1AP9
| X-RAY STRUCTURE OF BACTERIORHODOPSIN FROM MICROCRYSTALS GROWN IN LIPIDIC CUBIC PHASES | Descriptor: | BACTERIORHODOPSIN, RETINAL | Authors: | Pebay-Peyroula, E, Rummel, G, Rosenbusch, J.P, Landau, E.M. | Deposit date: | 1997-07-26 | Release date: | 1998-09-16 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | X-ray structure of bacteriorhodopsin at 2.5 angstroms from microcrystals grown in lipidic cubic phases. Science, 277, 1997
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3IW4
| Crystal structure of PKC alpha in complex with NVP-AEB071 | Descriptor: | 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1H-pyrrole-2,5-dione, Protein kinase C alpha type | Authors: | Stark, W, Rummel, G, Strauss, A, Cowan-Jacob, S.W. | Deposit date: | 2009-09-02 | Release date: | 2009-11-03 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione (AEB071), a potent and selective inhibitor of protein kinase C isotypes J.Med.Chem., 52, 2009
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5O83
| Discovery of CDZ173 (leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors | Descriptor: | Leniolisib, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Gutmann, S, Rummel, G, Shrestha, B. | Deposit date: | 2017-06-12 | Release date: | 2017-09-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of CDZ173 (Leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors. ACS Med Chem Lett, 8, 2017
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5IS5
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3TXO
| PKC eta kinase in complex with a naphthyridine | Descriptor: | 2-methyl-N~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine, Protein kinase C eta type | Authors: | Stark, W, Rummel, G, Cowan-Jacob, S.W. | Deposit date: | 2011-09-23 | Release date: | 2011-11-30 | Last modified: | 2011-12-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 2,6-Naphthyridines as potent and selective inhibitors of the novel protein kinase C isozymes. Bioorg.Med.Chem.Lett., 21, 2011
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2JED
| The crystal structure of the kinase domain of the protein kinase C theta in complex with NVP-XAA228 at 2.32A resolution. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(8-DIMETHYLAMINOMETHYL-6,7,8,9-TETRAHYDRO-PYRIDO[1,2-A]INDOL-10-YL)-4-(1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE, PROTEIN KINASE C THETA | Authors: | Stark, W, Bitsch, F, Berner, A, Buelens, F, Graff, P, Depersin, H, Geiser, M, Knecht, R, Rahuel, J, Rummel, G, Schlaeppi, J.M, Schmitz, R, Strauss, A, Wagner, J. | Deposit date: | 2007-01-16 | Release date: | 2008-02-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | The Crystal Structure of the Kinase Domain of the Protein Kinase C Theta in Complex with Nvp-Xaa228 To be Published
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4ZJJ
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4ZJI
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2J1N
| osmoporin OmpC | Descriptor: | CHLORIDE ION, DODECANE, MAGNESIUM ION, ... | Authors: | Basle, A, Storici, P, Rummel, G, Rosenbusch, J.P, Schirmer, T. | Deposit date: | 2006-08-15 | Release date: | 2006-09-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Osmoporin Ompc from E. Coli at 2.0 A. J.Mol.Biol., 362, 2006
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1OPF
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1MPF
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1PHO
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2OMF
| OMPF PORIN | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F | Authors: | Cowan, S.W. | Deposit date: | 1995-02-28 | Release date: | 1995-12-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Refined Structure of Ompf Porin from E.Coli at 2.4 Angstroms Resolution To be Published
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6IBB
| Crystal structure of the rat isoform of the succinate receptor SUCNR1 (GPR91) in complex with a nanobody | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S},5~{R})-hexane-2,5-diol, CHOLESTEROL, ... | Authors: | Haffke, M, Jaakola, V.-P. | Deposit date: | 2018-11-29 | Release date: | 2019-08-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural basis of species-selective antagonist binding to the succinate receptor. Nature, 574, 2019
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1GFM
