2LLT
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![BU of 2llt by Molmil](/molmil-images/mine/2llt) | Post-translational S-nitrosylation is an endogenous factor fine-tuning human S100A1 protein properties | Descriptor: | Protein S100-A1 | Authors: | Lenarcic Zivkovic, M, Zareba-Koziol, M, Zhukova, L, Poznanski, J, Zhukov, I, Wyslouch-Cieszynska, A. | Deposit date: | 2011-11-17 | Release date: | 2012-09-26 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Post-translational S-Nitrosylation Is an Endogenous Factor Fine Tuning the Properties of Human S100A1 Protein. J.Biol.Chem., 287, 2012
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2WXP
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![BU of 2wxp by Molmil](/molmil-images/mine/2wxp) | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with GDC-0941. | Descriptor: | 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, 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: | 2009-11-09 | Release date: | 2010-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 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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1EJT
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![BU of 1ejt by Molmil](/molmil-images/mine/1ejt) | CRYSTAL STRUCTURE OF THE H219Q VARIANT OF KLEBSIELLA AEROGENES UREASE | Descriptor: | NICKEL (II) ION, UREASE ALPHA SUBUNIT, UREASE BETA SUBUNIT, ... | Authors: | Pearson, M.A, Park, I.S, Schaller, R.A, Michel, L.O, Karplus, P.A, Hausinger, R.P. | Deposit date: | 2000-03-04 | Release date: | 2000-09-08 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinetic and structural characterization of urease active site variants. Biochemistry, 39, 2000
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1ESW
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![BU of 1esw by Molmil](/molmil-images/mine/1esw) | X-RAY STRUCTURE OF ACARBOSE BOUND TO AMYLOMALTASE FROM THERMUS AQUATICUS. IMPLICATIONS FOR THE SYNTHESIS OF LARGE CYCLIC GLUCANS | Descriptor: | 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, AMYLOMALTASE | Authors: | Przylas, I, Terada, Y, Fujii, K, Takaha, T, Saenger, W, Straeter, N. | Deposit date: | 2000-04-11 | Release date: | 2001-04-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray structure of acarbose bound to amylomaltase from Thermus aquaticus. Implications for the synthesis of large cyclic glucans. Eur.J.Biochem., 267, 2000
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2LT7
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![BU of 2lt7 by Molmil](/molmil-images/mine/2lt7) | Solution NMR structure of Kaiso zinc finger DNA binding domain in complex with Kaiso binding site DNA | Descriptor: | DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*GP*GP*AP*AP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), Transcriptional regulator Kaiso, ... | Authors: | Buck-Koehntop, B.A, Stanfield, R.L, Ekiert, D.C, Martinez-Yamout, M.A, Dyson, H, Wilson, I.A, Wright, P.E. | Deposit date: | 2012-05-15 | Release date: | 2012-09-05 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Molecular basis for recognition of methylated and specific DNA sequences by the zinc finger protein Kaiso. Proc.Natl.Acad.Sci.USA, 109, 2012
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1EVU
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![BU of 1evu by Molmil](/molmil-images/mine/1evu) | HUMAN FACTOR XIII WITH CALCIUM BOUND IN THE ION SITE | Descriptor: | CALCIUM ION, COAGULATION FACTOR XIII, S-1,2-PROPANEDIOL | Authors: | Garzon, R.J, Pratt, K.P, Bishop, P.D, Le Trong, I, Stenkamp, R.E, Teller, D.C. | Deposit date: | 2000-04-20 | Release date: | 2000-05-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Tryptophan 279 is Essential for the Transglutaminase Activity of Coagulation Factor XIII: Functional and Structural Characterization To Be Published
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2LAA
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![BU of 2laa by Molmil](/molmil-images/mine/2laa) | |
1E5U
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![BU of 1e5u by Molmil](/molmil-images/mine/1e5u) | NMR Representative Structure of Intimin-190 (Int190) from Enteropathogenic E. coli | Descriptor: | INTIMIN | Authors: | Prasannan, S, Matthews, S.J, Batchelor, M, Daniell, S, Reece, S, Frankel, G, Dougan, G, Connerton, I, Bloomberg, G. | Deposit date: | 2000-08-02 | Release date: | 2000-08-16 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Structural Basis for Recognition of the Translocated Intimin Receptor (Tir) by Intimin from Enteropathogenic E. Coli Embo J., 19, 2000
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2WXR
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![BU of 2wxr by Molmil](/molmil-images/mine/2wxr) | The crystal structure of the murine class IA PI 3-kinase p110delta. | Descriptor: | 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: | 2009-11-09 | Release date: | 2010-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 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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3UBJ
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![BU of 3ubj by Molmil](/molmil-images/mine/3ubj) | Influenza hemagglutinin from the 2009 pandemic in complex with ligand LSTa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | Authors: | Xu, R, Wilson, I.A. | Deposit date: | 2011-10-24 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Characterization of the Hemagglutinin Receptor Specificity from the 2009 H1N1 Influenza Pandemic. J.Virol., 86, 2012
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2PMK
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![BU of 2pmk by Molmil](/molmil-images/mine/2pmk) | Crystal structures of an isolated ABC-ATPase in complex with TNP-ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein hlyB, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE | Authors: | Oswald, C, Jenewein, S, Holland, I.B, Schmitt, L. | Deposit date: | 2007-04-23 | Release date: | 2008-02-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Water-mediated protein-fluorophore interactions modulate the affinity of an ABC-ATPase/TNP-ADP complex J.Struct.Biol., 162, 2008
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2WXG
