6ISD
 
 | | Crystal structure of Arabidopsis thaliana HPPD complexed with sulcotrione | | 分子名称: | 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | 著者 | Yang, W.C, Yang, G.F. | | 登録日 | 2018-11-16 | | 公開日 | 2018-11-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Molecular insights into the mechanism of 4-hydroxyphenylpyruvate dioxygenase inhibition: enzyme kinetics, X-ray crystallography and computational simulations.
FEBS J., 286, 2019
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6J63
 | | Crystal structure of Arabidopsis thaliana HPPD complexed with NTBC | | 分子名称: | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE, 4-hydroxyphenylpyruvate dioxygenase, FE (III) ION | | 著者 | Yang, W.C, Yang, G.F. | | 登録日 | 2019-01-13 | | 公開日 | 2019-02-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.624 Å) | | 主引用文献 | Molecular insights into the mechanism of 4-hydroxyphenylpyruvate dioxygenase inhibition: enzyme kinetics, X-ray crystallography and computational simulations.
FEBS J., 286, 2019
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5HFU
 | | Crystal Structure of Human Hexokinase 2 with cmpd 27, a 2-amido-6-benzenesulfonamide glucosamine | | 分子名称: | Hexokinase-2, ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide | | 著者 | Campobasso, N, Zhao, B, Smallwood, A. | | 登録日 | 2016-01-07 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.923 Å) | | 主引用文献 | Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
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5HEX
 | | Crystal Structure of Human Hexokinase 2 with cmpd 30, a 2-amino-6-benzenesulfonamide glucosamine | | 分子名称: | 2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-D-glucopyranos e, Hexokinase-2 | | 著者 | Campobasso, N, Zhao, B, Smallwood, A. | | 登録日 | 2016-01-06 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.734 Å) | | 主引用文献 | Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
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5HG1
 | | Crystal Structure of Human Hexokinase 2 with cmpd 1, a C-2-substituted glucosamine | | 分子名称: | 2-deoxy-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose, CITRATE ANION, ... | | 著者 | Campobasso, N, Zhao, B, Smallwood, A. | | 登録日 | 2016-01-07 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
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1QOH
 | | A MUTANT SHIGA-LIKE TOXIN IIE | | 分子名称: | SHIGA-LIKE TOXIN IIE B SUBUNIT | | 著者 | Pannu, N.S, Boodhoo, A, Armstrong, G.D, Clark, C.G, Brunton, J.L, Read, R.J. | | 登録日 | 1999-11-08 | | 公開日 | 2000-07-03 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | A Mutant Shiga-Like Toxin Iie Bound to its Receptor Gb(3): Structure of a Group II Shiga-Like Toxin with Altered Binding Specificity
Structure, 8, 2000
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9AZX
 | | Crystal structure of SARS-CoV-2 (Covid-19) Nsp3 macrodomain in complex with NDPr | | 分子名称: | Non-structural protein 3, {(2R,3S,4R,5R)-5-[(8S)-4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-cyano-3,4-dihydroxyoxolan-2-yl}methyl [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate | | 著者 | Wallace, S.D, Bagde, S.R, Fromme, J.C. | | 登録日 | 2024-03-11 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.395 Å) | | 主引用文献 | GS-441524-Diphosphate-Ribose Derivatives as Nanomolar Binders and Fluorescence Polarization Tracers for SARS-CoV-2 and Other Viral Macrodomains.
Acs Chem.Biol., 19, 2024
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8I1O
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8I1N
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8I1M
 | | Crystal structure of oxidated APSK1 domain from human PAPSS1 in complex with APS and ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, PAPSS1 protein, ... | | 著者 | Zhang, L, Song, W.Y, Zhang, L. | | 登録日 | 2023-01-13 | | 公開日 | 2023-06-28 | | 最終更新日 | 2023-07-19 | | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | | 主引用文献 | Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
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5I0W
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3ZG6
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4X3O
 | | Sirt2 in complex with a myristoyl peptide | | 分子名称: | 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... | | 著者 | Wang, Y, Zhang, W.Z, Hao, Q. | | 登録日 | 2014-12-01 | | 公開日 | 2016-01-13 | | 最終更新日 | 2022-04-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Deacylation Mechanism by SIRT2 Revealed in the 1'-SH-2'-O-Myristoyl Intermediate Structure.
Cell Chem Biol, 24, 2017
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6MD4
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6MD1
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6MCZ
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8HAD
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8HAC
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3N9M
 | | ceKDM7A from C.elegans, alone | | 分子名称: | FE (II) ION, Putative uncharacterized protein, ZINC ION | | 著者 | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | | 登録日 | 2010-05-31 | | 公開日 | 2010-06-30 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.493 Å) | | 主引用文献 | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
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3N9P
 | | ceKDM7A from C.elegans, complex with H3K4me3K27me2 peptide and NOG | | 分子名称: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | | 著者 | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | | 登録日 | 2010-05-31 | | 公開日 | 2010-06-30 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.388 Å) | | 主引用文献 | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
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3N9O
 | | ceKDM7A from C.elegans, complex with H3K4me3 peptide, H3K9me2 peptide and NOG | | 分子名称: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | | 著者 | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | | 登録日 | 2010-05-31 | | 公開日 | 2010-06-30 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.309 Å) | | 主引用文献 | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
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3N9Q
 | | ceKDM7A from C.elegans, complex with H3K4me3 peptide, H3K27me2 peptide and NOG | | 分子名称: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | | 著者 | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | | 登録日 | 2010-05-31 | | 公開日 | 2010-06-30 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
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3N9N
 | | ceKDM7A from C.elegans, complex with H3K4me3K9me2 peptide and NOG | | 分子名称: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | | 著者 | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | | 登録日 | 2010-05-31 | | 公開日 | 2010-06-30 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | | 主引用文献 | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
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3N9L
 | | ceKDM7A from C.elegans, complex with H3K4me3 peptide and NOG | | 分子名称: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | | 著者 | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | | 登録日 | 2010-05-31 | | 公開日 | 2010-06-30 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.796 Å) | | 主引用文献 | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
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5CEO
 | | DLK in complex with inhibitor 2-((6-(3,3-difluoropyrrolidin-1-yl)-4-(1-(oxetan-3-yl)piperidin-4-yl)pyridin-2-yl)amino)isonicotinonitrile | | 分子名称: | 2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile, Mitogen-activated protein kinase kinase kinase 12 | | 著者 | HARRIS, S.F, YIN, J. | | 登録日 | 2015-07-07 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
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