| OMPF PORIN (MUTANT D113G) | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F | Authors: | Lou, K.-L, Schirmer, T. | Deposit date: | 1996-05-08 | Release date: | 1996-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural and functional characterization of OmpF porin mutants selected for larger pore size. I. Crystallographic analysis. J.Biol.Chem., 271, 1996
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1GFP
| OMPF PORIN (MUTANT R42C) | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F | Authors: | Lou, K.-L, Schirmer, T. | Deposit date: | 1996-05-08 | Release date: | 1996-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and functional characterization of OmpF porin mutants selected for larger pore size. I. Crystallographic analysis. J.Biol.Chem., 271, 1996
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1GFN
| OMPF PORIN DELETION (MUTANT DELTA 109-114) | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F | Authors: | Lou, K.-L, Schirmer, T. | Deposit date: | 1996-05-08 | Release date: | 1996-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural and functional characterization of OmpF porin mutants selected for larger pore size. I. Crystallographic analysis. J.Biol.Chem., 271, 1996
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1GFO
| OMPF PORIN (MUTANT R132P) | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F | Authors: | Lou, K.-L, Schirmer, T. | Deposit date: | 1996-05-08 | Release date: | 1996-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural and functional characterization of OmpF porin mutants selected for larger pore size. I. Crystallographic analysis. J.Biol.Chem., 271, 1996
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1GFQ
| OMPF PORIN (MUTANT R82C) | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F | Authors: | Lou, K.-L, Schirmer, T. | Deposit date: | 1996-05-08 | Release date: | 1996-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and functional characterization of OmpF porin mutants selected for larger pore size. I. Crystallographic analysis. J.Biol.Chem., 271, 1996
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6RNK
| Crystal structure of a humanized (K18E, K269N) rat succinate receptor SUCNR1 (GPR91) in complex with a nanobody and antagonist NF-56-EJ40. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, GLYCEROL, ... | Authors: | Haffke, M, Jaakola, V.-P. | Deposit date: | 2019-05-08 | Release date: | 2019-08-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural basis of species-selective antagonist binding to the succinate receptor. Nature, 574, 2019
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6HD4
| ABL1 IN COMPLEX WITH COMPOUND 7 AND IMATINIB (STI-571) | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, 6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{N}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide, CHLORIDE ION, ... | Authors: | Cowan-Jacob, S.W. | Deposit date: | 2018-08-17 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1. J. Med. Chem., 61, 2018
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6HD6
| ABL1 IN COMPLEX WITH COMPOUND6 AND IMATINIB (STI-571) | Descriptor: | 3-(morpholin-4-ylmethyl)-~{N}-[4-(trifluoromethyloxy)phenyl]benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ... | Authors: | Cowan-Jacob, S.W. | Deposit date: | 2018-08-17 | Release date: | 2018-09-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1. J. Med. Chem., 61, 2018
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3K5V
| Structure of Abl kinase in complex with imatinib and GNF-2 | Descriptor: | 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ... | Authors: | Cowan-Jacob, S.W, Fendrich, G, Rummel, G, Strauss, A. | Deposit date: | 2009-10-08 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Targeting Bcr-Abl by combining allosteric with ATP-binding-site inhibitors. Nature, 463, 2010
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3MS9
| ABL kinase in complex with imatinib and a fragment (FRAG1) in the myristate pocket | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, Tyrosine-protein kinase ABL1, ... | Authors: | Cowan-Jacob, S.W, Rummel, G, Fendrich, G. | Deposit date: | 2010-04-29 | Release date: | 2010-05-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay. J.Am.Chem.Soc., 132, 2010
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5ITD
| Crystal structure of PI3K alpha with PI3K delta inhibitor | Descriptor: | 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Knapp, M.S, Elling, R.A. | Deposit date: | 2016-03-16 | Release date: | 2016-09-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors. Acs Med.Chem.Lett., 7, 2016
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