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4G3D
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BU of 4g3d by Molmil
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
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BU of 4fti by Molmil
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
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BU of 4ftr by Molmil
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
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BU of 4fux by Molmil
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
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BU of 4g6o by Molmil
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
3LE6
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BU of 3le6 by Molmil
The structure of cyclin dependent kinase 2 (CKD2) with a pyrazolobenzodiazepine inhibitor
Descriptor: 5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine, Cell division protein kinase 2
Authors:Lukacs, C.M, Swain, A, Crowther, R.L, Kammlott, R.U, Liu, J.J.
Deposit date:2010-01-14
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pyrazolobenzodiazepines: part I. Synthesis and SAR of a potent class of kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
4GEO
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BU of 4geo by Molmil
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
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BU of 4fsr by Molmil
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
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BU of 4fv7 by Molmil
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
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BU of 4g6n by Molmil
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
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BU of 4fsu by Molmil
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
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BU of 4ft5 by Molmil
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
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BU of 4fto by Molmil
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
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BU of 4fuy by Molmil
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
4FV1
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BU of 4fv1 by Molmil
Crystal Structure of the ERK2 complexed with EK4
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 1, ...
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 (1.99 Å)
Cite:Crystal Structure of the ERK2 complexed with EK4
TO BE PUBLISHED
4FV9
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BU of 4fv9 by Molmil
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
4FSY
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BU of 4fsy by Molmil
Crystal Structure of the CHK1
Descriptor: 2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzamide, 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
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the CHK1
To be Published
3NNU
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BU of 3nnu by Molmil
Crystal structure of P38 alpha in complex with DP1376
Descriptor: 2-{3-[(5E)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide, Mitogen-activated protein kinase 14
Authors:Abendroth, J.
Deposit date:2010-06-24
Release date:2010-09-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
3O50
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BU of 3o50 by Molmil
Crystal structure of benzamide 9 bound to AuroraA
Descriptor: N-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6
Authors:Huang, X.
Deposit date:2010-07-27
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor.
J.Med.Chem., 53, 2010
3NNW
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BU of 3nnw by Molmil
Crystal structure of P38 alpha in complex with DP802
Descriptor: 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14
Authors:Abendroth, J.
Deposit date:2010-06-24
Release date:2010-09-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
3NNX
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BU of 3nnx by Molmil
Crystal structure of phosphorylated P38 alpha in complex with DP802
Descriptor: 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14
Authors:Abendroth, J.
Deposit date:2010-06-24
Release date:2010-09-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
3O71
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BU of 3o71 by Molmil
Crystal structure of ERK2/DCC peptide complex
Descriptor: Mitogen-activated protein kinase 1, Peptide of Deleted in Colorectal Cancer, THIOCYANATE ION
Authors:Ma, W.F, Shang, Y, Wei, Z.Y, Wen, W.Y, Wang, W.N, Zhang, M.J.
Deposit date:2010-07-30
Release date:2011-06-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Phosphorylation of DCC by ERK2 is facilitated by direct docking of the receptor P1 domain to the kinase
Structure, 18, 2010
4HNF
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BU of 4hnf by Molmil
Crystal structure of ck1d in complex with pf4800567
Descriptor: 3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Casein kinase I isoform delta
Authors:Huang, X, Long, A.M, Zhao, H.
Deposit date:2012-10-19
Release date:2012-11-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural basis for the potent and selective inhibition of casein kinase 1 epsilon.
J.Med.Chem., 55, 2012
4HOK
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BU of 4hok by Molmil
crystal structure of apo ck1e
Descriptor: Casein kinase I isoform epsilon, SULFATE ION
Authors:Huang, X, Long, A.M, Zhao, H.
Deposit date:2012-10-22
Release date:2012-11-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structural basis for the potent and selective inhibition of casein kinase 1 epsilon.
J.Med.Chem., 55, 2012
4HPT
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BU of 4hpt by Molmil
Crystal structure of the catalytic subunit of cAMP-dependent protein kinase displaying complete phosphoryl transfer of AMP-PNP onto a substrate peptide
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Bastidas, A.C, Steichen, J.M, Wu, J, Taylor, S.S.
Deposit date:2012-10-24
Release date:2013-03-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Phosphoryl transfer by protein kinase a is captured in a crystal lattice.
J.Am.Chem.Soc., 135, 2013

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