3L17
 
 | | Discovery of (thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer | | Descriptor: | 4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Murray, J.M, Wiesmann, C. | | Deposit date: | 2009-12-10 | | Release date: | 2010-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer.
J.Med.Chem., 53, 2010
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3L13
 | | Crystal Structures of Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors | | Descriptor: | Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, [3-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]methanol | | Authors: | Murray, J.M, Wiesmann, C. | | Deposit date: | 2009-12-10 | | Release date: | 2010-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer.
J.Med.Chem., 53, 2010
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4V7O
 | | Proteasome Activator Complex | | Descriptor: | Proteasome activator BLM10, Proteasome component C1, Proteasome component C11, ... | | Authors: | Hill, C.P, Whitby, F.G. | | Deposit date: | 2009-12-22 | | Release date: | 2014-07-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.005 Å) | | Cite: | Structure of a Blm10 complex reveals common mechanisms for proteasome binding and gate opening.
Mol.Cell, 37, 2010
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3L95
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3LD8
 | | Structure of JMJD6 and Fab Fragments | | Descriptor: | Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, GLYCEROL, ... | | Authors: | Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G. | | Deposit date: | 2010-01-12 | | Release date: | 2010-08-04 | | Last modified: | 2012-06-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Interaction of JMJD6 with single-stranded RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3LDB
 | | Structure of JMJD6 complexd with ALPHA-KETOGLUTARATE and Fab Fragment. | | Descriptor: | 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, ... | | Authors: | Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G. | | Deposit date: | 2010-01-12 | | Release date: | 2010-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Interaction of JMJD6 with single-stranded RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
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2RQX
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2X38
 | | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with IC87114. | | Descriptor: | 2-[(6-AMINO-9H-PURIN-9-YL)METHYL]-5-METHYL-3-(2-METHYLPHENYL)QUINAZOLIN-4(3H)-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | | Deposit date: | 2010-01-22 | | Release date: | 2010-02-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors
Nat.Chem.Biol., 6, 2010
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3LOM
 | | CRYSTAL STRUCTURE OF GERANYLTRANSFERASE FROM Legionella pneumophila | | Descriptor: | Geranyltranstransferase, PHOSPHATE ION | | Authors: | Patskovsky, Y, Toro, R, Rutter, M, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-02-04 | | Release date: | 2010-02-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3LON
 | | HCV NS3-4a protease domain with ketoamide inhibitor narlaprevir | | Descriptor: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, BETA-MERCAPTOETHANOL, Genome polyprotein, ... | | Authors: | Prongay, A.J. | | Deposit date: | 2010-02-04 | | Release date: | 2011-01-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Candidate selection and preclinical evaluation culminating in the discovery of Narlaprevir (SCH 900518): A potent, selective and orally efficacious second generation HCV NS3 serine protease inhibitor
To be Published
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3LOX
 | | HCV NS3-4a protease domain with a ketoamide inhibitor derivative of Boceprevir bound | | Descriptor: | (1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-N-[(1-methylcyclohexyl)c arbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, BETA-MERCAPTOETHANOL, HCV NS3 Protease, ... | | Authors: | Prongay, A.J. | | Deposit date: | 2010-02-04 | | Release date: | 2011-02-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The introduction of P4 substituted 1-methylcyclohexyl groups into Boceprevir: a change in direction in the search for a second generation HCV NS3 protease inhibitor.
