2JHB
 
 | | CORE BINDING FACTOR BETA | | Descriptor: | PROTEIN (CORE BINDING FACTOR BETA) | | Authors: | Huang, X, Peng, J, Speck, N.A, Bushweller, J.H. | | Deposit date: | 1999-03-17 | | Release date: | 1999-07-05 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of core binding factor beta and map of the CBF alpha binding site.
Nat.Struct.Biol., 6, 1999
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4L98
 | | Crystal structure of the complex of F360L PPARgamma mutant with the ligand LT175 | | Descriptor: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Pochetti, G, Montanari, R, Consalvi, V, Chiaraluce, R, Pasquo, A, Capelli, D, Loiodice, F, Laghezza, A, Lori, C. | | Deposit date: | 2013-06-18 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural basis of the transactivation deficiency of the human PPAR gamma F360L mutant associated with familial partial lipodystrophy.
Acta Crystallogr.,Sect.D, 70, 2014
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3FKN
 | | P38 kinase crystal structure in complex with RO7125 | | Descriptor: | 3-[2-chloro-5-(methylsulfonyl)phenyl]-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidine, Mitogen-activated protein kinase 14 | | Authors: | Kuglstatter, A, Ghate, M. | | Deposit date: | 2008-12-17 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
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3FLN
 | | P38 kinase crystal structure in complex with R1487 | | Descriptor: | 6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14 | | Authors: | Kuglstatter, A, Knapp, M. | | Deposit date: | 2008-12-19 | | Release date: | 2009-12-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
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3FLY
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3FMH
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3FMM
 | | P38 kinase crystal structure in complex with RO6226 | | Descriptor: | 6-(2,4-difluorophenoxy)-N-[(1R)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine, Mitogen-activated protein kinase 14 | | Authors: | Kuglstatter, A, Ghate, M. | | Deposit date: | 2008-12-22 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | P38 kinase crystal structure in complex with RO6226
To be Published
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1YW2
 | | Mutated Mus Musculus P38 Kinase (mP38) | | Descriptor: | 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE, Mitogen-activated protein kinase 14 | | Authors: | Laughlin, S.K, Clark, M.P, Djung, J.F, Golebiowski, A, Brugel, T.A, Sabat, M, Bookland, R.G, Laufersweiler, M.J, Vanrens, J.C, Townes, J.A, De, B, Hsieh, L.C, Xu, S.C, Walter, R.L, Mekel, M.J, Janusz, M.J. | | Deposit date: | 2005-02-16 | | Release date: | 2005-05-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | The development of new isoxazolone based inhibitors of tumor necrosis factor-alpha (TNF-alpha) production.
Bioorg.Med.Chem.Lett., 15, 2005
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3IW8
 | | Structure of Inactive Human p38 MAP Kinase in Complex with a Thiazole-Urea | | Descriptor: | 1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | | Deposit date: | 2009-09-02 | | Release date: | 2009-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
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3IFJ
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4KZI
 | | Crystal Structure of TR3 LBD in complex with DPDO | | Descriptor: | 1-(3,5-dimethoxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T. | | Deposit date: | 2013-05-30 | | Release date: | 2013-12-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
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3IPH
 | | Crystal structure of p38 in complex with a biphenylamide inhibitor | | Descriptor: | 6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide, GLYCEROL, Mitogen-activated protein kinase 14, ... | | Authors: | Somers, D.O. | | Deposit date: | 2009-08-17 | | Release date: | 2009-11-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | p38alpha mitogen-activated protein kinase inhibitors: optimization of a series of biphenylamides to give a molecule suitable for clinical progression.
J.Med.Chem., 52, 2009
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1LAV
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3FLQ
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4IJM
 | | Crystal structure of circadian clock protein KaiC A422V mutant | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION, ... | | Authors: | Egli, M, Pattanayek, R. | | Deposit date: | 2012-12-21 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.352 Å) | | Cite: | Loop-Loop Interactions Regulate KaiA-Stimulated KaiC Phosphorylation in the Cyanobacterial KaiABC Circadian Clock.
