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2W1H
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Fragment-Based Discovery of the Pyrazol-4-yl urea (AT9283), a Multi- targeted Kinase Inhibitor with Potent Aurora Kinase Activity
Descriptor: CELL DIVISION PROTEIN KINASE 2, N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE
Authors:Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
Deposit date:2008-10-17
Release date:2009-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
3K0C
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BU of 3k0c by Molmil
Crystal structure of the phosphorylation-site double mutant S431A/T432E of the KaiC circadian clock protein
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION
Authors:Pattanayek, R, Egli, M, Pattanayek, S.
Deposit date:2009-09-24
Release date:2010-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of KaiC Circadian Clock Mutant Proteins: A New Phosphorylation Site at T426 and Mechanisms of Kinase, ATPase and Phosphatase.
Plos One, 4, 2009
3K0A
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BU of 3k0a by Molmil
Crystal structure of the phosphorylation-site mutant S431A of the KaiC circadian clock protein
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION
Authors:Pattanayek, R, Egli, M, Pattanayek, S.
Deposit date:2009-09-24
Release date:2010-03-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of KaiC Circadian Clock Mutant Proteins: A New Phosphorylation Site at T426 and Mechanisms of Kinase, ATPase and Phosphatase.
Plos One, 4, 2009
7PU5
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BU of 7pu5 by Molmil
Structure of SFPQ-NONO complex
Descriptor: MAGNESIUM ION, Non-POU domain-containing octamer-binding protein, Splicing factor, ...
Authors:Fribourg, S.
Deposit date:2021-09-28
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.999 Å)
Cite:Crystal structure of SFPQ-NONO heterodimer.
Biochimie, 198, 2022
3JZM
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BU of 3jzm by Molmil
Crystal structure of the phosphorylation-site mutant T432A of the KaiC circadian clock protein
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase kaiC, MAGNESIUM ION
Authors:Pattanayek, R, Egli, M, Pattanayek, S.
Deposit date:2009-09-23
Release date:2010-03-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of KaiC Circadian Clock Mutant Proteins: A New Phosphorylation Site at T426 and Mechanisms of Kinase, ATPase and Phosphatase.
Plos One, 4, 2009
2WIH
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BU of 2wih by Molmil
STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ...
Authors:Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M.
Deposit date:2009-05-13
Release date:2009-07-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52, 2009
6GZ1
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BU of 6gz1 by Molmil
Crystal Structure of the LeuO Effector Binding Domain
Descriptor: HTH-type transcriptional regulator LeuO, SULFATE ION
Authors:Fragel, S, Montada, A.M, Baumann, U, Schacherl, M, Schnetz, K.
Deposit date:2018-07-02
Release date:2019-06-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Characterization of the pleiotropic LysR-type transcription regulator LeuO of Escherichia coli.
Nucleic Acids Res., 47, 2019
2UZL
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BU of 2uzl by Molmil
Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor
Descriptor: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
Authors:Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
Deposit date:2007-04-30
Release date:2007-06-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
6AYD
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BU of 6ayd by Molmil
Pim1 complexed with N-(6-(4-hydroxyphenyl)-1H-indazol-3-yl)cyclopropanecarboxamide
Descriptor: N-[6-(4-hydroxyphenyl)-2H-indazol-3-yl]cyclopropanecarboxamide, Serine/threonine-protein kinase pim-1
Authors:Shewchuk, L.M, Henley, Z.A.
Deposit date:2017-09-08
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:From PIM1 to PI3K delta via GSK3 beta : Target Hopping through the Kinome.
ACS Med Chem Lett, 8, 2017
2YPT
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BU of 2ypt by Molmil
Crystal structure of the human nuclear membrane zinc metalloprotease ZMPSTE24 mutant (E336A) in complex with a synthetic CSIM tetrapeptide from the C-terminus of prelamin A
Descriptor: CAAX PRENYL PROTEASE 1 HOMOLOG, PRELAMIN-A/C, ZINC ION
Authors:Pike, A.C.W, Dong, Y.Y, Quigley, A, Dong, L, Savitsky, P, Cooper, C.D.O, Chaikuad, A, Goubin, S, Shrestha, L, Li, Q, Mukhopadhyay, S, Yang, J, Xia, X, Shintre, C.A, Barr, A.J, Berridge, G, Chalk, R, Bray, J.E, von Delft, F, Bullock, A, Bountra, C, Arrowsmith, C.H, Edwards, A, Burgess-Brown, N, Carpenter, E.P.
Deposit date:2012-11-01
Release date:2012-12-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:The Structural Basis of Zmpste24-Dependent Laminopathies.
Science, 339, 2013
2W05
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BU of 2w05 by Molmil
Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5b
Descriptor: CELL DIVISION PROTEIN KINASE 2, N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE
Authors:Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Breed, J, Byth, K.F, Culshaw, J.D, Finlay, M.R, Fisher, E, Green, C.P, Heaton, D.W, Nash, I.A, Newcombe, N.J, Oakes, S.E, Pauptit, R.A, Roberts, A, Stanway, J.J, Thomas, A.P, Tucker, J.A, Weir, H.M.
