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2YM4
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BU of 2ym4 by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1, ethyl 4-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Authors:Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I.
Deposit date:2011-06-06
Release date:2012-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM8
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BU of 2ym8 by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: (R)-5-(8-CHLOROISOQUINOLIN-3-YLAMINO)-3-(1-(DIMETHYLAMINO)PROPAN-2-YLOXY)PYRAZINE-2-CARBONITRILE, 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I.
Deposit date:2011-06-06
Release date:2012-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM6
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BU of 2ym6 by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 1,2-ETHANEDIOL, 1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I.
Deposit date:2011-06-06
Release date:2012-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM5
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BU of 2ym5 by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: (3-{4-[(2S)-2-(AMINOMETHYL)MORPHOLIN-4-YL]-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}PHENYL)METHANOL, 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I.
Deposit date:2011-06-06
Release date:2012-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM3
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BU of 2ym3 by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 1,2-ETHANEDIOL, ETHYL 4-(2-(AMINOMETHYL)MORPHOLINO)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I.
Deposit date:2011-06-06
Release date:2012-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.007 Å)
Cite:Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2YM7
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BU of 2ym7 by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 1,2-ETHANEDIOL, 5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I.
Deposit date:2011-06-06
Release date:2012-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
2XF0
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BU of 2xf0 by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 1,2-ETHANEDIOL, 3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I.
Deposit date:2010-05-19
Release date:2010-06-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
2XEZ
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BU of 2xez by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 1,2-ETHANEDIOL, 6-(1H-PYRAZOL-3-YL)-3-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, vanMontfort, R, Garrett, M.D, Reader, J.C, Collins, I.
Deposit date:2010-05-19
Release date:2010-07-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
2XEY
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BU of 2xey by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I.
Deposit date:2010-05-19
Release date:2010-06-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
2WMR
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BU of 2wmr by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMW
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BU of 2wmw by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMU
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BU of 2wmu by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 6-MORPHOLIN-4-YL-9H-PURINE, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMS
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BU of 2wms by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: SERINE/THREONINE-PROTEIN KINASE CHK1, [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone
Authors:Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMT
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BU of 2wmt by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMV
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BU of 2wmv by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 1-[(2S)-4-(7H-PURIN-6-YL)MORPHOLIN-2-YL]METHANAMINE, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMX
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BU of 2wmx by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: 1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WMQ
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BU of 2wmq by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
Descriptor: N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
Deposit date:2009-07-03
Release date:2009-07-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
3HMN
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BU of 3hmn by Molmil
Crystal structure of human Mps1 catalytic domain in complex with ATP
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity protein kinase TTK
Authors:Chu, M.L.H, Chavas, L.M.G, Williams, D.H, Tabernero, L, Eyers, P.A.
Deposit date:2009-05-29
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Biophysical and X-ray crystallographic analysis of Mps1 kinase inhibitor complexes.
Biochemistry, 49, 2010
3HMO
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BU of 3hmo by Molmil
Crystal structure of human Mps1 catalytic domain in complex with the inhibitor staurosporine
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK, GLYCEROL, ...
Authors:Chu, M.L.H, Chavas, L.M.G, Williams, D.H, Tabernero, L, Eyers, P.A.
Deposit date:2009-05-29
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Biophysical and X-ray crystallographic analysis of Mps1 kinase inhibitor complexes.
Biochemistry, 49, 2010
3HMP
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BU of 3hmp by Molmil
Crystal structure of human Mps1 catalytic domain in complex with a quinazolin ligand Compound 4
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 7-chloro-N-(cyclopropylmethyl)quinazolin-4-amine, DI(HYDROXYETHYL)ETHER, ...
Authors:Chu, M.L.H, Chavas, L.M.G, Williams, D.H, Tabernero, L, Eyers, P.A.
Deposit date:2009-05-29
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Biophysical and X-ray crystallographic analysis of Mps1 kinase inhibitor complexes.
Biochemistry, 49, 2010

217705

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