Biochemistry, 52, 2013
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1OE0
 | | CRYSTAL STRUCTURE OF DROSOPHILA DEOXYRIBONUCLEOSIDE KINASE IN COMPLEX WITH DTTP | | Descriptor: | DEOXYRIBONUCLEOSIDE KINASE, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE | | Authors: | Mikkelsen, N.E, Johansson, K, Karlsson, A, Knecht, W, Andersen, G, Piskur, J, Munch-Petersen, B, Eklund, H. | | Deposit date: | 2003-03-17 | | Release date: | 2003-10-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis for Feedback Inhibition of the Deoxyribonucleoside Salvage Pathway:Studies of the Drosophila Deoxyribonucleoside Kinase
Biochemistry, 42, 2003
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3U8W
 | | Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Triazolopyridazinone inhibitor | | Descriptor: | 3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14 | | Authors: | Mohr, C, Jordan, S. | | Deposit date: | 2011-10-17 | | Release date: | 2012-08-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Identification of triazolopyridazinones as potent p38alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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1IE8
 | | Crystal Structure Of The Nuclear Receptor For Vitamin D Ligand Binding Domain Bound to KH1060 | | Descriptor: | 5-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, VITAMIN D3 RECEPTOR | | Authors: | Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Mitschler, A, Moras, D. | | Deposit date: | 2001-04-09 | | Release date: | 2001-05-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Crystal structures of the vitamin D receptor complexed to superagonist 20-epi ligands.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1KVB
 | | E. COLI RIBONUCLEASE HI D134H MUTANT | | Descriptor: | RIBONUCLEASE H | | Authors: | Kashiwagi, T, Jeanteur, D, Haruki, M, Katayanagi, K, Kanaya, S, Morikawa, K. | | Deposit date: | 1996-10-04 | | Release date: | 1997-03-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Proposal for new catalytic roles for two invariant residues in Escherichia coli ribonuclease HI.
Protein Eng., 9, 1996
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3QUD
 | | Human p38 MAP Kinase in Complex with 2-amino-phenylamino-benzophenone | | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside, {4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone | | Authors: | Gruetter, C, Rauh, D. | | Deposit date: | 2011-02-23 | | Release date: | 2012-04-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Resolving the selectivity problem for p38 mitogen activated protein (MAP) Kinase-inhibitors: Development of new highly potent inhibitors of p38 MAP kinase with an outstanding selectivity profile
To be Published
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4L96
 | | Structure of the complex between the F360L PPARgamma mutant and the ligand LT175 (space group I222) | | Descriptor: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Pochetti, G, Montanari, R, Capelli, D, Chiaraluce, R, Consalvi, V, Pasquo, A, Lori, C, Laghezza, A, Loiodice, F. | | Deposit date: | 2013-06-18 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structural basis of the transactivation deficiency of the human PPAR gamma F360L mutant associated with familial partial lipodystrophy.
Acta Crystallogr.,Sect.D, 70, 2014
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1JW2
 | | SOLUTION STRUCTURE OF HEMOLYSIN EXPRESSION MODULATING PROTEIN Hha FROM ESCHERICHIA COLI. Ontario Centre for Structural Proteomics target EC0308_1_72; Northeast Structural Genomics Target ET88 | | Descriptor: | HEMOLYSIN EXPRESSION MODULATING PROTEIN Hha | | Authors: | Chang, X, Yee, A, Savchenko, A, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2001-09-02 | | Release date: | 2002-02-27 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An NMR approach to structural proteomics
Proc.Natl.Acad.Sci.USA, 99, 2002
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2KQW
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3FKL
 | | P38 kinase crystal structure in complex with RO9552 | | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2H-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide | | Authors: | Kuglstatter, A, Ghate, M. | | Deposit date: | 2008-12-17 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
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3FKO
 | | P38 kinase crystal structure in complex with RO3668 | | Descriptor: | 3-(2-chlorophenyl)-6-(2-fluorophenoxy)-2H-indazole, Mitogen-activated protein kinase 14 | | Authors: | Kuglstatter, A, Knapp, M. | | Deposit date: | 2008-12-17 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
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