PDB: 243083 件ウェブページステータス検索Chemie searchBIRD

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5XUJ	Crystal structure of PDE10A in complex with 7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine 分子名称: 7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine, MAGNESIUM ION, ZINC ION, ... 著者 Amano, Y, Honbou, K. 登録日 2017-06-23 公開日 2018-03-14 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.44 Å) 主引用文献 Fragment-Based Discovery of Pyrimido[1,2-b]indazole PDE10A Inhibitors. Chem. Pharm. Bull., 66, 2018
6R4G	Crystal structure of human GFAT-1 in complex with UDP-GlcNAc 分子名称: GLUCOSE-6-PHOSPHATE, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1, MAGNESIUM ION, ... 著者 Ruegenberg, S, Horn, M, Pichlo, C, Allmeroth, K, Baumann, U, Denzel, M.S. 登録日 2019-03-22 公開日 2020-01-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.501 Å) 主引用文献 Loss of GFAT-1 feedback regulation activates the hexosamine pathway that modulates protein homeostasis. Nat Commun, 11, 2020
6R3O	Aspergillus niger ferric acid decarboxylase (Fdc) L439G variant in complex with prFMN (purified in the radical form) and phenylpropiolic acid 分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... 著者 Bailey, S.S, Leys, D. 登録日 2019-03-20 公開日 2019-08-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition to be published
6ZFQ	Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with bis-tris 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoprotein endo-alpha-1,2-mannosidase 著者 Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J. 登録日 2020-06-17 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target. Proc.Natl.Acad.Sci.USA, 117, 2020
6R4J	Crystal structure of human GFAT-1 G451E in complex with UDP-GlcNAc 分子名称: GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1, ... 著者 Ruegenberg, S, Horn, M, Pichlo, C, Allmeroth, K, Baumann, U, Denzel, M.S. 登録日 2019-03-22 公開日 2020-01-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.42 Å) 主引用文献 Loss of GFAT-1 feedback regulation activates the hexosamine pathway that modulates protein homeostasis. Nat Commun, 11, 2020
5Y0G	Crystal structure of human FABP4 complexed with ligand 4-Fluoro-3-((4-methoxynaphthalene)-1-sulfonamido) benzoic acid 分子名称: 4-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid, Fatty acid-binding protein, adipocyte 著者 Su, H.X, Liu, Q.F, Xu, Y.C. 登録日 2017-07-17 公開日 2018-06-06 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.542 Å) 主引用文献 From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4 Eur J Med Chem, 154, 2018
8XIA	X-RAY ANALYSIS OF D-XYLOSE ISOMERASE AT 1.9 ANGSTROMS: NATIVE ENZYME IN COMPLEX WITH SUBSTRATE AND WITH A MECHANISM-DESIGNED INACTIVATOR 分子名称: D-xylose, MANGANESE (II) ION, XYLOSE ISOMERASE 著者 Carrell, H.L, Glusker, J.P. 登録日 1990-10-11 公開日 1991-10-15 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 X-ray analysis of D-xylose isomerase at 1.9 A: native enzyme in complex with substrate and with a mechanism-designed inactivator. Proc.Natl.Acad.Sci.USA, 86, 1989
6OVL	2.1 Angstrom structure of wild type Glyoxylate/Hydroxypyruvate reductase A from Escherichia Coli in complex with glyoxylate and NADP 分子名称: GLYCEROL, GLYOXYLIC ACID, Glyoxylate/hydroxypyruvate reductase A, ... 著者 Vuksanovic, N, Silvaggi, N.R. 登録日 2019-05-08 公開日 2020-05-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 2.1 Angstrom structure of wild type Glyoxylate/Hydroxypyruvate reductase A from Escherichia Coli in complex with glyoxylate and NADP To Be Published
7RSA	STRUCTURE OF PHOSPHATE-FREE RIBONUCLEASE A REFINED AT 1.26 ANGSTROMS 分子名称: RIBONUCLEASE A, TERTIARY-BUTYL ALCOHOL 著者 Wlodawer, A, Gilliland, G.L. 登録日 1988-06-10 公開日 1988-10-09 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 Structure of phosphate-free ribonuclease A refined at 1.26 A. Biochemistry, 27, 1988
6R4E	Crystal structure of human GFAT-1 in complex with Glucose-6-Phosphate and L-Glu 分子名称: GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1 著者 Ruegenberg, S, Horn, M, Pichlo, C, Allmeroth, K, Baumann, U, Denzel, M.S. 登録日 2019-03-22 公開日 2020-01-15 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.353 Å) 主引用文献 Loss of GFAT-1 feedback regulation activates the hexosamine pathway that modulates protein homeostasis. Nat Commun, 11, 2020
6R4H	Crystal structure of human GFAT-1 G451E 分子名称: GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1 著者 Ruegenberg, S, Horn, M, Pichlo, C, Allmeroth, K, Baumann, U, Denzel, M.S. 登録日 2019-03-22 公開日 2020-01-15 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.244 Å) 主引用文献 Loss of GFAT-1 feedback regulation activates the hexosamine pathway that modulates protein homeostasis. Nat Commun, 11, 2020
6R52	Crystal structure of PPEP-1(K101A) 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pro-Pro endopeptidase, ZINC ION 著者 Pichlo, C, Baumann, U. 登録日 2019-03-24 公開日 2019-06-12 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.022 Å) 主引用文献 Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1. J.Biol.Chem., 294, 2019
