6FS1
 
 | | MCL1 in complex with an indole acid ligand | | 分子名称: | 1,2-ETHANEDIOL, 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Kasmirski, S, Hargreaves, D. | | 登録日 | 2018-02-18 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
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4A7B
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1CUK
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4UU9
 | | Crystal structure of the human c5a in complex with MEDI7814 a neutralising antibody | | 分子名称: | COMPLEMENT C5, MEDI7814, SULFATE ION | | 著者 | Colley, C, Sridharan, S, Dobson, C, Popovic, B, Debreczeni, J.E, Hargreaves, D, Edwards, B, Brennan, J, England, L, Fung, S, An Eghobamien, L, Sivars, U, Woods, R, Flavell, L, Renshaw, G.J, Wickson, K, Wilkinson, T, Davies, R, Bonnell, J, Warrener, P, Howes, R, Vaughan, T. | | 登録日 | 2014-07-25 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Structure and characterization of a high affinity C5a monoclonal antibody that blocks binding to C5aR1 and C5aR2 receptors.
MAbs, 10, 2018
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6QFC
 | | 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
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6QBC
 | | 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
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6QF9
 | | 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
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3Q2H
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3Q2G
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5KU9
 | | Crystal structure of MCL1 with compound 1 | | 分子名称: | (3~{S})-3-azanyl-4-(4-bromophenyl)-~{N}-[(3~{S})-1-[2-[[(2~{R})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{H}-1-benzazepin-3-yl]butanamide, Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION | | 著者 | Ferguson, A.D. | | 登録日 | 2016-07-13 | | 公開日 | 2017-01-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
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4JP4
 | | Mmp13 in complex with a reverse hydroxamate Zn-binder | | 分子名称: | CALCIUM ION, Collagenase 3, N-[(2S)-4-(5-fluoropyrimidin-2-yl)-1-({4-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]piperazin-1-yl}sulfonyl)butan-2-yl]-N-hydroxyformamide, ... | | 著者 | Gerhardt, S, Hargreaves, D. | | 登録日 | 2013-03-19 | | 公開日 | 2014-03-05 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Hydantoin based inhibitors of MMP13--discovery of AZD6605.
Bioorg.Med.Chem.Lett., 23, 2013
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4JPA
 | | Mmp13 in complex with a piperazine hydantoin ligand | | 分子名称: | 3-[({2-[4-({[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}sulfonyl)piperazin-1-yl]pyrimidin-5-yl}oxy)methyl]benzonitrile, CALCIUM ION, Collagenase 3, ... | | 著者 | Gerhardt, S, Hargreaves, D. | | 登録日 | 2013-03-19 | | 公開日 | 2014-03-05 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Hydantoin based inhibitors of MMP13--discovery of AZD6605.
Bioorg.Med.Chem.Lett., 23, 2013
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4AA5
 | | P38ALPHA MAP KINASE BOUND TO CMPD 33 | | 分子名称: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-CYCLOPROPYL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]BENZAMIDE | | 著者 | Gerhardt, S, Hargreaves, D. | | 登録日 | 2011-11-30 | | 公開日 | 2012-05-16 | | 最終更新日 | 2019-02-06 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
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4AA0
 | | P38ALPHA MAP KINASE BOUND TO CMPD 2 | | 分子名称: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide | | 著者 | Gerhardt, S, Hargreaves, D. | | 登録日 | 2011-11-30 | | 公開日 | 2012-05-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
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4A9Y
 | | P38ALPHA MAP KINASE BOUND TO CMPD 8 | | 分子名称: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE | | 著者 | Gerhardt, S, Hargreaves, D. | | 登録日 | 2011-11-29 | | 公開日 | 2012-05-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
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4AAC
 | | P38ALPHA MAP KINASE BOUND TO CMPD 29 | | 分子名称: | CHLORIDE ION, MITOGEN-ACTIVATED PROTEIN KINASE 14, N-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]benzamide | | 著者 | Gerhardt, S, Hargreaves, D. | | 登録日 | 2011-12-01 | | 公開日 | 2012-05-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
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4AA4
 | | P38ALPHA MAP KINASE BOUND TO CMPD 22 | | 分子名称: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]PHENYL]FURAN-3-CARBOXAMIDE | | 著者 | Gerhardt, S, Hargreaves, D. | | 登録日 | 2011-11-30 | | 公開日 | 2012-05-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
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