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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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BU of 2oza by Molmil
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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BU of 2okr by Molmil
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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BU of 2m8l by Molmil
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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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
2JPR
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BU of 2jpr by Molmil
Joint refinement of the HIV-1 CA-NTD in complex with the assembly inhibitor CAP-1
Descriptor: 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea, Gag-Pol polyprotein
Authors:Kelly, B.N, Kyere, S, Kinde, I, Tang, C, Howard, B.R, Robinson, H, Sundquist, W.I, Summers, M.F, Hill, C.P.
Deposit date:2007-05-22
Release date:2007-10-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of the Antiviral Assembly Inhibitor CAP-1 Complex with the HIV-1 CA Protein
J.Mol.Biol., 373, 2007
2JGC
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BU of 2jgc by Molmil
Structure of the human eIF4E homologous protein, 4EHP without ligand bound
Descriptor: EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE 2, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1
Authors:Cameron, A.D, Rosettani, P, Knapp, S, Vismara, M.G, Rusconi, L.
Deposit date:2007-02-12
Release date:2007-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of the human eIF4E homologous protein, h4EHP, in its m7GTP-bound and unliganded forms.
J. Mol. Biol., 368, 2007
2JGB
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Structure of human eIF4E homologous protein 4EHP with m7GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE 2, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1
Authors:Cameron, A.D, Rosettani, P, Knapp, S, Vismara, M.G, Rusconi, L.
Deposit date:2007-02-12
Release date:2007-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of the human eIF4E homologous protein, h4EHP, in its m7GTP-bound and unliganded forms.
J. Mol. Biol., 368, 2007
2JBP
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BU of 2jbp by Molmil
Protein kinase MK2 in complex with an inhibitor (crystal form-2, co- crystallization)
Descriptor: 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP KINASE-ACTIVATED PROTEIN KINASE 2
Authors:Hillig, R.C, Eberspaecher, U, Monteclaro, F, Huber, M, Nguyen, D, Mengel, A, Muller-Tiemann, B, Egner, U.
Deposit date:2006-12-09
Release date:2007-03-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Structural basis for a high affinity inhibitor bound to protein kinase MK2.
J. Mol. Biol., 369, 2007
2JBO
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Protein kinase MK2 in complex with an inhibitor (crystal form-1, soaking)
Descriptor: 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP KINASE-ACTIVATED PROTEIN KINASE 2, PHOSPHATE ION
Authors:Hillig, R.C, Eberspaecher, U, Monteclaro, F, Huber, M, Nguyen, D, Mengel, A, Muller-Tiemann, B, Egner, U.
Deposit date:2006-12-09
Release date:2007-03-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis for a High Affinity Inhibitor Bound to Protein Kinase Mk2.
J.Mol.Biol., 369, 2007
2I0H
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The structure of p38alpha in complex with an arylpyridazinone
Descriptor: 2-(3-{(2-CHLORO-4-FLUOROPHENYL)[1-(2-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL]AMINO}PROPYL)-1H-ISOINDOLE-1,3(2H)-DIONE, GLYCEROL, Mitogen-activated protein kinase 14
Authors:Natarajan, S.R, Heller, S.T, Nam, K, Singh, S.B, Scapin, G, Patel, S, Thompson, J.E, Fitzgerald, C.E, O'Keefe, S.J.
Deposit date:2006-08-10
Release date:2006-10-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:p38 MAP Kinase Inhibitors Part 6: 2-Arylpyridazin-3-ones as templates for inhibitor design.
Bioorg.Med.Chem.Lett., 16, 2006
2H7E
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Solution structure of the talin F3 domain in complex with a chimeric beta3 integrin-PIP kinase peptide- minimized average structure
Descriptor: Chimera of 24-mer peptide from Integrin beta-3 and 10-mer peptide from Phosphatidylinositol-4-phosphate 5-kinase type-1 gamma, Talin-1
Authors:Wegener, K.L.
Deposit date:2006-06-02
Release date:2007-01-30
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Structural basis of integrin activation by talin
CELL(CAMBRIDGE,MASS.), 128, 2007
2H7D
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Solution structure of the talin F3 domain in complex with a chimeric beta3 integrin-PIP kinase peptide
Descriptor: Chimera of 24-mer peptide from Integrin beta-3 and 10-mer peptide from Phosphatidylinositol-4-phosphate 5-kinase type-1 gamma, Talin-1
Authors:Wegener, K.L.
Deposit date:2006-06-02
Release date:2007-01-30
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Structural basis of integrin activation by talin
CELL(CAMBRIDGE,MASS.), 128, 2007

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