6L11
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![BU of 6l11 by Molmil](/molmil-images/mine/6l11) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | Deposit date: | 2019-09-27 | Release date: | 2020-05-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6L17
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![BU of 6l17 by Molmil](/molmil-images/mine/6l17) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | Deposit date: | 2019-09-27 | Release date: | 2020-09-02 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6L22
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![BU of 6l22 by Molmil](/molmil-images/mine/6l22) | Crystal structure of CK2a1 H115Y with hematein | Descriptor: | (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, Casein kinase II subunit alpha | Authors: | Tsuyuguchi, M, Kinoshita, T. | Deposit date: | 2019-10-02 | Release date: | 2020-02-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.12318087 Å) | Cite: | Structural insights for producing CK2 alpha 1-specific inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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6L13
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![BU of 6l13 by Molmil](/molmil-images/mine/6l13) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | Deposit date: | 2019-09-27 | Release date: | 2020-05-27 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6L14
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![BU of 6l14 by Molmil](/molmil-images/mine/6l14) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | Deposit date: | 2019-09-27 | Release date: | 2020-05-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6INL
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![BU of 6inl by Molmil](/molmil-images/mine/6inl) | Crystal structure of CDK2 IN complex with Inhibitor CVT-313 | Descriptor: | 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), Cyclin-dependent kinase 2 | Authors: | Talapati, S.R, Krishnamurthy, N.R. | Deposit date: | 2018-10-25 | Release date: | 2019-10-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of cyclin-dependent kinase 2 (CDK2) in complex with the specific and potent inhibitor CVT-313. Acta Crystallogr.,Sect.F, 76, 2020
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6I5I
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![BU of 6i5i by Molmil](/molmil-images/mine/6i5i) | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound 12h | Descriptor: | 1,2-ETHANEDIOL, 5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine, Dual specificity protein kinase CLK1 | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-11-13 | Release date: | 2019-01-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway. Angew. Chem. Int. Ed. Engl., 58, 2019
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6I5K
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![BU of 6i5k by Molmil](/molmil-images/mine/6i5k) | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN345 (derivative of compound 12h) | Descriptor: | 5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ... | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-11-13 | Release date: | 2019-01-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway. Angew. Chem. Int. Ed. Engl., 58, 2019
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6M9L
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![BU of 6m9l by Molmil](/molmil-images/mine/6m9l) | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10 | Descriptor: | 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14 | Authors: | Lane, W, Okada, K. | Deposit date: | 2018-08-23 | Release date: | 2019-04-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1. Chemmedchem, 14, 2019
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6JGM
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![BU of 6jgm by Molmil](/molmil-images/mine/6jgm) | |
6LNM
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![BU of 6lnm by Molmil](/molmil-images/mine/6lnm) | Crystal structure of CASK-CaMK in complex with Mint1-CID | Descriptor: | Amyloid-beta A4 precursor protein-binding family A member 1, Peripheral plasma membrane protein CASK | Authors: | Cai, Q, Zhang, M. | Deposit date: | 2019-12-31 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for the High-Affinity Interaction between CASK and Mint1. Structure, 28, 2020
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6KHD
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![BU of 6khd by Molmil](/molmil-images/mine/6khd) | Crystal structure of CLK1 in complex with CX-4945 | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Dual specificity protein kinase CLK1 | Authors: | Lee, J.Y, Yun, J.S, Jin, H, Chang, J.H. | Deposit date: | 2019-07-15 | Release date: | 2019-10-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis for the Selective Inhibition of Cdc2-Like Kinases by CX-4945. Biomed Res Int, 2019, 2019
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6JKM
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![BU of 6jkm by Molmil](/molmil-images/mine/6jkm) | Crystal structure of BubR1 kinase domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X. | Deposit date: | 2019-03-01 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules. Cell Res., 29, 2019
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6KHE
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![BU of 6khe by Molmil](/molmil-images/mine/6khe) | Crystal structure of CLK2 in complex with CX-4945 | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Dual specificity protein kinase CLK2 | Authors: | Lee, J.Y, Yun, J.S, Jin, H, Chang, J.H. | Deposit date: | 2019-07-15 | Release date: | 2019-10-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for the Selective Inhibition of Cdc2-Like Kinases by CX-4945. Biomed Res Int, 2019, 2019
