8U37
| Crystal structure of the catalytic domain of human PKC alpha (D463N, V568I, S657E) in complex with NVP-CJL037 at 2.48-A resolution | Descriptor: | (6M)-3-amino-N-{4-[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]pyridin-3-yl}-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide, MAGNESIUM ION, Protein kinase C alpha type | Authors: | Romanowski, M.J, Lam, J, Visser, M. | Deposit date: | 2023-09-07 | Release date: | 2024-01-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery of Darovasertib (NVP-LXS196), a Pan-PKC Inhibitor for the Treatment of Metastatic Uveal Melanoma. J.Med.Chem., 67, 2024
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8UAK
| Crystal structure of the catalytic domain of human PKC alpha (D463N, V568I, S657E) in complex with Darovasertib (NVP-LXS196) at 2.82-A resolution | Descriptor: | (6M)-3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide, Protein kinase C alpha type | Authors: | Romanowski, M.J, Lam, J, Visser, M. | Deposit date: | 2023-09-21 | Release date: | 2024-01-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Discovery of Darovasertib (NVP-LXS196), a Pan-PKC Inhibitor for the Treatment of Metastatic Uveal Melanoma. J.Med.Chem., 67, 2024
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1SHJ
| Caspase-7 in complex with DICA allosteric inhibitor | Descriptor: | 2-(2,4-DICHLORO-PHENOXY)-N-(2-MERCAPTO-ETHYL)-ACETAMIDE, Caspase-7, SULFATE ION | Authors: | Hardy, J.A, Lam, J, Nguyen, J.T, O'Brien, T, Wells, J.A. | Deposit date: | 2004-02-25 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of an allosteric site in the caspases Proc.Natl.Acad.Sci.USA, 101, 2004
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1SHL
| CASPASE-7 IN COMPLEX WITH FICA ALLOSTERIC INHIBITOR | Descriptor: | 5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-(2-MERCAPTO-ETHYL)-AMIDE, Caspase-7 | Authors: | Hardy, J.A, Lam, J, Nguyen, J.T, O'Brien, T, Wells, J.A. | Deposit date: | 2004-02-25 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of an allosteric site in the caspases Proc.Natl.Acad.Sci.USA, 101, 2004
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1JTZ
| CRYSTAL STRUCTURE OF TRANCE/RANKL CYTOKINE. | Descriptor: | TUMOR NECROSIS FACTOR LIGAND SUPERFAMILY MEMBER 11 | Authors: | Nelson, C.A, Fremont, D.H. | Deposit date: | 2001-08-23 | Release date: | 2001-09-12 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the TRANCE/RANKL cytokine reveals determinants of receptor-ligand specificity J.Clin.Invest., 108, 2001
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4UXL
| Structure of Human ROS1 Kinase Domain in Complex with PF-06463922 | Descriptor: | (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2014-08-25 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Pf-06463922 is a Potent and Selective Next-Generation Ros1/Alk Inhibitor Capable of Blocking Crizotinib-Resistant Ros1 Mutations. Proc.Natl.Acad.Sci.USA, 112, 2015
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1NMS
| Caspase-3 tethered to irreversible inhibitor | Descriptor: | 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID, Caspase-3 | Authors: | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W.L, Choong, I.C, Flanagan, W.M, Lee, D, O'Brian, T. | Deposit date: | 2003-01-10 | Release date: | 2003-03-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | In situ assembly of enzyme inhibitors using extended tethering. Nat.Biotechnol., 21, 2003
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1NME
| Structure of Casp-3 with tethered salicylate | Descriptor: | 2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID, 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3 | Authors: | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, B, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T. | Deposit date: | 2003-01-09 | Release date: | 2003-03-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | In situ assembly of enzyme inhibitors using extended tethering. Nat.Biotechnol., 21, 2003
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1NMQ
| Extendend Tethering: In Situ Assembly of Inhibitors | Descriptor: | 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3 | Authors: | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T. | Deposit date: | 2003-01-10 | Release date: | 2003-03-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | In situ assembly of enzyme inhibitors using extended tethering. Nat.Biotechnol., 21, 2003
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8DNN
| Crystal structure of neutralizing antibody 80 in complex with SARS-CoV-2 receptor binding domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 80 FAB HEAVY CHAIN, 80 FAB LIGHT CHAIN, ... | Authors: | Muthuraman, K, Kucharska, I, Ivanochko, D, Julien, J.P. | Deposit date: | 2022-07-11 | Release date: | 2023-05-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | A multi-specific, multi-affinity antibody platform neutralizes sarbecoviruses and confers protection against SARS-CoV-2 in vivo. Sci Transl Med, 15, 2023
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3D14
| Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)-ethyl]- thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea | Descriptor: | 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6 | Authors: | Elling, R.A, Baskaran, S, Allen, D.A, Oslob, J.D, Romanowski, M.J. | Deposit date: | 2008-05-04 | Release date: | 2008-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a potent and selective aurora kinase inhibitor. Bioorg.Med.Chem.Lett., 18, 2008
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3D15
| Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-(3-chloro-phenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)- ethyl]-thiazol-2-yl}-urea [SNS-314] | Descriptor: | 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea, serine/threonine kinase 6 | Authors: | Elling, R.A, Bui, M, Allen, D.A, Oslob, J.D, Romanowski, M.J. | Deposit date: | 2008-05-04 | Release date: | 2009-05-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of a potent and selective aurora kinase inhibitor. Bioorg.Med.Chem.Lett., 18, 2008
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