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5A4C
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BU of 5a4c by Molmil
FGFR1 ligand complex
Descriptor: 1,2-ETHANEDIOL, 1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ...
Authors:Klein, T, Vajpai, N, Phillips, J.J, Davies, G, Holdgate, G.A, Phillips, C, Tucker, J.A, Norman, R.A, Scott, A.S, Higazi, D.R, Lowe, D, Thompson, G.S, Breeze, A.L.
Deposit date:2015-06-05
Release date:2015-08-05
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase.
Nat.Commun., 6, 2015
5A46
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BU of 5a46 by Molmil
FGFR1 in complex with dovitinib
Descriptor: 1,2-ETHANEDIOL, 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ...
Authors:Klein, T, Vajpai, N, Phillips, J.J, Davies, G, Holdgate, G.A, Phillips, C, Tucker, J.A, Norman, R.A, Scott, A.S, Higazi, D.R, Lowe, D, Thompson, G.S, Breeze, A.L.
Deposit date:2015-06-05
Release date:2015-08-05
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase.
Nat.Commun., 6, 2015
1AJ6
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BU of 1aj6 by Molmil
NOVOBIOCIN-RESISTANT MUTANT (R136H) OF THE N-TERMINAL 24 KDA FRAGMENT OF DNA GYRASE B COMPLEXED WITH NOVOBIOCIN AT 2.3 ANGSTROMS RESOLUTION
Descriptor: GYRASE, NOVOBIOCIN
Authors:Weston, S.A, Tunnicliffe, A, Pauptit, R.A.
Deposit date:1997-05-15
Release date:1998-05-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The entropic penalty of ordered water accounts for weaker binding of the antibiotic novobiocin to a resistant mutant of DNA gyrase: a thermodynamic and crystallographic study.
Biochemistry, 36, 1997
4UWB
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BU of 4uwb by Molmil
Fibroblast growth factor receptor 1 kinase in complex with JK-P5
Descriptor: 1,2-ETHANEDIOL, FIBROBLAST GROWTH FACTOR RECEPTOR 1, N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide, ...
Authors:Beeston, H, Tucker, J, Kankanala, J.
Deposit date:2014-08-11
Release date:2015-09-02
Last modified:2021-06-16
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Validation of IMS-MS as a screening tool to identify type II kinase inhibitors of FGFR1 kinase.
Rapid Commun Mass Spectrom, 2021
4UWC
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BU of 4uwc by Molmil
Fibroblast growth factor receptor 1 kinase in complex with JK-P3
Descriptor: 1,2-ETHANEDIOL, 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide, FIBROBLAST GROWTH FACTOR RECEPTOR 1, ...
Authors:Beeston, H, Tucker, J, Kankanala, J.
Deposit date:2014-08-11
Release date:2015-09-02
Last modified:2021-06-16
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Validation of IMS-MS as a screening tool to identify type II kinase inhibitors of FGFR1 kinase.
Rapid Commun Mass Spectrom, 2021
5H8B
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BU of 5h8b by Molmil
Crystal structure of CK2 with compound 2
Descriptor: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
Authors:Ferguson, A.D.
Deposit date:2015-12-23
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo.
Acs Med.Chem.Lett., 7, 2016
5H8G
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BU of 5h8g by Molmil
Crystal structure of CK2 with compound 7b
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha, ...
Authors:Ferguson, A.D.
Deposit date:2015-12-23
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo.
Acs Med.Chem.Lett., 7, 2016
5H8E
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BU of 5h8e by Molmil
Crystal structure of CK2 with compound 7h
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha, ...
Authors:Ferguson, A.D.
Deposit date:2015-12-23
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo.
Acs Med.Chem.Lett., 7, 2016
1QG6
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BU of 1qg6 by Molmil
CRYSTAL STRUCTURE OF E. COLI ENOYL ACYL CARRIER PROTEIN REDUCTASE IN COMPLEX WITH NAD AND TRICLOSAN
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (ENOYL-[ACYL-CARRIER PROTEIN] REDUCTASE), TRICLOSAN
Authors:Rowsell, S, Pauptit, R.A.
Deposit date:1999-04-20
Release date:1999-09-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Kinetic and structural characteristics of the inhibition of enoyl (acyl carrier protein) reductase by triclosan.
Biochemistry, 38, 1999
4NK9
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BU of 4nk9 by Molmil
Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex with pyrazolaminopyrimidine 1
Descriptor: 1,2-ETHANEDIOL, FIBROBLAST GROWTH FACTOR RECEPTOR 1, N~4~-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine, ...
Authors:Norman, R.A, Klein, T.
Deposit date:2013-11-12
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:FGFR1 Kinase Inhibitors: Close Regioisomers Adopt Divergent Binding Modes and Display Distinct Biophysical Signatures.
ACS Med Chem Lett, 5, 2014
4NKS
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BU of 4nks by Molmil
Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex with pyrazolaminopyrimidine 3
Descriptor: Fibroblast growth factor receptor 1, N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[5-(2-phenylethyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
Authors:Norman, R.A, Klein, T.
Deposit date:2013-11-13
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:FGFR1 Kinase Inhibitors: Close Regioisomers Adopt Divergent Binding Modes and Display Distinct Biophysical Signatures.
ACS Med Chem Lett, 5, 2014
4NKA
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BU of 4nka by Molmil
Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex with pyrazolaminopyrimidine 2
Descriptor: 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N~4~-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine, ...
Authors:Norman, R.A, Klein, T.
Deposit date:2013-11-12
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:FGFR1 Kinase Inhibitors: Close Regioisomers Adopt Divergent Binding Modes and Display Distinct Biophysical Signatures.
ACS Med Chem Lett, 5, 2014
2BAL
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BU of 2bal by Molmil
p38alpha MAP kinase bound to pyrazoloamine
Descriptor: Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE
Authors:Gerhardt, S, Pauptit, R.A, Read, J, Tucker, J, Norman, R.A, Breed, J.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
2BAK
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BU of 2bak by Molmil
p38alpha MAP kinase bound to MPAQ
Descriptor: Mitogen-activated protein kinase 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE
Authors:Gerhardt, S, Breed, J, Pauptit, R.A, Read, J, Norman, R.A, Ward, W.H.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
2BAJ
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BU of 2baj by Molmil
p38alpha bound to pyrazolourea
Descriptor: 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea, Mitogen-activated protein kinase 14
Authors:Gerhardt, S, Pauptit, R.A, Read, J, Breed, J, Norman, R.A, Ward, W.H.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
2BAQ
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BU of 2baq by Molmil
p38alpha bound to Ro3201195
Descriptor: Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
Authors:Gerhardt, S, Pauptit, R.A, Breed, J, Read, J, Tucker, J, Norman, R.A.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005

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