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1R9T
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BU of 1r9t by Molmil
RNA POLYMERASE II STRAND SEPARATED ELONGATION COMPLEX, MISMATCHED NUCLEOTIDE
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA nontemplate strand, DNA template strand, ...
Authors:Westover, K.D, Bushnell, D.A, Kornberg, R.D.
Deposit date:2003-10-30
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center.
Cell(Cambridge,Mass.), 119, 2004
1R9S
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BU of 1r9s by Molmil
RNA POLYMERASE II STRAND SEPARATED ELONGATION COMPLEX, MATCHED NUCLEOTIDE
Descriptor: DNA strand, DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 14.2 kDa polypeptide, ...
Authors:Westover, K.D, Bushnell, D.A, Kornberg, R.D.
Deposit date:2003-10-30
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (4.25 Å)
Cite:Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center.
Cell(Cambridge,Mass.), 119, 2004
1SFO
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BU of 1sfo by Molmil
RNA POLYMERASE II STRAND SEPARATED ELONGATION COMPLEX
Descriptor: DNA STRAND, DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 14.2 kDa polypeptide, ...
Authors:Westover, K.D, Bushnell, D.A, Kornberg, R.D.
Deposit date:2004-02-20
Release date:2004-03-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.61 Å)
Cite:Structural Basis of Transcription: Separation of RNA from DNA by RNA Polymerase II
Science, 303, 2004
1TWG
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BU of 1twg by Molmil
RNA polymerase II complexed with CTP
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 14.2 kDa polypeptide, ...
Authors:Westover, K.D, Bushnell, D.A, Kornberg, R.D.
Deposit date:2004-06-30
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center.
Cell(Cambridge,Mass.), 119, 2004
1TWH
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BU of 1twh by Molmil
RNA polymerase II complexed with 2'dATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 14.2 kDa polypeptide, ...
Authors:Westover, K.D, Bushnell, D.A, Kornberg, R.D.
Deposit date:2004-06-30
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center.
Cell(Cambridge,Mass.), 119, 2004
1TWF
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BU of 1twf by Molmil
RNA polymerase II complexed with UTP at 2.3 A resolution
Descriptor: DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 14.2 kDa polypeptide, DNA-directed RNA polymerase II 140 kDa polypeptide, ...
Authors:Westover, K.D, Bushnell, D.A, Kornberg, R.D.
Deposit date:2004-06-30
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center.
Cell(Cambridge,Mass.), 119, 2004
1TWC
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BU of 1twc by Molmil
RNA polymerase II complexed with GTP
Descriptor: DNA-DIRECTED RNA POLYMERASE II 14.2KD POLYPEPTIDE, DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 140 kDa polypeptide, ...
Authors:Westover, K.D, Bushnell, D.A, Kornberg, R.D.
Deposit date:2004-06-30
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center.
Cell(Cambridge,Mass.), 119, 2004
1TWA
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BU of 1twa by Molmil
RNA polymerase II complexed with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 14.2 kDa polypeptide, ...
Authors:Westover, K.D, Bushnell, D.A, Kornberg, R.D.
Deposit date:2004-06-30
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center.
Cell(Cambridge,Mass.), 119, 2004
7N8T
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BU of 7n8t by Molmil
Crystal Structure of AMP-bound Human JNK2
Descriptor: ADENOSINE MONOPHOSPHATE, HEXAETHYLENE GLYCOL, Mitogen-activated protein kinase 9
Authors:Li, L, Gurbani, D, Westover, K.D.
Deposit date:2021-06-15
Release date:2022-06-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1.
J.Med.Chem., 66, 2023
8ELC
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BU of 8elc by Molmil
Human JNK2 bound to covalent inhibitor YL2056
Descriptor: 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide, Mitogen-activated protein kinase 9
Authors:Li, L, Gurbani, D, Westover, K.D.
Deposit date:2022-09-23
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.072 Å)
Cite:Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1.
J.Med.Chem., 66, 2023
4WA7
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BU of 4wa7 by Molmil
Crystal Structure of a GDP-bound Q61L Oncogenic Mutant of Human GT- Pase KRas
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D.
Deposit date:2014-08-28
Release date:2015-06-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations.
Mol Cancer Res., 13, 2015
5E7R
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BU of 5e7r by Molmil
Crystal structure of TL10-81 bound to TAK1-TAB1
Descriptor: 2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide, TAK1 kinase - TAB1 chimera fusion protein
Authors:Gurbani, D, Hunter, J.C, Tan, L, Chen, Z, Westover, K.D.
