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7OZD
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BU of 7ozd by Molmil
FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 34.
分子名称: 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide, ...
著者Trinh, C.H, Turner, L.D, Fishwick, C.W.G.
登録日2021-06-27
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
J.Med.Chem., 65, 2022
7OZB
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BU of 7ozb by Molmil
FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 38.
分子名称: 1,2-ETHANEDIOL, 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol, Fibroblast growth factor receptor 1, ...
著者Trinh, C.H, Turner, L.D, Fishwick, C.W.G.
登録日2021-06-27
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
J.Med.Chem., 65, 2022
7OZF
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BU of 7ozf by Molmil
FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 19.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Fibroblast growth factor receptor 1, ...
著者Trinh, C.H, Turner, L.D, Fishwick, C.W.G.
登録日2021-06-28
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
J.Med.Chem., 65, 2022
7OZY
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BU of 7ozy by Molmil
FGFR2 kinase domain (residues 461-763) in complex with 38.
分子名称: 1,2-ETHANEDIOL, 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol, Fibroblast growth factor receptor 2, ...
著者Trinh, C.H, Turner, L.D, Fishwick, C.W.G.
登録日2021-06-29
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
J.Med.Chem., 65, 2022
7N18
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BU of 7n18 by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by a Chiral Hydroxamic Acid
分子名称: (3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide, (3S)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide, Botulinum neurotoxin type A, ...
著者Silvaggi, N.R, Allen, K.N.
登録日2021-05-27
公開日2022-07-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease.
Acs Med.Chem.Lett., 12, 2021
6XCF
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BU of 6xcf by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with noncovalent inhibitor 59
分子名称: (3R)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-pentylpentanediamide, Botulinum neurotoxin type A, ZINC ION
著者Tararina, M.A, Allen, K.N.
登録日2020-06-08
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCB
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BU of 6xcb by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 20
分子名称: Botulinum neurotoxin type A, N-hydroxy-6-sulfanylhexanamide, ZINC ION
著者Tararina, M.A, Allen, K.N.
登録日2020-06-08
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCC
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BU of 6xcc by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 21
分子名称: Botulinum neurotoxin type A, N-hydroxy-5-sulfanylpentanamide, ZINC ION
著者Tararina, M.A, Allen, K.N.
登録日2020-06-08
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCD
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BU of 6xcd by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 22
分子名称: Botulinum neurotoxin type A, N-hydroxy-7-sulfanylheptanamide, ZINC ION
著者Tararina, M.A, Allen, K.N.
登録日2020-06-08
公開日2021-06-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCE
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BU of 6xce by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 53
分子名称: (3S)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-(3-sulfanylpropyl)pentanediamide, Botulinum neurotoxin type A
著者Tararina, M.A, Allen, K.N.
登録日2020-06-08
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020

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件を2024-09-04に公開中

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