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7FHS	Crystal structure of DYRK1A in complex with RD0392 Descriptor: (5~{Z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, GLYCEROL Authors: Kikuchi, M, Sumida, T, Hosoya, T, Kii, I, Umehara, T. Deposit date: 2021-07-30 Release date: 2022-03-23 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.42 Å) Cite: Structure-activity relationship for the folding intermediate-selective inhibition of DYRK1A. Eur.J.Med.Chem., 227, 2022
7FIC	Reversible lysine-targeted probes reveal residence time-based kinase selectivity in vivo Descriptor: 6-[(5-cyclopropyl-1~{H}-pyrazol-3-yl)amino]-2-[4-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-~{N}-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A, CHLORIDE ION Authors: Craven, G.B, Wan, X.B, Taunton, J. Deposit date: 2021-07-31 Release date: 2022-06-08 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.32 Å) Cite: Reversible lysine-targeted probes reveal residence time-based kinase selectivity. Nat.Chem.Biol., 18, 2022
7F2X	Crystal structure of MEK1 C121S mutant Descriptor: MEK1 F11, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER Authors: Fujioka, Y, Noda, N.N. Deposit date: 2021-06-15 Release date: 2022-06-22 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.007 Å) Cite: Qualitative differences in disease-associated MEK mutants reveal molecular signatures and aberrant signaling-crosstalk in cancer. Nat Commun, 13, 2022
7JNT	CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A POTENT AND SELECTIVE DUAL ROCK INHIBITOR Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide, ... Authors: Muckelbauer, J.K. Deposit date: 2020-08-05 Release date: 2020-09-02 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.214 Å) Cite: Identification of 5H-chromeno[3,4-c]pyridine and 6H-isochromeno[3,4-c]pyridine derivatives as potent and selective dual ROCK inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
7JOU	CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK1) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR Descriptor: N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide, Rho-associated protein kinase 1 Authors: Muckelbauer, J.K. Deposit date: 2020-08-07 Release date: 2020-09-02 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (3.318 Å) Cite: Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies. Bioorg.Med.Chem.Lett., 30, 2020
4FTC	Crystal Structure of the CHK1 Descriptor: 1-(5-cyanopyrazin-2-yl)-3-(5-phenyl-1H-pyrazol-3-yl)urea, GLYCEROL, ISOPROPYL ALCOHOL, ... Authors: Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J. Deposit date: 2012-06-27 Release date: 2012-08-22 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structure of the CHK1 To be Published
4FTN	Crystal Structure of the CHK1 Descriptor: 4'-{6-methoxy-7-[2-(piperidin-1-yl)ethoxy]-1,2-dihydroindeno[1,2-c]pyrazol-3-yl}biphenyl-4-ol, GLYCEROL, ISOPROPYL ALCOHOL, ... Authors: Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J. Deposit date: 2012-06-27 Release date: 2012-08-22 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.02 Å) Cite: Crystal Structure of the CHK1 To be Published
4FSW	Crystal Structure of the CHK1 Descriptor: 8-chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, ISOPROPYL ALCOHOL, SULFATE ION, ... Authors: Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J. Deposit date: 2012-06-27 Release date: 2012-08-22 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal Structure of the CHK1 To be Published
4FTL	Crystal Structure of the CHK1 Descriptor: 4'-[7-(hydroxymethyl)-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]biphenyl-4-ol, ISOPROPYL ALCOHOL, SULFATE ION, ... Authors: Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J. Deposit date: 2012-06-27 Release date: 2012-08-22 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal Structure of the CHK1 To be Published
4FTU	Crystal Structure of the CHK1 Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, SULFATE ION, ... Authors: Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J. Deposit date: 2012-06-28 Release date: 2012-08-22 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal Structure of the CHK1 To be Published
4FV6	Crystal Structure of the ERK2 complexed with E57 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-06-29 Release date: 2012-08-29 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal Structure of the ERK2 complexed with E57 TO BE PUBLISHED
4G3D	Crystal structure of human NF-kappaB inducing kinase (NIK) Descriptor: MAGNESIUM ION, NF-kappa-beta-inducing kinase Authors: Hymowitz, S.G, de Leon-Boenig, G. Deposit date: 2012-07-13 Release date: 2012-08-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.9 Å) Cite: The crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site. Structure, 20, 2012