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![BU of 2wxg by Molmil](/molmil-images/mine/2wxg) | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with SW13. | Descriptor: | 2-{[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-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: | 2009-11-09 | Release date: | 2010-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (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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2X0C
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![BU of 2x0c by Molmil](/molmil-images/mine/2x0c) | Crystal Structure of the R7R8 domains of Talin | Descriptor: | TALIN-1 | Authors: | Gingras, A.R, Goult, B.T, Bate, N, Barsukov, I.L, Emsley, J, Critchely, D.R. | Deposit date: | 2009-12-08 | Release date: | 2010-07-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Central Region of Talin Has a Unique Fold that Binds Vinculin and Actin. J.Biol.Chem., 285, 2010
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3TPL
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![BU of 3tpl by Molmil](/molmil-images/mine/3tpl) | APO Structure of BACE1 | Descriptor: | Beta-secretase 1, CHLORIDE ION, SULFATE ION | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | Deposit date: | 2011-09-08 | Release date: | 2011-11-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations Acta Crystallogr.,Sect.D, 68, 2012
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2PGL
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![BU of 2pgl by Molmil](/molmil-images/mine/2pgl) | Catalysis associated conformational changes revealed by human CD38 complexed with a non-hydrolyzable substrate analog | Descriptor: | ADP-ribosyl cyclase 1, N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE | Authors: | Liu, Q, Kriksunov, I.A, Moreau, C, Graeff, R, Potter, B.V.L, Lee, H.C, Hao, Q. | Deposit date: | 2007-04-09 | Release date: | 2007-04-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Catalysis-associated Conformational Changes Revealed by Human CD38 Complexed with a Non-hydrolyzable Substrate Analog J.Biol.Chem., 282, 2007
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2WI1
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![BU of 2wi1 by Molmil](/molmil-images/mine/2wi1) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | Descriptor: | 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | Deposit date: | 2009-05-08 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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2WI5
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![BU of 2wi5 by Molmil](/molmil-images/mine/2wi5) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | Descriptor: | 3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | Deposit date: | 2009-05-08 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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2WI3
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![BU of 2wi3 by Molmil](/molmil-images/mine/2wi3) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | Descriptor: | 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, HEAT SHOCK PROTEIN, HSP 90-ALPHA, ... | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | Deposit date: | 2009-05-08 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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2WI7
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![BU of 2wi7 by Molmil](/molmil-images/mine/2wi7) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | Descriptor: | 2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | Deposit date: | 2009-05-08 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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1FSS
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![BU of 1fss by Molmil](/molmil-images/mine/1fss) | ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH FASCICULIN-II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, FASCICULIN II, ... | Authors: | Harel, M, Kleywegt, G.J, Silman, I, Sussman, J.L. | Deposit date: | 1995-10-25 | Release date: | 1996-03-08 | Last modified: | 2021-06-02 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of an acetylcholinesterase-fasciculin complex: interaction of a three-fingered toxin from snake venom with its target. Structure, 3, 1995
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2WOS
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![BU of 2wos by Molmil](/molmil-images/mine/2wos) | Structure of human S100A7 in complex with 2,6 ANS | Descriptor: | 6-[(1E)-CYCLOHEXA-2,4-DIEN-1-YLIDENEAMINO]NAPHTHALENE-2-SULFONATE, CALCIUM ION, PROTEIN S100-A7, ... | Authors: | Leon, R, Murray, J.I, Cragg, G, Farnell, B, Pace, T.C, Bohne, C, Boulanger, M.J, Hof, F. | Deposit date: | 2009-07-27 | Release date: | 2009-10-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification and Characterization of Binding Sites on S100A7, a Participant in Cancer and Inflammation Pathways. Biochemistry, 48, 2009
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2WI4
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![BU of 2wi4 by Molmil](/molmil-images/mine/2wi4) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | Descriptor: | 4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine, HEAT SHOCK PROTEIN, HSP 90-ALPHA | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | Deposit date: | 2009-05-08 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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2L7A
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![BU of 2l7a by Molmil](/molmil-images/mine/2l7a) | Solution Structure of the R3 Domain of Talin | Descriptor: | Talin-1 | Authors: | Goult, B.T, Gingras, A.R, Bate, N, Roberts, G.C.K, Barsukov, I.L, Critchley, D.R. | Deposit date: | 2010-12-06 | Release date: | 2011-12-21 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | RIAM and vinculin binding to talin are mutually exclusive and regulate adhesion assembly and turnover. J.Biol.Chem., 288, 2013
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2LON
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![BU of 2lon by Molmil](/molmil-images/mine/2lon) | |
2X38
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![BU of 2x38 by Molmil](/molmil-images/mine/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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