8JNP
 
 | | Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with the substrate ikarugamycin | | 分子名称: | (1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione, Cytochrome P450 CftA, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Jiang, P, Zhang, L.P, Zhang, C.S. | | 登録日 | 2023-06-06 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8JOO
 | | Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate ikarugamycin | | 分子名称: | (1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione, Cytochrome P450, FORMIC ACID, ... | | 著者 | Zhang, Y.L, Zhang, L.P, Zhang, C.S. | | 登録日 | 2023-06-08 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8JUA
 | | Multifunctional cytochrome P450 enzyme IkaD from Streptomyces sp. ZJ306, in complex with epoxyikarugamycin | | 分子名称: | (1Z,3E,5S,7R,8R,10R,11R,12S,13R,15S,16R,17S,19Z,26S)-11-ethyl-2-hydroxy-10-methyl-22,27-diaza-14 oxahexacyclo[24.2.1.05,17.07,16.013,15.08,12]nonacosa-1(2),3,19-triene-21,28,29-trione, Cytochrome P450, FORMIC ACID, ... | | 著者 | Zhang, Y.L, Zhang, L.P, Zhang, C.S. | | 登録日 | 2023-06-26 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.00001121 Å) | | 主引用文献 | A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8JNO
 | | Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-deOH-HSAF | | 分子名称: | (1Z,3E,5S,7S,8R,9S,10S,11R,13R,15R,16S,18Z,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-20,27,28-trione, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Zhang, Y.L, Zhang, L.P, Zhang, C.S. | | 登録日 | 2023-06-06 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
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3FM9
 | | Analysis of the Structural Determinants Underlying Discrimination between Substrate and Solvent in beta-Phosphoglucomutase Catalysis | | 分子名称: | Beta-phosphoglucomutase, MAGNESIUM ION | | 著者 | Finci, L, Lahiri, S, Peisach, E, Allen, K.N. | | 登録日 | 2008-12-19 | | 公開日 | 2009-06-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Analysis of the structural determinants underlying discrimination between substrate and solvent in beta-phosphoglucomutase catalysis.
Biochemistry, 48, 2009
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6DUV
 | | Crystal structure of the second bromodomain of human BRD4 in complex with MS417 inhibitor | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate | | 著者 | Babault, N, Zhou, M.M. | | 登録日 | 2018-06-22 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Role of Bound Water Molecules in Differential Recognition of Di-Acetylated Histone Peptides by the BRD4 Bromodomains
To be published
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4TY7
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4TY6
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1TBO
 | | NMR STRUCTURE OF A PROTEIN KINASE C-G PHORBOL-BINDING DOMAIN, 30 STRUCTURES | | 分子名称: | PROTEIN KINASE C, GAMMA TYPE, ZINC ION | | 著者 | Xu, R.X, Pawelczyk, T, Xia, T, Brown, S.C. | | 登録日 | 1997-04-15 | | 公開日 | 1998-04-29 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR structure of a protein kinase C-gamma phorbol-binding domain and study of protein-lipid micelle interactions.
Biochemistry, 36, 1997
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6ZW1
 | | X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor SW101 | | 分子名称: | 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide, GLYCEROL, Histone deacetylase 6, ... | | 著者 | Barinka, C, Motlova, L, Ustinova, K. | | 登録日 | 2020-07-27 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Tetrahydroquinoline-Capped Histone Deacetylase 6 Inhibitor SW-101 Ameliorates Pathological Phenotypes in a Charcot-Marie-Tooth Type 2A Mouse Model.
J.Med.Chem., 64, 2021
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8JPQ
 | | SARS-CoV-2 Mpro in complex with D-5-96 | | 分子名称: | ACETIC ACID, ALANINE, ISOLEUCINE, ... | | 著者 | Liu, M, Huang, H. | | 登録日 | 2023-06-12 | | 公開日 | 2023-08-23 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8WBB
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8WBC
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8WBE
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8WBD
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8WSP
 | | Crystal structure of SFTSV Gn and antibody SF5 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab5-H, Ab5-L, ... | | 著者 | Chang, Z, Gao, F, Wu, Y. | | 登録日 | 2023-10-17 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8WQW
 | | Cryo-EM structure of bsAb3 Fab-Gn-Gc complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein C, Glycoprotein N, ... | | 著者 | Wu, Y, Sun, J.Q. | | 登録日 | 2023-10-12 | | 公開日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | | 主引用文献 | Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8WSU
 | | Crystal structure of SFTSV Gc and antibody | | 分子名称: | Ab-H, Ab-L, Glycoprotein C | | 著者 | Chang, Z, Gao, F, Wu, Y. | | 登録日 | 2023-10-17 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8WSN
 | | Crystal structure of SFTSV Gn and antibody SF1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab1-H, ... | | 著者 | Chang, Z, Gao, F, Wu, Y. | | 登録日 | 2023-10-17 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6PLF
 | | Crystal structure of human PHGDH complexed with Compound 1 | | 分子名称: | 1,2-ETHANEDIOL, 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid, D-3-phosphoglycerate dehydrogenase | | 著者 | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | | 登録日 | 2019-06-30 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
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4Y8X
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6R0K
 | | X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with a inhibitor SS208 | | 分子名称: | 5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{N}-oxidanyl-1,2-oxazole-3-carboxamide, Histone deacetylase 6, POTASSIUM ION, ... | | 著者 | Barinka, C, Ustinova, K, Motlova, L, Pavlicek, J. | | 登録日 | 2019-03-13 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Discovery of a New Isoxazole-3-hydroxamate-Based Histone Deacetylase 6 Inhibitor SS-208 with Antitumor Activity in Syngeneic Melanoma Mouse Models.
J.Med.Chem., 62, 2019
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7KGY
 | | Beta-glucuronidase from Faecalibacterium prausnitzii bound to the inhibitor UNC10201652-glucuronide | | 分子名称: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, Beta-glucuronidase, GLYCEROL | | 著者 | Simpson, J.B, Redinbo, M.R. | | 登録日 | 2020-10-19 | | 公開日 | 2021-11-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
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7KGZ
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6V5A
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