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6UJJ
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BU of 6ujj by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称: 5-[4-(trifluoromethyl)phenyl]-1H-tetrazole, WD repeat-containing protein 5
著者Phan, J.
登録日2019-10-03
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.731 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
1DDF
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BU of 1ddf by Molmil
FAS DEATH DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: FAS
著者Huang, B, Eberstadt, M, Olejniczak, E, Meadows, R.P, Fesik, S.
登録日1996-11-08
公開日1997-11-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure and mutagenesis of the Fas (APO-1/CD95) death domain.
Nature, 384, 1996
6BW8
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BU of 6bw8 by Molmil
Mcl-1 complexed with small molecules
分子名称: 7-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2017-12-14
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.
J. Med. Chem., 61, 2018
6BW2
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BU of 6bw2 by Molmil
Mcl-1 complexed with small molecules
分子名称: 3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}methyl)benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2017-12-14
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.
J. Med. Chem., 61, 2018
6DM8
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BU of 6dm8 by Molmil
Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors
分子名称: 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog - MBP chimera, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Zhao, B.
登録日2018-06-04
公開日2018-08-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Understanding the Species Selectivity of Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors.
Biochemistry, 57, 2018
1ZP5
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BU of 1zp5 by Molmil
Crystal structure of the complex between MMP-8 and a N-hydroxyurea inhibitor
分子名称: CALCIUM ION, N-{2-[(4'-CYANO-1,1'-BIPHENYL-4-YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA, Neutrophil collagenase, ...
著者Campestre, C, Agamennone, M, Tortorella, P, Preziuso, S, Biasone, A, Gavuzzo, E, Pochetti, G, Mazza, F, Tschesche, H, Gallina, C.
登録日2005-05-16
公開日2005-12-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献N-Hydroxyurea as zinc binding group in matrix metalloproteinase inhibition: Mode of binding in a complex with MMP-8.
Bioorg.Med.Chem.Lett., 16, 2006

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