2YOY
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![BU of 2yoy by Molmil](/molmil-images/mine/2yoy) | Bacillus amyloliquefaciens CBM33 in complex with Cu(I) reduced using ascorbate | Descriptor: | 1,2-ETHANEDIOL, COPPER (I) ION, RBAM17540 | Authors: | Hemsworth, G.R, Taylor, E.J, Kim, R.Q, Lewis, S.J, Turkenburg, J.P, Davies, G.J, Walton, P.H. | Deposit date: | 2012-10-29 | Release date: | 2013-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Copper Active Site of Cbm33 Polysaccharide Oxygenases. J.Am.Chem.Soc., 135, 2013
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2YGP
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![BU of 2ygp by Molmil](/molmil-images/mine/2ygp) | WIF domain-EGF-like domain 1 Met77Trp of human Wnt inhibitory factor 1 in complex with 1,2-dipalmitoylphosphatidylcholine | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Malinauskas, T, Aricescu, A.R, Lu, W, Siebold, C, Jones, E.Y. | Deposit date: | 2011-04-19 | Release date: | 2011-07-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.222 Å) | Cite: | Modular Mechanism of Wnt Signaling Inhibition by Wnt Inhibitory Factor 1 Nat.Struct.Mol.Biol., 18, 2011
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2YI1
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![BU of 2yi1 by Molmil](/molmil-images/mine/2yi1) | Crystal structure of N-Acetylmannosamine kinase in complex with N- acetyl mannosamine 6-phosphate and ADP. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose, 2-acetamido-2-deoxy-alpha-D-mannopyranose, ... | Authors: | Martinez, J, Nguyen, L.D, Tauberger, E, Hinderlich, S, Reutter, W, Fan, H, Saenger, W, Moniot, S. | Deposit date: | 2011-05-10 | Release date: | 2012-02-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structures of N-Acetylmannosamine Kinase Provide Insights Into Enzyme Specificity and Inhibition J.Biol.Chem., 287, 2012
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2YLT
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![BU of 2ylt by Molmil](/molmil-images/mine/2ylt) | SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: COMPLEX WITH NADP and MES | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A. | Deposit date: | 2011-06-06 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization. J.Biol.Chem., 286, 2011
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2Y64
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![BU of 2y64 by Molmil](/molmil-images/mine/2y64) | Xylopentaose binding mutated (X-2 L110F) CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase | Descriptor: | CALCIUM ION, XYLANASE, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M. | Deposit date: | 2011-01-19 | Release date: | 2012-03-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules. Glycobiology, 22, 2012
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2YOO
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![BU of 2yoo by Molmil](/molmil-images/mine/2yoo) | Cholest-4-en-3-one bound structure of CYP142 from Mycobacterium smegmatis | Descriptor: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, MAGNESIUM ION, P450 HEME-THIOLATE PROTEIN, ... | Authors: | Garcia-Fernandez, E, Frank, D.J, Galan, B, Kells, P.M, Podust, L.M, Garcia, J.L, Ortiz de Montellano, P.R. | Deposit date: | 2012-10-25 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway. Environ.Microbiol., 15, 2013
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2YP4
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![BU of 2yp4 by Molmil](/molmil-images/mine/2yp4) | Haemagglutinin of 2004 Human H3N2 Virus in Complex with Human Receptor Analogue LSTc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEMAGGLUTININ, ... | Authors: | Xiong, X, Lin, Y.P, Wharton, S.A, Martin, S.R, Coombs, P.J, Vachieri, S.G, Christodoulou, E, Walker, P.A, Liu, J, Skehel, J.J, Gamblin, S.J, Hay, A.J, Daniels, R.S, McCauley, J.W. | Deposit date: | 2012-10-29 | Release date: | 2012-11-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Evolution of the Receptor Binding Properties of the Influenza A(H3N2) Hemagglutinin. Proc.Natl.Acad.Sci.USA, 109, 2012
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2YIH
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![BU of 2yih by Molmil](/molmil-images/mine/2yih) | Structure of a Paenibacillus polymyxa Xyloglucanase from GH family 44 with Xyloglucan | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CEL44C, ... | Authors: | Ariza, A, Eklof, J.M, Spadiut, O, Offen, W.A, Roberts, S.M, Besenmatter, W, Friis, E.P, Skjot, M, Wilson, K.S, Brumer, H, Davies, G. | Deposit date: | 2011-05-13 | Release date: | 2011-06-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and Activity of Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44. J.Biol.Chem., 286, 2011
