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5KJN
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BU of 5kjn by Molmil
SMYD2 in complex with AZ506
分子名称: (R,R)-2,3-BUTANEDIOL, 5-[2-[4-[2-(1~{H}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide, N-lysine methyltransferase SMYD2, ...
著者Ferguson, A.
登録日2016-06-20
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
5KJM
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BU of 5kjm by Molmil
SMYD2 in complex with AZ931
分子名称: 6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ...
著者Ferguson, A.
登録日2016-06-20
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
5EBT
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BU of 5ebt by Molmil
Tankyrase 1 with Phthalazinone 2
分子名称: (R,R)-2,3-BUTANEDIOL, 4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one, Tankyrase-1, ...
著者Kazmirski, S.L, Johannes, J.
登録日2015-10-19
公開日2016-03-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
Bioorg.Med.Chem.Lett., 25, 2015
6QB6
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BU of 6qb6 by Molmil
Mcl1 in complex with a Fab
分子名称: Fab Heavy Chain, Fab Light Chain, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Hargreaves, D.
登録日2018-12-20
公開日2019-11-06
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
6QB3
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BU of 6qb3 by Molmil
Apo Mcl1 in a complex with a scFv
分子名称: Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55
著者Kazmirski, S, Hargreaves, D.
登録日2018-12-20
公開日2019-11-06
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
6QB4
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BU of 6qb4 by Molmil
Mcl1-scFv complex with an indole acid inhibitor
分子名称: 3-[3-[[(1~{R})-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55
著者Hargreaves, D.
登録日2018-12-20
公開日2019-11-06
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
6QB9
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BU of 6qb9 by Molmil
Structure of an anti-Mcl1 scFv
分子名称: L(+)-TARTARIC ACID, scFv55
著者Hargreaves, D.
登録日2018-12-20
公開日2019-11-06
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
6QBC
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BU of 6qbc by Molmil
structure of anti-Mcl1 Fab
分子名称: Anti-Mcl1 Fab Heavy Chain, Anti-Mcl1 Fab Light Chain
著者Luptak, J.
登録日2018-12-20
公開日2019-11-06
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
6QF9
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BU of 6qf9 by Molmil
Structure of an anti-Mcl1 scFv
分子名称: scFv
著者Luptak, J.
登録日2019-01-09
公開日2019-11-06
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
6QFC
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BU of 6qfc by Molmil
Structure of an anti-Mcl1 scFv
分子名称: DIMETHYL SULFOXIDE, Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55
著者Luptak, J.
登録日2019-01-09
公開日2019-11-06
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
3ZMM
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BU of 3zmm by Molmil
Inhibitors of Jak2 Kinase domain
分子名称: 5-FLUORO-4-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHOXY]-N-(5-METHYL-1H-PYRAZOL-3-YL)-6-MORPHOLINO-PYRIMIDIN-2-AMINE, ACETYL GROUP, TYROSINE-PROTEIN KINASE JAK2
著者Read, J, Green, I, Pollard, H, Howard, T, Mott, R.
登録日2013-02-11
公開日2013-04-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery of Novel Jak2-Stat Pathway Inhibitors with Extended Residence Time on Target.
Bioorg.Med.Chem.Lett., 23, 2013
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