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6KHF
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![BU of 6khf by Molmil](/molmil-images/mine/6khf) | Crystal structure of CLK3 in complex with CX-4945 | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Dual specificity protein kinase CLK3 | Authors: | Lee, J.Y, Yun, J.S, Jin, H, Chang, J.H. | Deposit date: | 2019-07-15 | Release date: | 2019-10-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Structural Basis for the Selective Inhibition of Cdc2-Like Kinases by CX-4945. Biomed Res Int, 2019, 2019
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6K0J
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![BU of 6k0j by Molmil](/molmil-images/mine/6k0j) | The co-crystal structure of DYRK2 with a small molecule inhibitor | Descriptor: | 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | Authors: | Tiantian, W, Xiao, J. | Deposit date: | 2019-05-06 | Release date: | 2019-11-20 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.352 Å) | Cite: | Inhibition of dual-specificity tyrosine phosphorylation-regulated kinase 2 perturbs 26S proteasome-addicted neoplastic progression. Proc.Natl.Acad.Sci.USA, 116, 2019
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6JUX
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![BU of 6jux by Molmil](/molmil-images/mine/6jux) | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-71807 | Descriptor: | 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine, Activin receptor type-1, SULFATE ION | Authors: | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | Deposit date: | 2019-04-15 | Release date: | 2020-04-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis of Activin Receptor-Like Kinase 2 (R206H) Inhibition by Bis-heteroaryl Pyrazole-Based Inhibitors for the Treatment of Fibrodysplasia Ossificans Progressiva Identified by the Integration of Ligand-Based and Structure-Based Drug Design Approaches. Acs Omega, 5, 2020
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6L23
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![BU of 6l23 by Molmil](/molmil-images/mine/6l23) | Crystal structure of CK2a1 V116I with hematein | Descriptor: | (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, 1,2-ETHANEDIOL, Casein kinase II subunit alpha | Authors: | Tsuyuguchi, M, Kinoshita, T. | Deposit date: | 2019-10-02 | Release date: | 2021-03-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.97449422 Å) | Cite: | Structural insights for producing CK2 alpha 1-specific inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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6M95
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![BU of 6m95 by Molmil](/molmil-images/mine/6m95) | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1 | Descriptor: | (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14 | Authors: | Lane, W, Okada, K. | Deposit date: | 2018-08-22 | Release date: | 2019-04-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1. Chemmedchem, 14, 2019
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6LN1
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![BU of 6ln1 by Molmil](/molmil-images/mine/6ln1) | A natural inhibitor of DYRK1A for treatment of diabetes mellitus | Descriptor: | 1,3,5,8-tetrakis(oxidanyl)xanthen-9-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Li, H, Chen, L.X, Zheng, M.Z, Zhang, Q.Z, Zhang, C.L, Wu, C.R, Yang, K.Y, Song, Z.R, Wang, Q.Q, Li, C, Zhou, Y.R, Chen, J.C. | Deposit date: | 2019-12-28 | Release date: | 2021-10-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.699 Å) | Cite: | A natural DYRK1A inhibitor as a potential stimulator for beta-cell proliferation in diabetes. Clin Transl Med, 11, 2021
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6MM5
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![BU of 6mm5 by Molmil](/molmil-images/mine/6mm5) | |
6MT0
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![BU of 6mt0 by Molmil](/molmil-images/mine/6mt0) | Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolodihydropyrrolone inhibitor | Descriptor: | 3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, Serine/threonine-protein kinase pim-1 | Authors: | Mohr, C. | Deposit date: | 2018-10-18 | Release date: | 2019-01-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of ( R)-8-(6-Methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4- b]pyrrol-2-yl)-3-(1-methylcyclopropyl)-2-((1-methylcyclopropyl)amino)quinazolin-4(3 H)-one, a Potent and Selective Pim-1/2 Kinase Inhibitor for Hematological Malignancies. J. Med. Chem., 62, 2019
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1HOW
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![BU of 1how by Molmil](/molmil-images/mine/1how) | THE X-RAY CRYSTAL STRUCTURE OF SKY1P, AN SR PROTEIN KINASE IN YEAST | Descriptor: | 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE YMR216C, SULFATE ION | Authors: | Nolen, B.J, Yun, C.Y, Wong, C.F, McCammon, J.A, Fu, X.-D, Ghosh, G. | Deposit date: | 2000-12-11 | Release date: | 2001-02-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure of Sky1p reveals a novel mechanism for constitutive activity. Nat.Struct.Biol., 8, 2001
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2KUL
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![BU of 2kul by Molmil](/molmil-images/mine/2kul) | |
1I09
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![BU of 1i09 by Molmil](/molmil-images/mine/1i09) | |