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2QD9
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P38 Alpha Map Kinase inhibitor based on heterobicyclic scaffolds
Descriptor: 1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{H}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione, Mitogen-activated protein kinase 14
Authors:Sack, J.S.
Deposit date:2007-06-20
Release date:2007-08-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Synthesis and SAR of p38alpha MAP kinase inhibitors based on heterobicyclic scaffolds.
Bioorg.Med.Chem.Lett., 17, 2007
2PZY
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Structure of MK2 Complexed with Compound 76
Descriptor: (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE, MAP kinase-activated protein kinase 2, STAUROSPORINE
Authors:White, A, Wu, J.P, Wang, J, Abeywardane, A, Andersen, D, Emmanuel, M, Gautschi, E, Goldberg, D.R, Kashem, M.A, Lukas, S, Mao, W, Martin, L, Morwick, T, Moss, N, Pargellis, C, Patel, U.R, Patnaude, L, Peet, G.W, Skow, D, Snow, R.J, Ward, Y, Werneburg, B.
Deposit date:2007-05-18
Release date:2007-07-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The discovery of carboline analogs as potent MAPKAP-K2 inhibitors
Bioorg.Med.Chem.Lett., 17, 2007
2PXR
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Crystal Structure of HIV-1 CA146 in the Presence of CAP-1
Descriptor: CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), ZINC ION
Authors:Kelly, B.N.
Deposit date:2007-05-14
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the Antiviral Assembly Inhibitor CAP-1 Complex with the HIV-1 CA Protein.
J.Mol.Biol., 373, 2007
2PWO
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Crystal Structure of HIV-1 CA146 A92E Psuedo Cell
Descriptor: CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol)
Authors:Kelly, B.N.
Deposit date:2007-05-11
Release date:2007-09-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of the Antiviral Assembly Inhibitor CAP-1 Complex with the HIV-1 CA Protein.
J.Mol.Biol., 373, 2007
2PWM
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Crystal Structure of HIV-1 CA146 A92E real cell
Descriptor: CHLORIDE ION, Gag-Pol polyprotein
Authors:Kelly, B.N.
Deposit date:2007-05-11
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Antiviral Assembly Inhibitor CAP-1 Complex with the HIV-1 CA Protein.
J.Mol.Biol., 373, 2007
2PUU
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Crystal structure of p38 complex with 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(6-morpholin-4-ylmethyl-pyridin-3-yl)naphthalen-1-yl]urea
Descriptor: 5-TERT-BUTYL-2-(4-METHYLPHENYL)-3-{[({4-[6-(MORPHOLIN-4-YLMETHYL)PYRIDIN-3-YL]-1-NAPHTHYL}AMINO)CARBONYL]AMINO}-1H-PYRAZOL-2-IUM, Mitogen-activated protein kinase 14
Authors:Qian, K.C.
Deposit date:2007-05-09
Release date:2008-05-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A new class of p38 MAP kinase inhibitors based on the pyrazole-naphthyl urea scaffold
To be Published
2P55
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X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP
Descriptor: 2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Ohren, J.F, Pavlovsky, A.G.
Deposit date:2007-03-14
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:4-anilino-5-carboxamido-2-pyridone derivatives as noncompetitive inhibitors of mitogen-activated protein kinase kinase.
J.Med.Chem., 50, 2007
2P3G
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Crystal structure of a pyrrolopyridine inhibitor bound to MAPKAP Kinase-2
Descriptor: 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 2
Authors:Kurumbail, R.G, Caspers, N.
Deposit date:2007-03-08
Release date:2007-06-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Pyrrolopyridine Inhibitors of Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 (MK-2).
J.Med.Chem., 50, 2007
2P33
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BU of 2p33 by Molmil
Synthesis and SAR of Aminopyrimidines as Novel c-Jun N-Terminal Kinase (JNK) Inhibitors
Descriptor: 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide, c-Jun N-terminal kinase 3
Authors:Ceska, T.A, Platt, A, Fortunato, M, Dickson, K.M, Sharpe, A.
Deposit date:2007-03-08
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis and SAR of aminopyrimidines as novel c-Jun N-terminal kinase (JNK) inhibitors
Bioorg.Med.Chem.Lett., 17, 2007
2OZA
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Structure of p38alpha complex
Descriptor: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14
Authors:White, A, Pargellis, C.A, Studts, J.M, Werneburg, B.G, Farmer II, B.T.
Deposit date:2007-02-25
Release date:2007-04-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of MAPK-activated protein kinase 2:p38 assembly
Proc.Natl.Acad.Sci.Usa, 104, 2007
2ONL
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Crystal Structure of the p38a-MAPKAP kinase 2 Heterodimer
Descriptor: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14
Authors:Ter Haar, E.
Deposit date:2007-01-24
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4 Å)
Cite:Crystal structure of the P38alpha-MAPKAP kinase 2 heterodimer.
