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7SLR
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BU of 7slr by Molmil
HIV Reverse Transcriptase with compound Pyr01
分子名称: 5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H
著者Klein, D.J, Zebisch, M, Gu, M.
登録日2021-10-24
公開日2022-11-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.179 Å)
主引用文献Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1.
Sci Transl Med, 15, 2023
7UDQ
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BU of 7udq by Molmil
Crystal structure of COQ8A-CA157 inhibitor complex in space group P1
分子名称: 4-[(3,4,5-trimethoxyphenyl)amino]quinoline-7-carbonitrile, Atypical kinase COQ8A, mitochondrial, ...
著者Bingman, C.A, Murray, N, Smith, R.W, Pagliarini, D.J.
登録日2022-03-20
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Small-molecule inhibition of the archetypal UbiB protein COQ8.
Nat.Chem.Biol., 19, 2023
7UDP
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BU of 7udp by Molmil
Crystal structure of COQ8A-CA157 inhibitor complex in space group C2
分子名称: 4-[(3,4,5-trimethoxyphenyl)amino]quinoline-7-carbonitrile, Atypical kinase COQ8A, mitochondrial
著者Bingman, C.A, Murray, N, Smith, R.W, Pagliarini, D.J.
登録日2022-03-20
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Small-molecule inhibition of the archetypal UbiB protein COQ8.
Nat.Chem.Biol., 19, 2023
8HHT
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BU of 8hht by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide
著者Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
登録日2022-11-17
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
8HHU
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BU of 8hhu by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with SY110
分子名称: (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5
著者Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
登録日2022-11-17
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.258 Å)
主引用文献A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
7SVL
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BU of 7svl by Molmil
DPP9 IN COMPLEX WITH LIGAND ICeD-2
分子名称: (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 9
著者Lammens, A, Hollenstein, K, Klein, D.J.
登録日2021-11-19
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
7CLZ
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BU of 7clz by Molmil
Crystal structure of Alp1U W187F/Y247F in complex with fluostatin C
分子名称: BORIC ACID, D-MALATE, Fluostatin C, ...
著者Zhang, L, De, B.C.
登録日2020-07-22
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.10001016 Å)
主引用文献Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U.
J.Biol.Chem., 295, 2020

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件を2024-09-11に公開中

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