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2YKM
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![BU of 2ykm by Molmil](/molmil-images/mine/2ykm) | Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with a Difluoromethylbenzoxazole (DFMB) Pyrimidine Thioether derivative, a non-nucleoside RT inhibitor (NNRTI) | Descriptor: | 2-[DIFLUORO-[(4-METHYL-PYRIMIDINYL)-THIO]METHYL]-BENZOXAZOLE, CALCIUM ION, REVERSE TRANSCRIPTASE/RIBONUCLEASE H | Authors: | Boyer, J, Arnoult, E, Medebielle, M, Guillemont, J, Unge, T, Unge, J, Jochmans, D. | Deposit date: | 2011-05-28 | Release date: | 2011-08-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Difluoromethylbenzoxazole Pyrimidine Thioether Derivatives: A Novel Class of Potent Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors. J.Med.Chem., 54, 2011
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2YFU
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![BU of 2yfu by Molmil](/molmil-images/mine/2yfu) | CBM62 FROM CLOSTRIDIUM THERMOCELLUM XYL5A | Descriptor: | CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL | Authors: | Montanier, C.Y, Correia, M.A.S, Flint, J.E, Zhu, Y, Basle, A, Mckee, L.S, Prates, J.A.M, Polizzi, S.J, Coutinho, P.M, Henrissat, B, Fontes, C.M.G.A, Gilbert, H.J. | Deposit date: | 2011-04-08 | Release date: | 2011-05-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Novel, Noncatalytic Carbohydrate-Binding Module Displays Specificity for Galactose-Containing Polysaccharides Through Calcium-Mediated Oligomerization. J.Biol.Chem., 286, 2011
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7M2Y
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![BU of 7m2y by Molmil](/molmil-images/mine/7m2y) | Closed conformation of the Yeast wild-type gamma-TuRC | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Spindle pole body component 110, Spindle pole body component SPC97, ... | Authors: | Brilot, A.F, Lyon, A.S, Zelter, A, Viswanath, S, Maxwell, A, MacCoss, M.J, Muller, E.G, Sali, A, Davis, T.N, Agard, D.A. | Deposit date: | 2021-03-17 | Release date: | 2021-05-12 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.03 Å) | Cite: | CM1-driven assembly and activation of yeast gamma-tubulin small complex underlies microtubule nucleation. Elife, 10, 2021
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2YIX
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![BU of 2yix by Molmil](/molmil-images/mine/2yix) | Triazolopyridine Inhibitors of p38 | Descriptor: | 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Han, s, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthawaite, R.A, Mahke, A, Marr, E, Mathias, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniak, M.H, Yeadon, M. | Deposit date: | 2011-05-17 | Release date: | 2011-11-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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7M2X
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![BU of 7m2x by Molmil](/molmil-images/mine/7m2x) | Open conformation of the Yeast wild-type gamma-TuRC | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Spindle pole body component 110, Spindle pole body component SPC97, ... | Authors: | Brilot, A.F, Lyon, A.S, Zelter, A, Viswanath, S, Maxwell, A, MacCoss, M.J, Muller, E.G, Sali, A, Davis, T.N, Agard, D.A. | Deposit date: | 2021-03-17 | Release date: | 2021-05-12 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | CM1-driven assembly and activation of yeast gamma-tubulin small complex underlies microtubule nucleation. Elife, 10, 2021
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7M2Z
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![BU of 7m2z by Molmil](/molmil-images/mine/7m2z) | Monomeric single-particle reconstruction of the Yeast gamma-TuSC | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Spindle pole body component SPC97, Spindle pole body component SPC98, ... | Authors: | Brilot, A.F, Lyon, A.S, Zelter, A, Viswanath, S, Maxwell, A, MacCoss, M.J, Muller, E.G, Sali, A, Davis, T.N, Agard, D.A. | Deposit date: | 2021-03-17 | Release date: | 2021-05-12 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | CM1-driven assembly and activation of yeast gamma-tubulin small complex underlies microtubule nucleation. Elife, 10, 2021
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2YLX
