, J, Mattevi, A. 登録日 2023-01-06 公開日 2024-06-26 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 To be published
8FHA	Intramolecular ester bond-containing repeat domain 1 from Suipraoptans intestinalis adhesin 分子名称: Adhesin, CALCIUM ION, SODIUM ION 著者 Jin, S, Young, P.G, Squire, C.J. 登録日 2022-12-13 公開日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Intramolecular ester bond-containing repeat domain from Suipraoptans intestinalis adhesin To Be Published
8G2Q	Structure of Ternary Complex of mouse cGAS with dsDNA and Bound GTP 分子名称: Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... 著者 Wu, S, Sohn, J. 登録日 2023-02-06 公開日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.37 Å) 主引用文献 Structure of Ternary Complex of mouse cGAS with dsDNA and Bound GTP To Be Published
8G2P	Structure of Ternary Complex of cGAS with dsDNA and Bound ATP and GTP 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, ... 著者 Wu, S, Sohn, J. 登録日 2023-02-06 公開日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.521 Å) 主引用文献 Structure of Ternary Complex of cGAS with dsDNA and Bound ATP and GTP To Be Published
8FJ4	LSD1-CoREST in complex with T108, short soaking 分子名称: 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-phenylbenzamide, Lysine-specific histone demethylase 1A, REST corepressor 1, ... 著者 Caroli, J, Mattevi, A. 登録日 2022-12-19 公開日 2024-06-26 実験手法 X-RAY DIFFRACTION (2.76 Å) 主引用文献 Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
8G1V	Crystal Structure Matriptase (C731S) in Complex with Inhibitor MM1132-2 分子名称: CHLORIDE ION, GLYCEROL, N~2~-{[3-(acetamidomethyl)phenyl]acetyl}-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1,1-dihydroxypentan-2-yl]-L-leucinamide, ... 著者 Lovell, S, Kashipathy, M.M, Battaile, K.P, Janetka, J.W. 登録日 2023-02-03 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Use of protease substrate specificity screening in the rational design of selective protease inhibitors with unnatural amino acids: Application to HGFA, matriptase and hepsin Protein Sci., 2024
8FJ6	LSD1-CoREST in complex with T108, long soaking 分子名称: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-{3-[3-(phenylcarbamoyl)phenyl]propanoyl}-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate 著者 Caroli, J, Mattevi, A. 登録日 2022-12-19 公開日 2024-06-26 実験手法 X-RAY DIFFRACTION (2.63 Å) 主引用文献 Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
8GCJ	PCNA 分子名称: Proliferating cell nuclear antigen 著者 Vandborg, B.C, Bruning, J.B. 登録日 2023-03-01 公開日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Crystal structure of apo pcna To Be Published
5IVI	The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: phosphorylated enzyme qFit multi-conformer model 分子名称: Carboxylic ester hydrolase, DIETHYL HYDROGEN PHOSPHATE 著者 Correy, G.J, Jackson, C.J. 登録日 2016-03-20 公開日 2016-06-15 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography. Structure, 24, 2016
7VBO	Alginate binding domain CBM 分子名称: Alginate lyase, CALCIUM ION, SULFATE ION 著者 Ji, S.Q, She, Q. 登録日 2021-09-01 公開日 2022-09-07 最終更新日 2023-04-12 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Identification and structural analysis of a carbohydrate-binding module specific to alginate, a representative of a new family, CBM96. J.Biol.Chem., 299, 2023
7VIV	Crystal structure of the I73R from African Swine Fever Virus 分子名称: I73R 著者 Sun, L.F, Wu, Y.K. 登録日 2021-09-28 公開日 2022-09-07 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural insight into African Swine Fever Virus I73R protein reveals it is a Z-DNA binding protein To be published
5IUJ	Crystal structure of the DesK-DesR complex in the phosphotransfer state with low Mg2+ (20 mM) 分子名称: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... 著者 Trajtenberg, F, Imelio, J.A, Larrieux, N, Buschiazzo, A. 登録日 2016-03-18 公開日 2016-12-21 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action. Elife, 5, 2016
7V56	Structure of AdaV 分子名称: AdaV, FE (III) ION 著者 Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M. 登録日 2021-08-16 公開日 2022-08-24 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis Acs Catalysis, 12, 2022
8G8H	Crystal structure of human DNA polymerase eta incorporating ITP across dC 分子名称: CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*GP*AP*G)-3'), DNA (5'-D(P*AP*TP*CP*CP*TP*CP*AP*CP*GP*CP*T)-3'), ... 著者 Jung, H. 登録日 2023-02-17 公開日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Crystal structure of human DNA polymerase eta incorporating ITP across dC To Be Published
5IW8	Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 4 [5-(3-([1,1'-Biphenyl]-3-yl)ureido)-2-hydroxybenzoic acid] 分子名称: 5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE, ... 著者 Brunner, K, Schnell, R, Schneider, G. 登録日 2016-03-22 公開日 2016-08-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis. J.Med.Chem., 59, 2016
5IUL	Crystal structure of the DesK-DesR complex in the phosphotransfer state with high Mg2+ (150 mM) and BeF3 分子名称: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... 著者 Trajtenberg, F, Imelio, J.A, Larrieux, N, Buschiazzo, A. 登録日 2016-03-18 公開日 2016-12-21 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (3.153 Å) 主引用文献 Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action. Elife, 5, 2016
7VB8	SbSOMT in complex with resveratrol and nicotinamide adenine dinucleotide(NAD+) 分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... 著者 Pow, K.C, Hao, Q. 登録日 2021-08-30 公開日 2022-09-07 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Regioselective stilbene O-methylations in Saccharinae grasses. Nat Commun, 14, 2023
8GV1	Crystal structure of anti-FX IgG fab with FAST-Ig mutations 分子名称: 1,2-ETHANEDIOL, ACETATE ION, Anti-factor X IgG fab heavy chain, ... 著者 Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T. 登録日 2022-09-14 公開日 2023-06-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.186 Å) 主引用文献 Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A. Mabs, 15, 2023
5IVK	The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: phosphorylated-enzyme ensemble refinement 分子名称: Carboxylic ester hydrolase, DIETHYL HYDROGEN PHOSPHATE 著者 Correy, G.J, Jackson, C.J. 登録日 2016-03-21 公開日 2016-06-22 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography. Structure, 24, 2016
8GV2	Crystal structure of anti-FX IgG fab without FAST-Ig mutations 分子名称: 1,2-ETHANEDIOL, Anti-factor X IgG fab heavy chain, Anti-factor X IgG fab light chain 著者 Koga, H, Yamano, T, Fukami, T.A, Sampei, Z, Shiraiwa, H, Torizawa, T. 登録日 2022-09-14 公開日 2023-06-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.274 Å) 主引用文献 Efficient production of bispecific antibody by FAST-Ig TM and its application to NXT007 for the treatment of hemophilia A. Mabs, 15, 2023

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