7BE5
 
 | | Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR276 | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-22 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8000524 Å) | | Cite: | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
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7BDO
 | | MAPK14 bound with SR302 | | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide | | Authors: | Schroeder, M, Roehm, S, Joerger, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-22 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
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4O6E
 | | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2 | | Descriptor: | Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2013-12-20 | | Release date: | 2014-05-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2.
Bioorg.Med.Chem.Lett., 24, 2014
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3U85
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4N0S
 | | Complex of ERK2 with caffeic acid | | Descriptor: | CAFFEIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Kurinov, I, Malakhova, M. | | Deposit date: | 2013-10-02 | | Release date: | 2014-08-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7992 Å) | | Cite: | Caffeic Acid Directly Targets ERK1/2 to Attenuate Solar UV-Induced Skin Carcinogenesis.
Cancer Prev Res (Phila), 7, 2014
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3UP0
 | | Nuclear receptor DAF-12 from hookworm Ancylostoma ceylanicum in complex with (25S)-delta7-dafachronic acid | | Descriptor: | (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid, Nuclear receptor coactivator 2, aceDAF-12 | | Authors: | Zhi, X, Zhou, X.E, Melcher, K, Motola, D.L, Gelmedin, V, Hawdon, J, Kliewer, S.A, Mangelsdorf, D.J, Xu, H.E. | | Deposit date: | 2011-11-17 | | Release date: | 2011-12-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Conservation of Ligand Binding Reveals a Bile Acid-like Signaling Pathway in Nematodes.
J.Biol.Chem., 287, 2012
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3BTV
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3U86
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3U88
 | | Crystal structure of human menin in complex with MLL1 and LEDGF | | Descriptor: | (4beta,8alpha,9R)-6'-methoxy-10,11-dihydrocinchonan-9-ol, CHOLIC ACID, GLYOXYLIC ACID, ... | | Authors: | Huang, J, Wan, B, Lei, M. | | Deposit date: | 2011-10-16 | | Release date: | 2012-02-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The same pocket in menin binds both MLL and JUND but has opposite effects on transcription.
Nature, 482, 2012
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7FIK
 | | The cryo-EM structure of the CR subunit from X. laevis NPC | | Descriptor: | MGC154553 protein, MGC83295 protein, MGC83926 protein, ... | | Authors: | Shi, Y, Huang, G, Zhan, X. | | Deposit date: | 2021-07-31 | | Release date: | 2022-11-09 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structure of the cytoplasmic ring of the Xenopus laevis nuclear pore complex.
Science, 376, 2022
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3U84
 | | Crystal Structure of Human Menin | | Descriptor: | Menin | | Authors: | Huang, J, Wan, B, Lei, M. | | Deposit date: | 2011-10-15 | | Release date: | 2012-02-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The same pocket in menin binds both MLL and JUND but has opposite effects on transcription.
Nature, 482, 2012
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2MA9
 | | HIV-1 Vif SOCS-box and Elongin BC solution structure | | Descriptor: | Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, Virion infectivity factor | | Authors: | Lu, Z, Bergeron, J.R, Atkinson, R.A, Schaller, T, Veselkov, D.A, Oregioni, A, Yang, Y, Matthews, S.J, Malim, M.H, Sanderson, M.R. | | Deposit date: | 2013-07-01 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Insight into the HIV-1 Vif SOCS-box-ElonginBC interaction.
OPEN BIOLOGY, 3, 2013
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3WEE
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2E00
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5IP5
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1BMK
 | | THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB218655 | | Descriptor: | 4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE, PROTEIN (MAP KINASE P38) | | Authors: | Wang, Z, Canagarajah, B, Boehm, J.C, Kassis, S, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J. | | Deposit date: | 1998-07-23 | | Release date: | 1999-07-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
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8DCP
 | | PI 3-kinase alpha with nanobody 3-126 | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2022-06-17 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.41 Å) | | Cite: | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8DD4
 | | PI 3-kinase alpha with nanobody 3-142 | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2022-06-17 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8DD8
 | | PI 3-kinase alpha with nanobody 3-142, crosslinked with DSG | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2022-06-17 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8DCX
 | | PI 3-kinase alpha with nanobody 3-159 | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2022-06-17 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
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1BL7
 | | THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB220025 | | Descriptor: | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, PROTEIN (MAP KINASE P38) | | Authors: | Wang, Z, Canagarajah, B.J, Boehm, J.C, Kassis, S, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J. | | Deposit date: | 1998-07-23 | | Release date: | 1999-07-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
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3P7A
 | | p38 inhibitor-bound | | Descriptor: | 1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Moffett, K.K, Namboodiri, H. | | Deposit date: | 2010-10-12 | | Release date: | 2011-10-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).
Bioorg.Med.Chem.Lett., 21, 2011
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1DI9
 | | THE STRUCTURE OF P38 MITOGEN-ACTIVATED PROTEIN KINASE IN COMPLEX WITH 4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE | | Descriptor: | 4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE, P38 KINASE | | Authors: | Shewchuk, L, Hassell, A, Kuyper, L.F. | | Deposit date: | 1999-11-29 | | Release date: | 2000-11-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Binding mode of the 4-anilinoquinazoline class of protein kinase inhibitor: X-ray crystallographic studies of 4-anilinoquinazolines bound to cyclin-dependent kinase 2 and p38 kinase.
J.Med.Chem., 43, 2000
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8TU6
 | | CryoEM structure of PI3Kalpha | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Valverde, R, Shi, H, Holliday, M. | | Deposit date: | 2023-08-15 | | Release date: | 2023-11-15 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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3P79
 | | P38 inhibitor-bound | | Descriptor: | 1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1H-pyrazol-5-yl}-3-naphthalen-2-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Moffett, K.K, Namboodiri, H. | | Deposit date: | 2010-10-12 | | Release date: | 2011-10-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).
Bioorg.Med.Chem.Lett., 21, 2011
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