5Y0X	Crystal structure of human FABP4 complexed with ligand 2-fluoro-3-((4-methoxynaphthalene)-1-sulfonamido)benzoic acid 分子名称: 2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid, Fatty acid-binding protein, adipocyte 著者 Su, H.X, Liu, Q.F, Xu, Y.C. 登録日 2017-07-19 公開日 2018-06-06 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.604 Å) 主引用文献 From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4 Eur J Med Chem, 154, 2018
6R4I	Crystal structure of human GFAT-1 G461E 分子名称: GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1 著者 Ruegenberg, S, Horn, M, Pichlo, C, Allmeroth, K, Baumann, U, Denzel, M.S. 登録日 2019-03-22 公開日 2020-01-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.586 Å) 主引用文献 Loss of GFAT-1 feedback regulation activates the hexosamine pathway that modulates protein homeostasis. Nat Commun, 11, 2020
6X3P	Co-structure of BTK kinase domain with L-005298385 inhibitor 分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... 著者 Fischmann, T.O. 登録日 2020-05-21 公開日 2020-07-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.34 Å) 主引用文献 Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes. Bioorg.Med.Chem.Lett., 30, 2020
5Y13	Crystal structure of human FABP4 complexed with ligand 5-((4-bromonaphthalene)-1-sulfonamido)pentanoic acid 分子名称: 5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid, Fatty acid-binding protein, adipocyte 著者 Su, H.X, Liu, Q.F, Xu, Y.C. 登録日 2017-07-19 公開日 2018-06-06 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4 Eur J Med Chem, 154, 2018
6Y8I	Fragment KCL_I013 in complex with IL-1-beta 分子名称: 1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea, Interleukin-1 beta, SULFATE ION 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-05 公開日 2020-06-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Fragment KCL_I013 in complex with IL-1-beta To Be Published
8ZU2	Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8g 分子名称: 2-azanyl-5-[2-(1,4-diazepan-1-yl)pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide, GLYCINE, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase 著者 Zhang, Z.M, Zhou, Z.Q. 登録日 2024-06-07 公開日 2024-09-11 最終更新日 2024-09-25 実験手法 X-RAY DIFFRACTION (1.79888582 Å) 主引用文献 Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer. J.Med.Chem., 67, 2024
8ZUL	Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8m 分子名称: 2-azanyl-5-[2-[(3~{R})-3-azanylpyrrolidin-1-yl]pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase 著者 Zhang, Z.M, Zhou, Z.Q. 登録日 2024-06-09 公開日 2024-09-11 最終更新日 2024-09-25 実験手法 X-RAY DIFFRACTION (1.80026162 Å) 主引用文献 Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer. J.Med.Chem., 67, 2024
7RDK	Crystal structure of PCDN-16B, an anti-HIV antibody from the PCDN bnAb lineage (cysteinylated state) 分子名称: 1,2-ETHANEDIOL, CYSTEINE, GLYCEROL, ... 著者 Omorodion, O, Wilson, I.A. 登録日 2021-07-09 公開日 2021-11-10 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.46 Å) 主引用文献 Structural and Biochemical Characterization of Cysteinylation in Broadly Neutralizing Antibodies to HIV-1. J.Mol.Biol., 433, 2021
7MEG	CDD-1 beta-lactamase in imidazole/MPD 30 minute avibactam complex 分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... 著者 Smith, C.A, Vakulenko, S.B. 登録日 2021-04-06 公開日 2022-02-16 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases. Acs Infect Dis., 7, 2021
7MOT	Structure of HDAC2 in complex with an inhibitor (compound 9) 分子名称: 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... 著者 Klein, D.J, Yu, W. 登録日 2021-05-03 公開日 2021-07-14 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
5Y0F	Crystal structure of human FABP4 complexed with ligand 2-fluoro-5-((4-methoxynaphthalene)-1-sulfonamido) benzoic acid 分子名称: 2-fluoranyl-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid, Fatty acid-binding protein, adipocyte 著者 Su, H.X, Liu, Q.F, Xu, Y.C. 登録日 2017-07-17 公開日 2018-06-06 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4 Eur J Med Chem, 154, 2018
8VQT	Cryatal structure of Dehaloperoxidase B in complex with substrate 1-methyl-cyclohexene 分子名称: 1-methylcyclohex-1-ene, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase B, ... 著者 de Serrano, V.S, Yun, D, Ghiladi, R.A. 登録日 2024-01-19 公開日 2025-08-13 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Crystal structure of Dehaloperoxidase B in complex with substrate 1-methyl-cyclohexene To Be Published
5Y12	Crystal structure of human FABP4 complexed with ligand 5-((4-methoxynaphthalene)-1-sulfonamido)pentanoic acid 分子名称: 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid, Fatty acid-binding protein, adipocyte 著者 Su, H.X, Liu, Q.F, Xu, Y.C. 登録日 2017-07-19 公開日 2018-06-06 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4 Eur J Med Chem, 154, 2018

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