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5Z8N
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BU of 5z8n by Molmil
Crystal structure of Arabidopsis thaliana EBS C-terminal deletion construct in complex with an H3K4me2 peptide
分子名称: Chromatin remodeling protein EBS, H3K4me2 peptide, ZINC ION
著者Yang, Z, Du, J.
登録日2018-01-31
公開日2018-07-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献EBS is a bivalent histone reader that regulates floral phase transition in Arabidopsis.
Nat. Genet., 50, 2018
6CWA
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BU of 6cwa by Molmil
CRYSTAL STRUCTURE PHGDH IN COMPLEX WITH NADH AND 3-PHOSPHOGLYCERATE AT 1.77 A RESOLUTION
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-PHOSPHOGLYCERIC ACID, D-3-phosphoglycerate dehydrogenase
著者Davies, D.R, Edwards, T.E.
登録日2018-03-30
公開日2019-08-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
4NX2
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BU of 4nx2 by Molmil
Crystal structure of DCYRS complexed with DCY
分子名称: 3,5-dichloro-L-tyrosine, Tyrosine--tRNA ligase
著者Wang, J, Gong, W, Li, J, Gao, F, Li, H.
登録日2013-12-08
公開日2014-09-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014
6VG0
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BU of 6vg0 by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC ISOCITRATE DEHYDROGENASE (IDH1) R132H MUTANT IN COMPLEX WITH NADPH and AGI-15056
分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
著者Padyana, A, Jin, L.
登録日2020-01-07
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
6VEI
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BU of 6vei by Molmil
Crystal Structure of Human Cytosolic Isocitrate Dehydrogenase (IDH1) R132H Mutant in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, ACETATE ION, ...
著者Padyana, A, Jin, L.
登録日2020-01-02
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
6VFZ
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BU of 6vfz by Molmil
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor.
分子名称: 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, CALCIUM ION, Isocitrate dehydrogenase [NADP], ...
著者Padyana, A, Jin, L.
登録日2020-01-07
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
6C6R
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BU of 6c6r by Molmil
Human Squalene Epoxidase (SQLE, Squalene Monooxygenase) structure with FAD
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Padyana, A.K, Jin, L.
登録日2018-01-19
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
6C6P
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BU of 6c6p by Molmil
Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and NB-598
分子名称: (2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Padyana, A.K, Jin, L.
登録日2018-01-19
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
6C6N
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BU of 6c6n by Molmil
Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and Cmpd-4"
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Padyana, A.K, Jin, L.
登録日2018-01-19
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
8YLS
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BU of 8yls by Molmil
Structure of SARS-CoV-2 Mpro in complex with its degrader
分子名称: (4-methoxyphenyl)methyl ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate, 3C-like proteinase nsp5
著者Feng, Y, Li, W, Cheng, S.H, Li, X.B.
登録日2024-03-06
公開日2024-09-04
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Development of novel antivrial agents that induce the degradation of the main protease of human-infecting coronaviruses.
Eur.J.Med.Chem., 275, 2024
8XZZ
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BU of 8xzz by Molmil
Structure of a xylanase Xyl-1 M4 E175A in complex with xylobiose
分子名称: Endo-1,4-beta-xylanase, ZINC ION, beta-D-xylopyranose, ...
著者Xiang, W.L, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T.
登録日2024-01-21
公開日2024-11-27
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Unleashing the Power of Evolution in Xylanase Engineering: Investigating the Role of Distal Mutation Regulation.
J.Agric.Food Chem., 72, 2024
8XZY
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BU of 8xzy by Molmil
Structure of a xylanase Xyl-1 M4 mutant E175A
分子名称: Endo-1,4-beta-xylanase, ZINC ION
著者Xiang, W.L, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T.
登録日2024-01-21
公開日2024-11-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Unleashing the Power of Evolution in Xylanase Engineering: Investigating the Role of Distal Mutation Regulation.
J.Agric.Food Chem., 72, 2024
8XZX
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BU of 8xzx by Molmil
Structure of an engineered xylanase Xyl-1 M4
分子名称: Endo-1,4-beta-xylanase
著者Xiang, W.L, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T.
登録日2024-01-21
公開日2024-11-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Unleashing the Power of Evolution in Xylanase Engineering: Investigating the Role of Distal Mutation Regulation.
J.Agric.Food Chem., 72, 2024
8Y00
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BU of 8y00 by Molmil
Structure of a xylanase Xyl-1 M4 mutant E175A in complex with xylotriose
分子名称: Endo-1,4-beta-xylanase, ZINC ION, beta-D-xylopyranose, ...
著者Xiang, W.L, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T.
登録日2024-01-21
公開日2024-11-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Unleashing the Power of Evolution in Xylanase Engineering: Investigating the Role of Distal Mutation Regulation.
J.Agric.Food Chem., 72, 2024
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