5Z8N
 
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6CWA
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4NX2
 | | Crystal structure of DCYRS complexed with DCY | | Descriptor: | 3,5-dichloro-L-tyrosine, Tyrosine--tRNA ligase | | Authors: | Wang, J, Gong, W, Li, J, Gao, F, Li, H. | | Deposit date: | 2013-12-08 | | Release date: | 2014-09-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014
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6VG0
 | | CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC ISOCITRATE DEHYDROGENASE (IDH1) R132H MUTANT IN COMPLEX WITH NADPH and AGI-15056 | | Descriptor: | 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 | | Authors: | Padyana, A, Jin, L. | | Deposit date: | 2020-01-07 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | 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
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6VEI
 | | Crystal Structure of Human Cytosolic Isocitrate Dehydrogenase (IDH1) R132H Mutant in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor | | Descriptor: | 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, ... | | Authors: | Padyana, A, Jin, L. | | Deposit date: | 2020-01-02 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 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
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6VFZ
 | | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor. | | Descriptor: | 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], ... | | Authors: | Padyana, A, Jin, L. | | Deposit date: | 2020-01-07 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | 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
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6C6R
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6C6P
 | | Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and NB-598 | | Descriptor: | (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, ... | | Authors: | Padyana, A.K, Jin, L. | | Deposit date: | 2018-01-19 | | Release date: | 2019-01-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
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6C6N
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8YLS
 | | Structure of SARS-CoV-2 Mpro in complex with its degrader | | Descriptor: | (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 | | Authors: | Feng, Y, Li, W, Cheng, S.H, Li, X.B. | | Deposit date: | 2024-03-06 | | Release date: | 2024-09-04 | | Last modified: | 2025-03-19 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Development of novel antivrial agents that induce the degradation of the main protease of human-infecting coronaviruses.
Eur.J.Med.Chem., 275, 2024
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8XZZ
 | | Structure of a xylanase Xyl-1 M4 E175A in complex with xylobiose | | Descriptor: | Endo-1,4-beta-xylanase, ZINC ION, beta-D-xylopyranose, ... | | Authors: | Xiang, W.L, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2024-01-21 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | 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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8XZY
 | | Structure of a xylanase Xyl-1 M4 mutant E175A | | Descriptor: | Endo-1,4-beta-xylanase, ZINC ION | | Authors: | Xiang, W.L, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2024-01-21 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | 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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8XZX
 | | Structure of an engineered xylanase Xyl-1 M4 | | Descriptor: | Endo-1,4-beta-xylanase | | Authors: | Xiang, W.L, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2024-01-21 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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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8Y00
 | | Structure of a xylanase Xyl-1 M4 mutant E175A in complex with xylotriose | | Descriptor: | Endo-1,4-beta-xylanase, ZINC ION, beta-D-xylopyranose, ... | | Authors: | Xiang, W.L, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2024-01-21 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | 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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