Bioorg.Med.Chem.Lett., 20, 2010
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3IYM
 | | Backbone Trace of the Capsid Protein Dimer of a Fungal Partitivirus from Electron Cryomicroscopy and Homology Modeling | | Descriptor: | Capsid protein | | Authors: | Tang, J, Pan, J, Havens, W.F, Ochoa, W.F, Li, H, Sinkovits, R.S, Guu, T.S.Y, Ghabrial, S.A, Nibert, M.L, Tao, J.Y, Baker, T.S. | | Deposit date: | 2010-02-05 | | Release date: | 2010-07-28 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Backbone Trace of Partitivirus Capsid Protein from Electron Cryomicroscopy and Homology Modeling
Biophys.J., 99, 2010
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3LTN
 | | Inhibitor-stabilized topoisomerase IV-DNA cleavage complex (S. pneumoniae) | | Descriptor: | 3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione, 5'-D(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*TP*GP*TP*TP*TP*TP*A*CP*GP*TP*GP*CP*AP*T)-3', ... | | Authors: | Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2010-02-16 | | Release date: | 2010-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases
Plos One, 5, 2010
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3LVS
 | | Crystal structure of farnesyl diphosphate synthase from rhodobacter capsulatus sb1003 | | Descriptor: | FARNESYL DIPHOSPHATE SYNTHASE, GLYCEROL, PHOSPHATE ION | | Authors: | Patskovsky, Y, Toro, R, Rutter, M, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-02-22 | | Release date: | 2010-03-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3LWE
 | | The crystal structure of MPP8 | | Descriptor: | M-phase phosphoprotein 8 | | Authors: | Li, Z, Li, Z, Ruan, J, Xu, C, Tong, Y, Pan, P.W, Tempel, W, Crombet, L, Min, J, Zang, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-02-23 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis for specific binding of human MPP8 chromodomain to histone H3 methylated at lysine 9.
Plos One, 6, 2011
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3LX2
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3LX1
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3LXN
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3LXP
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3LXK
 | | Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with CP-690550 and CMP-6 | | Descriptor: | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Tyrosine-protein kinase JAK3 | | Authors: | Chrencik, J.E, Patny, A, Leung, I.K, Korniski, B, Emmons, T.L, Benson, T.E. | | Deposit date: | 2010-02-25 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with CP-690550 and CMP-6.
J.Mol.Biol., 400, 2010
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3LXL
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2X81
 | | STRUCTURE OF AURORA A IN COMPLEX WITH MLN8054 | | Descriptor: | 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID, SERINE/THREONINE-PROTEIN KINASE 6 | | Authors: | Savory, W, Mueller, I, Mason, C.S, Lamers, M, Williams, D.H, Eyers, P.A. | | Deposit date: | 2010-03-05 | | Release date: | 2010-05-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Drug-Resistant Aurora a Mutants for Cellular Target Validation of the Small Molecule Kinase Inhibitors Mln8054 and Mln8237.
Acs Chem.Biol., 5, 2010
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3MAC
 | | crystal structure of GP41-derived protein complexed with fab 8062 | | Descriptor: | Fab8062, Transmembrane glycoprotein | | Authors: | Li, M, Gustchina, E, Louis, J, Gustchina, A, Wlodawer, A, Clore, M. | | Deposit date: | 2010-03-23 | | Release date: | 2010-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis of HIV-1 Neutralization by Affinity Matured Fabs Directed against the Internal Trimeric Coiled-Coil of gp41.
Plos Pathog., 6, 2010
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3MA9
 | | Crystal structure of gp41 derived protein complexed with fab 8066 | | Descriptor: | Fab8066 FAB ANTIBODY FRAGMENT, Heavy Chain, Light Chain, ... | | Authors: | Li, M, Gustchina, E, Louis, J, Gustchina, A, Wlodawer, A, Clore, M. | | Deposit date: | 2010-03-23 | | Release date: | 2010-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Basis of HIV-1 Neutralization by Affinity Matured Fabs Directed against the Internal Trimeric Coiled-Coil of gp41.
Plos Pathog., 6, 2010
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2XA4
 | | Inhibitors of Jak2 Kinase domain | | Descriptor: | 5-CHLORO-N2-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHYL]-N4-(5-METHYL-1H-PYRAZOL-3-YL)PYRIMIDINE-2,4-DIAMINE, TYROSINE-PROTEIN KINASE JAK2 | | Authors: | Read, J, Green, I, Pollard, H, Howard, T, Mott, R. | | Deposit date: | 2010-03-26 | | Release date: | 2010-12-15 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Discovery of 5-Chloro-N2-[(1S)-1-(5-Fluoropyrimidin-2-Yl) Ethyl]-N4-(5-Methyl-1H-Pyrazol-3-Yl)Pyrimidine-2,4-Diamine (Azd1480) as a Novel Inhibitor of the Jak/Stat Pathway
J.Med.Chem., 54, 2011
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