6CBG
 
 | | Macrophage Migration Inhibitory Factor in Complex with a Pyrazole Inhibitor (5) | | 分子名称: | 3-(1H-pyrazol-4-yl)benzoic acid, GLYCEROL, Macrophage migration inhibitory factor, ... | | 著者 | Robertson, M.J, Krimmer, S.G, Jorgensen, W.L. | | 登録日 | 2018-02-02 | | 公開日 | 2018-04-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of Macrophage Migration Inhibitory Factor.
ChemMedChem, 13, 2018
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6CBH
 | | Macrophage Migration Inhibitory Factor in Complex with a Pyrazole Inhibitor (8m) | | 分子名称: | 5-(3-fluoro-1H-pyrazol-4-yl)-2-[(naphthalen-2-yl)oxy]benzoic acid, GLYCEROL, ISOPROPYL ALCOHOL, ... | | 著者 | Robertson, M.J, Krimmer, S.G, Jorgensen, W.L. | | 登録日 | 2018-02-02 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of Macrophage Migration Inhibitory Factor.
ChemMedChem, 13, 2018
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8DFP
 | | Ectodomain of full-length KIT(DupA502,Y503)-SCF dimers | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Mast/stem cell growth factor receptor Kit, ... | | 著者 | Bertoletti, N, Krimmer, S.G, Mi, W, Schlessinger, J. | | 登録日 | 2022-06-22 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-04-05 | | 実験手法 | ELECTRON MICROSCOPY (3.17 Å) | | 主引用文献 | Cryo-EM analyses of KIT and oncogenic mutants reveal structural oncogenic plasticity and a target for therapeutic intervention.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7JYO
 | | JAK2 JH2 in complex with JAK064 | | 分子名称: | 3-({4-amino-6-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}oxy)benzoic acid, GLYCEROL, Tyrosine-protein kinase JAK2 | | 著者 | Puleo, D.E, Krimmer, S.G, Newton, A.S, Schlessinger, J, Jorgensen, W.L. | | 登録日 | 2020-08-31 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.16127229 Å) | | 主引用文献 | Indoloxytriazines as binding molecules for the JAK2 JH2 pseudokinase domain and its V617F variant
Tetrahedron Lett., 77, 2021
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7JYQ
 | | JAK2 JH2 in complex with JAK020 | | 分子名称: | GLYCEROL, N~2~-(4-fluorophenyl)-6-{[(5-{[(oxolan-2-yl)methyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine, Tyrosine-protein kinase JAK2 | | 著者 | Puleo, D.E, Krimmer, S.G, Newton, A.S, Schlessinger, J, Jorgensen, W.L. | | 登録日 | 2020-08-31 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85941613 Å) | | 主引用文献 | Indoloxytriazines as binding molecules for the JAK2 JH2 pseudokinase domain and its V617F variant
Tetrahedron Lett., 77, 2021
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5MNR
 | | Thermolysin in complex with inhibitor JC256 | | 分子名称: | (2~{S})-4-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | | 著者 | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | | 登録日 | 2016-12-13 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.249 Å) | | 主引用文献 | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.
J. Med. Chem., 60, 2017
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5N3Y
 | | Thermolysin in complex with inhibitor JC267 | | 分子名称: | (2~{S})-3-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | | 著者 | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | | 登録日 | 2017-02-09 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.339 Å) | | 主引用文献 | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.
J. Med. Chem., 60, 2017
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5N2X
 | | Thermolysin in complex with inhibitor JC272 | | 分子名称: | (2~{S})-5-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | | 著者 | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | | 登録日 | 2017-02-08 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.209 Å) | | 主引用文献 | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.
J. Med. Chem., 60, 2017
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5N2T
 | | Thermolysin in complex with inhibitor JC287 | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, Thermolysin, ... | | 著者 | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | | 登録日 | 2017-02-08 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.379 Å) | | 主引用文献 | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.
J. Med. Chem., 60, 2017
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5N34
 | | Thermolysin in complex with inhibitor JC276 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | 著者 | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | | 登録日 | 2017-02-08 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.
J. Med. Chem., 60, 2017
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5N31
 | | Thermolysin in complex with inhibitor JC277 | | 分子名称: | (2~{S})-6-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | | 著者 | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | | 登録日 | 2017-02-08 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.368 Å) | | 主引用文献 | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.
J. Med. Chem., 60, 2017
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5N2Z
 | | Thermolysin in complex with inhibitor JC286 | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, Thermolysin, ... | | 著者 | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | | 登録日 | 2017-02-08 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.
J. Med. Chem., 60, 2017
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5N3V
 | | Thermolysin in complex with inhibitor JC292 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | 著者 | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | | 登録日 | 2017-02-09 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.
J. Med. Chem., 60, 2017
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