5YJP
| Human chymase in complex with 3-(ethoxyimino)-7-oxo-1,4-diazepane derivative | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-3-(ethoxyimino)-7-oxo-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ... | 著者 | Sugawara, H. | 登録日 | 2017-10-11 | 公開日 | 2017-12-27 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors Bioorg. Med. Chem. Lett., 28, 2018
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5YP6
| RORgamma (263-509) complexed with SRC2 and Compound 6 | 分子名称: | N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, SRC2 | 著者 | Gao, M, Cai, W. | 登録日 | 2017-11-01 | 公開日 | 2018-02-07 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists ACS Med Chem Lett, 9, 2018
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5YC5
| Crystal structure of human IgG-Fc in complex with aglycan and optimized Fc gamma receptor IIIa | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Immunoglobulin gamma-1 heavy chain, ... | 著者 | Caaveiro, J.M.M, Tamura, H, Tsumoto, K, Kiyoshi, M. | 登録日 | 2017-09-06 | 公開日 | 2018-03-21 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Assessing the Heterogeneity of the Fc-Glycan of a Therapeutic Antibody Using an engineered Fc gamma Receptor IIIa-Immobilized Column. Sci Rep, 8, 2018
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7F8T
| Re-refinement of the 2XRY X-ray structure of archaeal class II CPD photolyase from Methanosarcina mazei | 分子名称: | Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | 登録日 | 2021-07-02 | 公開日 | 2022-03-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme. Nat.Chem., 14, 2022
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5YJM
| Human chymase in complex with 7-oxo-3-(phenoxyimino)-1,4-diazepane derivative | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ... | 著者 | Sugawara, H. | 登録日 | 2017-10-11 | 公開日 | 2017-12-27 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors Bioorg. Med. Chem. Lett., 28, 2018
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5YP5
| Crystal structure of RORgamma complexed with SRC2 and compound 5d | 分子名称: | 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide, Nuclear receptor ROR-gamma, SRC2-2 peptide | 著者 | Gao, M, Cai, W, Chunwa, C. | 登録日 | 2017-11-01 | 公開日 | 2018-04-04 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists ACS Med Chem Lett, 9, 2018
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5AXQ
| Crystal structure of the catalytic domain of PDE10A complexed with highly potent and brain-penetrant PDE10A Inhibitor with 2-oxindole scaffold | 分子名称: | 1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one, 3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one, MAGNESIUM ION, ... | 著者 | Oki, H, Zama, Y. | 登録日 | 2015-07-31 | 公開日 | 2015-11-11 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Design and synthesis of a novel 2-oxindole scaffold as a highly potent and brain-penetrant phosphodiesterase 10A inhibitor Bioorg.Med.Chem., 23, 2015
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6O0G
| M.tb MenD bound to Intermediate I and Inhibitor | 分子名称: | 1,4-dihydroxy-2-naphthoic acid, 2-OXOGLUTARIC ACID, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, ... | 著者 | Johnston, J.M, Bashiri, G, Bulloch, E.M.M, Jirgis, E.M.N, Chuang, H, Nigon, L.V, Baker, E.N. | 登録日 | 2019-02-16 | 公開日 | 2020-02-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis. J.Biol.Chem., 295, 2020
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6O0J
| M.tb MenD with ThDP and Inhibitor bound | 分子名称: | 1,4-dihydroxy-2-naphthoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, ACETATE ION, ... | 著者 | Johnston, J.M, Bashiri, G, Bulloch, E.M.M, Jirgis, E.M.N, Nigon, L.V, Chuang, H, Ho, N.A.T, Baker, E.N. | 登録日 | 2019-02-16 | 公開日 | 2020-02-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis. J.Biol.Chem., 295, 2020
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5AXP
| Crystal structure of the catalytic domain of PDE10A complexed with 1-(2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one | 分子名称: | 3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Oki, H, Zama, Y. | 登録日 | 2015-07-31 | 公開日 | 2015-11-11 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Design and synthesis of a novel 2-oxindole scaffold as a highly potent and brain-penetrant phosphodiesterase 10A inhibitor Bioorg.Med.Chem., 23, 2015
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6O0N
| M.tb MenD with Inhibitor | 分子名称: | 1,4-dihydroxy-2-naphthoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | 著者 | Johnston, J.M, Ho, N.A.T, Bashiri, G, Bulloch, E.M, Nigon, L.V, Jirgis, E.M.N, Baker, E.N. | 登録日 | 2019-02-16 | 公開日 | 2020-02-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.03 Å) | 主引用文献 | Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis. J.Biol.Chem., 295, 2020
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6O04
| M.tb MenD IntII bound with Inhibitor | 分子名称: | (1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl (phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid, 1,4-dihydroxy-2-naphthoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, ... | 著者 | Johnston, J.M, Bashiri, G, Bulloch, E.M, Jirgis, E.M.N, Nigon, L.V, Chuang, H, Baker, E.N. | 登録日 | 2019-02-15 | 公開日 | 2020-02-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis. J.Biol.Chem., 295, 2020
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7KQL
| Anti-Tim3 antibody Fab complex | 分子名称: | GLYCEROL, Hepatitis A virus cellular receptor 2, Tim3.18 Fab heavy chain, ... | 著者 | Deng, X.A, West, S.M, Strop, P. | 登録日 | 2020-11-16 | 公開日 | 2022-02-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Tim-3 mediates T cell trogocytosis to limit antitumor immunity. J.Clin.Invest., 132, 2022
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7M2N
