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6V52
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BU of 6v52 by Molmil
IDO1 IN COMPLEX WITH COMPOUND 1
分子名称: 3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide, Indoleamine 2,3-dioxygenase 1
著者Lesburg, C.A, Koenig, K.V, Augustin, M.A.
登録日2019-12-03
公開日2020-04-08
最終更新日2020-04-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Strategic Incorporation of Polarity in Heme-Displacing Inhibitors of Indoleamine-2,3-dioxygenase-1 (IDO1).
Acs Med.Chem.Lett., 11, 2020
7LUF
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BU of 7luf by Molmil
HSV1 polymerase ternary complex with dsDNA and PNU-183792
分子名称: DNA (5'-D(*CP*GP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*AP*TP*GP*GP*TP*AP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*CP*G)-3'), DNA polymerase, ...
著者Hayes, R.P, Klein, D.
登録日2021-02-22
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural understanding of non-nucleoside inhibition in an elongating herpesvirus polymerase.
Nat Commun, 12, 2021
8T7D
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BU of 8t7d by Molmil
Crystal structure of wild type IDH1 bound to compound 1
分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, N-(4-tert-butylphenyl)-7,8-dimethyl-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepine-6-carboxamide
著者Lu, J, Abeywickrema, P, Heo, M.R, Parthasarathy, G, McCoy, M, Soisson, S.M.
登録日2023-06-20
公開日2024-08-28
実験手法X-RAY DIFFRACTION (3.444 Å)
主引用文献Mechanistic and Biostructural Studies of Mutant IDH1
To Be Published
8T7O
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BU of 8t7o by Molmil
Crystal structure of the R132H mutant of IDH1 bound to AG-120
分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ivosidenib
著者Lu, J, Abeywickrema, P, Heo, M.R, Parthasarathy, G, McCoy, M, Soisson, S.M.
登録日2023-06-20
公開日2024-08-28
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献Mechanistic and Biostructural Studies of Mutant IDH1
To Be Published
8T7N
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BU of 8t7n by Molmil
Crystal structure of the R132H mutant of IDH1 bound to compound 1
分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, N-(4-tert-butylphenyl)-7,8-dimethyl-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepine-6-carboxamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Lu, J, Abeywickrema, P, Heo, M.R, Parthasarathy, G, McCoy, M, Soisson, S.M.
登録日2023-06-20
公開日2024-08-28
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Mechanistic and Biostructural Studies of Mutant IDH1
To Be Published
8VQ2
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BU of 8vq2 by Molmil
HSV1 polymerase ternary complex with dsDNA and compound 44
分子名称: 2-(4-bromophenyl)-N-(3-methoxy-4-{[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl}phenyl)acetamide, DNA (5'-D(P*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*TP*GP*GP*TP*AP*GP*GP*GP*GP*AP*AP*GP*GP*AP*T)-3'), ...
著者Hayes, R.P, Heo, M.R, Plotkin, M.
登録日2024-01-17
公開日2024-08-28
実験手法X-RAY DIFFRACTION (3.829 Å)
主引用文献Discovery of Broad-Spectrum Herpes Antiviral Oxazolidinone Amide Derivatives and Their Structure-Activity Relationships.
Acs Med.Chem.Lett., 15, 2024

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件を2024-11-06に公開中

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