Deposit date:2015-10-13
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
2YU9
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BU of 2yu9 by Molmil
RNA polymerase II elongation complex in 150 mm MG+2 with UTP
Descriptor: 28-MER DNA template strand, 5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3', 5'-R(*AP*UP*CP*GP*AP*GP*AP*GP*GP*A)-3', ...
Authors:Wang, D, Bushnell, D.A, Westover, K.D, Kaplan, C.D, Kornberg, R.D.
Deposit date:2007-04-06
Release date:2007-04-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural Basis of Transcription: Role of the Trigger Loop in Substrate Specificity and Catalysis
Cell(Cambridge,Mass.), 127, 2006
4LDJ
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BU of 4ldj by Molmil
Crystal Structure of a GDP-bound G12C Oncogenic Mutant of Human GTPase KRas
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Hunter, J.C, Gurbani, D, Chen, Z, Westover, K.D.
Deposit date:2013-06-24
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C.
Proc.Natl.Acad.Sci.USA, 111, 2014
2NVX
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BU of 2nvx by Molmil
RNA polymerase II elongation complex in 5 mM Mg+2 with 2'-dUTP
Descriptor: 28-MER DNA template strand, 5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3', 5'-R(*AP*UP*CP*GP*AP*GP*AP*GP*GP*A)-3', ...
Authors:Wang, D, Bushnell, D.A, Westover, K.D, Kaplan, C.D, Kornberg, R.D.
Deposit date:2006-11-13
Release date:2006-12-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis
Cell(Cambridge,Mass.), 127, 2006
4TQ9
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BU of 4tq9 by Molmil
Crystal Structure of a GDP-bound G12V Oncogenic Mutant of Human GTPase KRas
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D.
Deposit date:2014-06-10
Release date:2015-06-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.491 Å)
Cite:Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations.
Mol Cancer Res., 13, 2015
4TQA
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BU of 4tqa by Molmil
Crystal Structure of a GDP-bound G13D Oncogenic Mutant of Human GTPase KRas
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D.
Deposit date:2014-06-10
Release date:2015-06-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations.
Mol Cancer Res., 13, 2015
4NMM
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BU of 4nmm by Molmil
Crystal Structure of a G12C Oncogenic Variant of Human KRas Bound to a Novel GDP Competitive Covalent Inhibitor
Descriptor: 5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, GTPase KRas, MAGNESIUM ION
Authors:Hunter, J.C, Gurbani, D, Lim, S.M, Westover, K.D.
Deposit date:2013-11-15
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C.
Proc.Natl.Acad.Sci.USA, 111, 2014
4OBE
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BU of 4obe by Molmil
Crystal Structure of GDP-bound Human KRas
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Hunter, J.C, Gurbani, D, Chen, Z, Westover, K.D.
Deposit date:2014-01-07
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C.
Proc.Natl.Acad.Sci.USA, 111, 2014
4O91
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BU of 4o91 by Molmil
Crystal Structure of type II inhibitor NG25 bound to TAK1-TAB1
Descriptor: Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide
Authors:Gurbani, D, Hunter, J.C, Tan, L, Westover, K.D.
Deposit date:2013-12-31
Release date:2014-07-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Discovery of Type II Inhibitors of TGF beta-Activated Kinase 1 (TAK1) and Mitogen-Activated Protein Kinase Kinase Kinase Kinase 2 (MAP4K2).
J.Med.Chem., 58, 2015
4QL3
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BU of 4ql3 by Molmil
Crystal Structure of a GDP-bound G12R Oncogenic Mutant of Human GTPase KRas
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D.
Deposit date:2014-06-10
Release date:2015-06-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.041 Å)
Cite:Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations.
Mol Cancer Res., 13, 2015
6O36
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BU of 6o36 by Molmil
Crystal structure of human KRAS P34R mutant in complex with GNP
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Bera, A.K, Westover, K.D.
Deposit date:2019-02-26
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R.
Birth Defects Res, 112, 2020
6O46
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BU of 6o46 by Molmil
Crystal structure of human KRAS P34R mutant in complex with GNP and Phosphate
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Bera, A.K, Westover, K.D.
Deposit date:2019-02-28
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R.
Birth Defects Res, 112, 2020
5J7S
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BU of 5j7s by Molmil
Crystal structure of SM1-71 bound to TAK1-TAB1
Descriptor: Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide
Authors:Gurbani, D, Westover, K.D.
Deposit date:2016-04-06
Release date:2017-02-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.368 Å)
Cite:Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
5J9L
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BU of 5j9l by Molmil
Crystal structure of CPT1691 bound to TAK1-TAB1
Descriptor: Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide
Authors:Gurbani, D, Westover, K.D.
Deposit date:2016-04-10
Release date:2017-02-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7515 Å)
Cite:Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017

 

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