| Crystal structure of Human Lactate Dehydrogenase A with Inhibitor Compound 15 | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, ... | 著者 | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | 登録日 | 2021-03-17 | 公開日 | 2021-07-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria ACS Medicinal Chemistry Letters, 12, 2021
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7M2O
| Crystal structure of Human Glycolate Oxidase with Inhibitor Compound 15 | 分子名称: | 1,2-ETHANEDIOL, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | 著者 | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | 登録日 | 2021-03-17 | 公開日 | 2021-07-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria ACS Medicinal Chemistry Letters, 12, 2021
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7XJI
| Solabegron-activated dog beta3 adrenergic receptor | 分子名称: | 3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid, Beta-3 adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Shihoya, W, Nureki, O. | 登録日 | 2022-04-18 | 公開日 | 2022-05-04 | 最終更新日 | 2022-06-29 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Cryo-EM structures of the beta 3 adrenergic receptor bound to solabegron and isoproterenol. Biochem.Biophys.Res.Commun., 611, 2022
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6A77
| Crystal structure of the fifth immunoglobulin domain (Ig5) of human Robo1 in complex with the Fab fragment of murine monoclonal antibody B5209B | 分子名称: | Heavy chain of the anti-human Robo1 antibody B5209B Fab, Light chain of the anti-human Robo1 antibody B5209B Fab, Roundabout homolog 1 | 著者 | Mizohata, E, Nakayama, T, Kado, Y, Inoue, T. | 登録日 | 2018-07-02 | 公開日 | 2019-01-30 | 最終更新日 | 2019-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Affinity Improvement of a Cancer-Targeted Antibody through Alanine-Induced Adjustment of Antigen-Antibody Interface. Structure, 27, 2019
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6A76
| Crystal structure of the Fab fragment of B5209B, a murine monoclonal antibody specific for the fifth immunoglobulin domain (Ig5) of human ROBO1 | 分子名称: | GLYCEROL, Heavy chain of the anti-human Robo1 antibody B5209B Fab, Light chain of the anti-human Robo1 antibody B5209B Fab, ... | 著者 | Mizohata, E, Nakayama, T, Kado, Y, Inoue, T. | 登録日 | 2018-07-02 | 公開日 | 2019-01-30 | 最終更新日 | 2019-03-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Affinity Improvement of a Cancer-Targeted Antibody through Alanine-Induced Adjustment of Antigen-Antibody Interface. Structure, 27, 2019
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6A79
| Crystal structure of the fifth immunoglobulin domain (Ig5) of human Robo1 in complex with the mutant scFv fragment (P103A) of murine monoclonal antibody B5209B | 分子名称: | Heavy chain of the anti-human Robo1 antibody B5209B scFv, Light chain region of the anti-human Robo1 antibody B5209B scFv, Roundabout homolog 1, ... | 著者 | Mizohata, E, Nakayama, T, Kado, Y, Yokota, Y, Inoue, T. | 登録日 | 2018-07-02 | 公開日 | 2019-01-30 | 最終更新日 | 2019-03-20 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Affinity Improvement of a Cancer-Targeted Antibody through Alanine-Induced Adjustment of Antigen-Antibody Interface. Structure, 27, 2019
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1T4V
| Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin | 分子名称: | Hirudin IIIA, N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-3-CHLORO-N-CYCLOPENTYLBENZAMIDE, Prothrombin | 著者 | Spurlino, J. | 登録日 | 2004-04-30 | 公開日 | 2005-03-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Oxyguanidines. Part 2: Discovery of a novel orally active thrombin inhibitor through structure-based drug design and parallel synthesis BIOORG.MED.CHEM.LETT., 14, 2004
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6J6U
| Rat PTPRZ D1-D2 domain | 分子名称: | Receptor-type tyrosine-protein phosphatase zeta | 著者 | Sugawara, H. | 登録日 | 2019-01-15 | 公開日 | 2019-08-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.32 Å) | 主引用文献 | A head-to-toe dimerization has physiological relevance for ligand-induced inactivation of protein tyrosine receptor type Z. J.Biol.Chem., 294, 2019
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7UVB
| CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT021601 | 分子名称: | 2-hydroxy-6-({(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl}methoxy)benzaldehyde, FORMYL GROUP, Hemoglobin subunit alpha, ... | 著者 | Partridge, J.R, Kaya, E, Xu, Q, Li, Z, Strutt, S.C, Cathers, B.E. | 登録日 | 2022-04-29 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | GBT021601 improves red blood cell health and the pathophysiology of sickle cell disease in a murine model. Br.J.Haematol., 202, 2023
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5FVG
| Structure of IrisFP at 100 K. | 分子名称: | Green to red photoconvertible GFP-like protein EosFP, SULFATE ION | 著者 | Colletier, J.P, Gallat, F.X, Coquelle, N, Weik, M. | 登録日 | 2016-02-07 | 公開日 | 2017-01-11 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Serial Femtosecond Crystallography and Ultrafast Absorption Spectroscopy of the Photoswitchable Fluorescent Protein Irisfp. J.Phys.Chem.Lett, 7, 2016
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1T4U
| Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin | 分子名称: | 2-METHANESULFONYL-BENZENESULFONIC ACID 3-METHYL-5-((1-AMIDINOAMINOOXYMETHYL-CYCLOPROPYL)METHYLOXY)-PHENYLESTER, Hirudin IIIA, Prothrombin | 著者 | Spurlino, J. | 登録日 | 2004-04-30 | 公開日 | 2005-03-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Oxyguanidines. Part 2: Discovery of a novel orally active thrombin inhibitor through structure-based drug design and parallel synthesis BIOORG.MED.CHEM.LETT., 14, 2004
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7WN2
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