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PDB: 6 件

8C8S
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BU of 8c8s by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21).
分子名称: (2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, DNA cross-link repair 1A protein, ZINC ION
著者Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
登録日2023-01-20
公開日2024-01-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target.
Chem Sci, 15, 2024
8C8B
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BU of 8c8b by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 48).
分子名称: 4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide, DNA cross-link repair 1A protein, ZINC ION
著者Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
登録日2023-01-19
公開日2024-01-31
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target.
Chem Sci, 15, 2024
8C8D
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BU of 8c8d by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 44).
分子名称: (2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, DNA cross-link repair 1A protein, ZINC ION
著者Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
登録日2023-01-19
公開日2024-01-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target.
Chem Sci, 15, 2024
8CEW
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BU of 8cew by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with N-hydroxyimide inhibitor H1
分子名称: 6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ...
著者Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
登録日2023-02-02
公開日2024-02-21
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target.
Chem Sci, 15, 2024
8CF0
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BU of 8cf0 by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with quinoxalinedione inhibitor H2
分子名称: 9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ...
著者Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
登録日2023-02-02
公開日2024-02-21
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target.
Chem Sci, 15, 2024
8CG9
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BU of 8cg9 by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with a cyclic N-hydroxyurea inhibitor
分子名称: 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, 1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione, DNA cross-link repair 1A protein, ...
著者Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
登録日2023-02-03
公開日2024-02-21
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target.
Chem Sci, 15, 2024

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件を2024-11-13に公開中

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