4NAL
 
 | | Arabidopsis thaliana IspD in complex with tribromodichloro-pseudilin | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,4-DICHLORO-6-(3,4,5-TRIBROMO-1H-PYRROL-2-YL)PHENOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, ... | | 著者 | Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. | | 登録日 | 2013-10-22 | | 公開日 | 2014-01-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD.
Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4NAK
 | | Arabidopsis thaliana IspD in complex with pentabromo-pseudilin | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | | 著者 | Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. | | 登録日 | 2013-10-22 | | 公開日 | 2014-01-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD.
Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
830C
 | | COLLAGENASE-3 (MMP-13) COMPLEXED TO A SULPHONE-BASED HYDROXAMIC ACID | | 分子名称: | 4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE, CALCIUM ION, MMP-13, ... | | 著者 | Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F. | | 登録日 | 1998-08-06 | | 公開日 | 1999-08-06 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors.
Nat.Struct.Biol., 6, 1999
|
|
7OY6
 | | Crystal structure of human DYRK1A in complex with ARN25068 | | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine | | 著者 | Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Ortega, J, Girotto, S, Cavalli, A. | | 登録日 | 2021-06-23 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.
Eur.J.Med.Chem., 229, 2022
|
|
7OY5
 | | Crystal structure of GSK3Beta in complex with ARN25068 | | 分子名称: | CHLORIDE ION, Glycogen synthase kinase-3 beta, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine | | 著者 | Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Giabbai, B, Storici, P, Ortega, J, Girotto, S, Cavalli, A. | | 登録日 | 2021-06-23 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.
Eur.J.Med.Chem., 229, 2022
|
|
2X4Z
 | | Crystal Structure of the Human p21-Activated Kinase 4 in Complex with PF-03758309 | | 分子名称: | GLYCEROL, PF-3758309, SERINE/THREONINE-PROTEIN KINASE PAK 4 | | 著者 | Knighton, D.R, Deng, Y, Murray, B, Guo, C, Piraino, J, Westwick, J, Zhang, C, Lamerdin, J, Dagostino, E, Loi, C.-M, Zager, M, Kraynov, E, Christensen, J, Martinez, R, Kephart, S, Marakovits, J, Karlicek, S, Bergqvist, S, Smeal, T. | | 登録日 | 2010-02-03 | | 公開日 | 2010-05-19 | | 最終更新日 | 2019-01-23 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Small-Molecule P21-Activated Kinase Inhibitor Pf- 3758309 is a Potent Inhibitor of Oncogenic Signaling and Tumor Growth.
Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
3GB8
 | | Crystal structure of CRM1/Snurportin-1 complex | | 分子名称: | Exportin-1, Snurportin-1 | | 著者 | Dong, X, Biswas, A, Suel, K.E, Jackson, L.K, Martinez, R, Gu, H, Chook, Y.M. | | 登録日 | 2009-02-19 | | 公開日 | 2009-03-31 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural basis for leucine-rich nuclear export signal recognition by CRM1.
Nature, 458, 2009
|
|
6HK4
 | | Crystal structure of GSK-3B in complex with pyrazine inhibitor C22 | | 分子名称: | 3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{N}-pyridin-3-yl-pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLY-SER-HIS-GLY-HIS-HIS-HIS-HIS-HIS, ... | | 著者 | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | | 登録日 | 2018-09-05 | | 公開日 | 2019-07-17 | | 最終更新日 | 2019-08-21 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
|
|
6HK3
 | | Crystal structure of GSK-3B in complex with pyrazine inhibitor C44 | | 分子名称: | 3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | | 登録日 | 2018-09-05 | | 公開日 | 2019-07-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
|
|
6HK7
 | | Crystal structure of GSK-3B in complex with pyrazine inhibitor C50 | | 分子名称: | 3-azanyl-~{N}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | | 登録日 | 2018-09-05 | | 公開日 | 2019-07-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
|
|