Deposit date:2008-08-08
Release date:2008-10-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Imidazoles: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
2VTH
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BU of 2vth by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
Descriptor: 5-hydroxynaphthalene-1-sulfonamide, CELL DIVISION PROTEIN KINASE 2, GLYCEROL
Authors:Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTP
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BU of 2vtp by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
Descriptor: CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
Authors:Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
3K0E
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BU of 3k0e by Molmil
Crystal structure of the phosphorylation-site mutant T426N of the KaiC circadian clock protein
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION
Authors:Pattanayek, R, Egli, M, Pattanayek, S.
Deposit date:2009-09-24
Release date:2010-03-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of KaiC Circadian Clock Mutant Proteins: A New Phosphorylation Site at T426 and Mechanisms of Kinase, ATPase and Phosphatase.
Plos One, 4, 2009
1VI0
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BU of 1vi0 by Molmil
Crystal structure of a transcriptional regulator
Descriptor: DODECYL-COA, transcriptional regulator
Authors:Structural GenomiX
Deposit date:2003-12-01
Release date:2003-12-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
6GZ2
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BU of 6gz2 by Molmil
Crystal Structure of the LeuO Effector Binding Domain
Descriptor: HTH-type transcriptional regulator LeuO, MALONATE ION
Authors:Fragel, S, Montada, A.M, Baumann, U, Schacherl, M, Schnetz, K.
Deposit date:2018-07-02
Release date:2019-06-05
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Characterization of the pleiotropic LysR-type transcription regulator LeuO of Escherichia coli.
Nucleic Acids Res., 47, 2019
2WMA
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BU of 2wma by Molmil
Structural and thermodynamic consequences of cyclization of peptide ligands for the recruitment site of cyclin A
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIC RKLFN-NH2, CYCLIN-A2
Authors:Robertson, G.F, Endicott, J.A, Noble, M.E.M, McDonnell, J.M.
Deposit date:2009-06-30
Release date:2010-09-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Thermodynamic Consequences of Cyclization of Peptide Ligands for the Recruitment Site of Cyclin A
To be Published
2WIP
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BU of 2wip by Molmil
STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID
Descriptor: 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, ...
Authors:Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M.
Deposit date:2009-05-14
Release date:2009-07-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52, 2009
2WMB
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BU of 2wmb by Molmil
Structural and thermodynamic consequences of cyclization of peptide ligands for the recruitment site of cyclin A
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, LINEAR RKLFD, ...
Authors:Robertson, G.F, Endicott, J.A, Noble, M.E.M, McDonnell, J.M.
Deposit date:2009-06-30
Release date:2010-09-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Thermodynamic Consequences of Cyclization of Peptide Ligands for the Recruitment Site of Cyclin A
To be Published
2WXV
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BU of 2wxv by Molmil
Structure of CDK2-CYCLIN A with a Pyrazolo(4,3-h) quinazoline-3- carboxamide inhibitor
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1-DIMETHYL-8-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ...
Authors:Traquandi, G, Ciomei, M, Ballinari, D, Casale, E, Colombo, N, Croci, V, Fiorentini, F, Isacchi, A, Longo, A, Mercurio, C, Panzeri, A, Pastori, W, Pevarello, P, Volpi, D, Roussel, P, Vulpetti, A, Brasca, M.G.
Deposit date:2009-11-10
Release date:2010-02-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of Potent Pyrazolo[4,3-H]Quinazoline-3-Carboxamides as Multi-Cyclin-Dependent Kinase Inhibitors.
J.Med.Chem., 53, 2010
2V0D
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BU of 2v0d by Molmil
Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor
Descriptor: 2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE, CELL DIVISION PROTEIN KINASE 2, CHLORIDE ION
Authors:Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
Deposit date:2007-05-14
Release date:2007-06-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
8EMC
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BU of 8emc by Molmil
CryoEM characterization of BrxL -- a unique AAA+ phage restriction Factor.
Descriptor: Protease Lon-related BREX system protein BrxL
Authors:Shen, B.W, Stoddard, B.L.
Deposit date:2022-09-27
Release date:2023-02-01
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure, substrate binding and activity of a unique AAA+ protein: the BrxL phage restriction factor.
Nucleic Acids Res., 51, 2023
2UZE
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BU of 2uze by Molmil
Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor
Descriptor: 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2
Authors:Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
Deposit date:2007-04-27
Release date:2007-06-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
2VTM
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BU of 2vtm by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
Descriptor: CELL DIVISION PROTEIN KINASE 2, PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
Authors:Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VU3
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BU of 2vu3 by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
Descriptor: 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2
Authors:Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
Deposit date:2008-05-20
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008

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