4FTI	Crystal Structure of the CHK1 Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, SULFATE ION, ... Authors: Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J. Deposit date: 2012-06-27 Release date: 2012-08-22 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal Structure of the CHK1 To be Published
4FTR	Crystal Structure of the CHK1 Descriptor: 2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]-N,N-dimethylacetamide, GLYCEROL, ISOPROPYL ALCOHOL, ... Authors: Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J. Deposit date: 2012-06-27 Release date: 2012-08-22 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Crystal Structure of the CHK1 To be Published
4FUX	Crystal Structure of the ERK2 complexed with E75 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-06-28 Release date: 2012-08-22 Last modified: 2014-09-24 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal Structure of the ERK2 complexed with E75 TO BE PUBLISHED
4G6O	Crystal Structure of the ERK2 Descriptor: 1,2-ETHANEDIOL, 4-{4-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-07-19 Release date: 2012-09-19 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal Structure of the ERK2 complexed with E28 to be published
4GEO	P38a MAP kinase DEF-pocket penta mutant (M194A, L195A, H228A, I229A, Y258A) Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside Authors: Livnah, O, Tzarum, N. Deposit date: 2012-08-02 Release date: 2013-05-22 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.66 Å) Cite: P38a MAP kinase DEF-pocket penta mutant (M194A, L195A, H228A, I229A, Y258A) To be Published
4FSR	Crystal Structure of the CHK1 Descriptor: 6,7-dimethoxy-3-[4-(1H-tetrazol-5-yl)phenyl]-1,4-dihydroindeno[1,2-c]pyrazole, SULFATE ION, Serine/threonine-protein kinase Chk1 Authors: Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J. Deposit date: 2012-06-27 Release date: 2012-08-22 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal Structure of the CHK1 To be Published
4FV7	Crystal Structure of the ERK2 complexed with E94 Descriptor: 1,2-ETHANEDIOL, 4-(3-chlorophenyl)-5-{2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}-2-{[2-(piperidin-1-yl)ethyl]amino}thiophene-3-carbonitrile, GLYCEROL, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-06-29 Release date: 2012-08-29 Last modified: 2014-09-24 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal Structure of the ERK2 complexed with E94 TO BE PUBLISHED
4G6N	Crystal Structure of the ERK2 Descriptor: 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-07-19 Release date: 2012-09-19 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structure of the ERK2 complexed with EK0 to be published
4FSU	Crystal Structure of the CHK1 Descriptor: 4-[6-(1H-imidazol-1-ylmethyl)-7-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzonitrile, GLYCEROL, ISOPROPYL ALCOHOL, ... Authors: Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J. Deposit date: 2012-06-27 Release date: 2012-08-22 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal Structure of the CHK1 To be Published
4FT5	Crystal Structure of the CHK1 Descriptor: 1-{5-chloro-2-[(3R)-pyrrolidin-3-yloxy]phenyl}-3-(5-cyanopyrazin-2-yl)urea, GLYCEROL, SULFATE ION, ... Authors: Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J. Deposit date: 2012-06-27 Release date: 2012-08-22 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal Structure of the CHK1 To be Published
4FTO	Crystal Structure of the CHK1 Descriptor: 4-{7-methoxy-6-[3-(morpholin-4-yl)propoxy]-1,4-dihydroindeno[1,2-c]pyrazol-3-yl}benzonitrile, GLYCEROL, ISOPROPYL ALCOHOL, ... Authors: Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J. Deposit date: 2012-06-27 Release date: 2012-08-22 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal Structure of the CHK1 To be Published
4FUY	Crystal Structure of the ERK2 complexed with EK2 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-06-28 Release date: 2012-08-22 Last modified: 2014-09-24 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structure of the ERK2 complexed with EK2 TO BE PUBLISHED
4FV9	Crystal Structure of the ERK2 complexed with E71 Descriptor: 1,2-ETHANEDIOL, 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5-(pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine, Mitogen-activated protein kinase 1, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-06-29 Release date: 2012-08-29 Last modified: 2014-09-24 Method: X-RAY DIFFRACTION (2.11 Å) Cite: Crystal Structure of the ERK2 complexed with E71 TO BE PUBLISHED

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