J.Biol.Chem., 282, 2007
2OKR
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Crystal Structure of the P38a-MAPKAP kinase 2 Heterodimer
Descriptor: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14
Authors:Ter Haar, E.
Deposit date:2007-01-17
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the P38alpha-MAPKAP kinase 2 heterodimer.
J.Biol.Chem., 282, 2007
2OK1
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Crystal structure of JNK3 bound to N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 10, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-15
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OJJ
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Crystal structure of ERK2 in complex with (S)-N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OJI
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Crystal structure of ERK2 in complex with N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 1, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OJG
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Crystal structure of ERK2 in complex with N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 1, N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2O2U
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BU of 2o2u by Molmil
Crystal structure of human JNK3 complexed with N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
Descriptor: Mitogen-activated protein kinase 10, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
Authors:Somers, D, Rowland, P.
Deposit date:2006-11-30
Release date:2007-02-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3.
Bioorg.Med.Chem.Lett., 17, 2007
2O0U
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Crystal structure of human JNK3 complexed with N-{3-cyano-6-[3-(1-piperidinyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}-1-naphthalenecarboxamide
Descriptor: Mitogen-activated protein kinase 10, N-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPANOYL]-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-2-YL}1-NAPHTHALENECARBOXAMIDE
Authors:Rowland, P, Somers, D.
Deposit date:2006-11-28
Release date:2007-02-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3.
Bioorg.Med.Chem.Lett., 17, 2007
2M8P
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BU of 2m8p by Molmil
The structure of the W184AM185A mutant of the HIV-1 capsid protein
Descriptor: Capsid protein p24
Authors:Deshmukh, L, Schwieters, C.D, Grishaev, A, Clore, G, Ghirlando, R.
Deposit date:2013-05-24
Release date:2013-11-20
Last modified:2023-06-14
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:Structure and Dynamics of Full-Length HIV-1 Capsid Protein in Solution.
J.Am.Chem.Soc., 135, 2013
2M8N
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BU of 2m8n by Molmil
HIV-1 capsid monomer structure
Descriptor: Capsid protein p24
Authors:Deshmukh, L, Schwieters, C.D, Grishaev, A, Clore, G, Ghirlando, R.
Deposit date:2013-05-24
Release date:2013-11-20
Last modified:2023-06-14
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:Structure and Dynamics of Full-Length HIV-1 Capsid Protein in Solution.
J.Am.Chem.Soc., 135, 2013
2M8L
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HIV capsid dimer structure
Descriptor: Capsid protein p24
Authors:Deshmukh, L, Schwieters, C.D, Grishaev, A, Clore, G, Ghirlando, R.
Deposit date:2013-05-23
Release date:2013-11-20
Last modified:2023-06-14
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:Structure and Dynamics of Full-Length HIV-1 Capsid Protein in Solution.
J.Am.Chem.Soc., 135, 2013
2LP1
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BU of 2lp1 by Molmil
The solution NMR structure of the transmembrane C-terminal domain of the amyloid precursor protein (C99)
Descriptor: C99
Authors:Barrett, P.J, Song, Y, Van Horn, W.D, Hustedt, E.J, Schafer, J.M, Hadziselimovic, A, Beel, A.J, Sanders, C.R.
Deposit date:2012-01-30
Release date:2012-06-06
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The amyloid precursor protein has a flexible transmembrane domain and binds cholesterol.
Science, 336, 2012
2LGC
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BU of 2lgc by Molmil
Joint NMR and X-ray refinement reveals the structure of a novel dibenzo[a,d]cycloheptenone inhibitor/p38 MAP kinase complex in solution
Descriptor: Mitogen-activated protein kinase 14
Authors:Habeck, M.
Deposit date:2011-07-25
Release date:2012-07-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Inferential NMR/X-ray-based structure determination of a dibenzo[a,d]cycloheptenone inhibitor-p38alpha MAP kinase complex in solution
Angew.Chem.Int.Ed.Engl., 51, 2012
2LF4
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BU of 2lf4 by Molmil
Structure of a monomeric mutant of the HIV-1 capsid protein
Descriptor: Gag polyprotein
Authors:Shin, R.S, Tzou, Y, Krishna, N.
Deposit date:2011-06-28
Release date:2011-11-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of a Monomeric Mutant of the HIV-1 Capsid Protein.
Biochemistry, 50, 2011
2KA6
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BU of 2ka6 by Molmil
NMR structure of the CBP-TAZ2/STAT1-TAD complex
Descriptor: CREB-binding protein, Signal transducer and activator of transcription 1-alpha/beta, ZINC ION
Authors:Wojciak, J.M, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
Deposit date:2008-10-30
Release date:2009-04-07
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structural basis for recruitment of CBP/p300 coactivators by STAT1 and STAT2 transactivation domains.
Embo J., 28, 2009

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