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: | 2019-10-16 | 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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4ZJI
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4ZJJ
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5IS5
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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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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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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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1MPF
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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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1OPF
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1PHO
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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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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: | 2018-10-10 | 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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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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4ZLO
| Serine/threonine-protein kinase PAK1 complexed with a dibenzodiazepine: identification of an allosteric site on PAK1 | Descriptor: | 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, GLYCEROL, Serine/threonine-protein kinase PAK 1 | Authors: | Bellamacina, C.R, Bussiere, D.E. | Deposit date: | 2015-05-01 | Release date: | 2015-08-05 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor. Acs Med.Chem.Lett., 6, 2015
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1BT9
| OMPF PORIN MUTANT D74A | Descriptor: | PROTEIN (MATRIX PORIN OUTER MEMBRANE PROTEIN F) | Authors: | Philippsen, A, Schirmer, T. | Deposit date: | 1998-09-01 | Release date: | 1999-01-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Stability of trimeric OmpF porin: the contributions of the latching loop L2. Biochemistry, 37, 1998
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7R2B
| PI3Kdelta in complex with an inhibitor | Descriptor: | (4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Gutmann, S, Rummel, G, Shrestha, B. | Deposit date: | 2022-02-04 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor. J.Med.Chem., 65, 2022
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