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7PC6
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BU of 7pc6 by Molmil
DNA-binding domain of a p53 homolog from the hydrothermal vent annelid Alvinella pompejana
Descriptor: 1,2-ETHANEDIOL, DNA-binding domain, ZINC ION
Authors:Balourdas, D.-I, Knapp, S, Soussi, T, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2021-08-03
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Evolutionary history of the p53 family DNA-binding domain: insights from an Alvinella pompejana homolog.
Cell Death Dis, 13, 2022
8V42
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BU of 8v42 by Molmil
Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to ACH000400
Descriptor: (7S)-2-(3,5-difluoro-4-hydroxyanilino)-7-methyl-5-[(1,2-oxazol-5-yl)methyl]-8-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Counago, R.M, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Arruda, P.
Deposit date:2023-11-28
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel Dihydropteridinone Derivatives As Potent Inhibitors of the Understudied Human Kinases Vaccinia-Related Kinase 1 and Casein Kinase 1 delta / epsilon.
J.Med.Chem., 67, 2024
8BIO
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BU of 8bio by Molmil
Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MRAL5
Descriptor: 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2
Authors:Zhubi, R, Rak, M, Lucic, A, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
Deposit date:2022-11-02
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily.
Eur.J.Med.Chem., 254, 2023
8BIN
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BU of 8bin by Molmil
Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MR21
Descriptor: 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2
Authors:Zhubi, R, Rak, M, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
Deposit date:2022-11-02
Release date:2022-11-23
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Back-Pocket Optimization of 2-Aminopyrimidine-Based Macrocycles Leads to Potent EPHA2/GAK Kinase Inhibitors.
J.Med.Chem., 67, 2024
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數據於2024-09-04公開中

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