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![BU of 2ylx by Molmil](/molmil-images/mine/2ylx) | SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: Asp66Ala MUTANT IN COMPLEX WITH NADP AND MES | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A. | Deposit date: | 2011-06-06 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization. J.Biol.Chem., 286, 2011
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6L5U
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![BU of 6l5u by Molmil](/molmil-images/mine/6l5u) | |
6L7J
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![BU of 6l7j by Molmil](/molmil-images/mine/6l7j) | Quinolone synthase (QNS) from Aegle marmelos Correa., complexed with Coenzyme A | Descriptor: | COENZYME A, Type III polyketide synthase | Authors: | Mallika, V, Abhinav, K.V, Frandsen, K.E.H, Soniya, E.V. | Deposit date: | 2019-11-01 | Release date: | 2020-11-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and mechanistic insights into Quinolone Synthase to address its functional promiscuity Commun Biol, 2024
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5DJE
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![BU of 5dje by Molmil](/molmil-images/mine/5dje) | Crystal structure of the zuotin homology domain (ZHD) from yeast Zuo1 | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Shrestha, O.K, Bingman, C.A, Craig, E.A. | Deposit date: | 2015-09-02 | Release date: | 2016-09-28 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Dual interaction of the Hsp70 J-protein cochaperone Zuotin with the 40S and 60S ribosomal subunits. Nat.Struct.Mol.Biol., 23, 2016
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6QF3
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![BU of 6qf3 by Molmil](/molmil-images/mine/6qf3) | X-Ray structure of Thermolysin soaked with sodium aspartate on a silicon chip | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ASPARTIC ACID, ... | Authors: | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | Deposit date: | 2019-01-09 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies. Iucrj, 6, 2019
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6QDI
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![BU of 6qdi by Molmil](/molmil-images/mine/6qdi) | anti-sigma factor domain-containing protein from Clostridium clariflavum | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PA14 domain-containing protein | Authors: | Voronov, M, Bayer, E.A, Livnah, O. | Deposit date: | 2019-01-01 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Distinctive ligand-binding specificities of tandem PA14 biomass-sensory elements from Clostridium thermocellum and Clostridium clariflavum. Proteins, 87, 2019
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6QL3
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![BU of 6ql3 by Molmil](/molmil-images/mine/6ql3) | Crystal structure of chimeric carbonic anhydrase VI with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | Descriptor: | 1,2-ETHANEDIOL, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BENZOIC ACID, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2019-01-31 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors. Sci Rep, 9, 2019
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5CS3
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![BU of 5cs3 by Molmil](/molmil-images/mine/5cs3) | The structure of the NK1 fragment of HGF/SF complexed with (H)EPPS | Descriptor: | 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, Hepatocyte growth factor | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | Deposit date: | 2015-07-23 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding. Chem Sci, 6, 2015
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5CYA
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![BU of 5cya by Molmil](/molmil-images/mine/5cya) | Crystal structure of Arl2 GTPase-activating protein tubulin cofactor C (TBCC) | Descriptor: | SULFATE ION, Tubulin-specific chaperone C | Authors: | Nithianantham, S, Le, S, Seto, E, Jia, W, Leary, J, Corbett, K.D, Moore, J.K, Al-Bassam, J. | Deposit date: | 2015-07-30 | Release date: | 2015-08-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tubulin cofactors and Arl2 are cage-like chaperones that regulate the soluble alpha beta-tubulin pool for microtubule dynamics. Elife, 4, 2015
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5CYS
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![BU of 5cys by Molmil](/molmil-images/mine/5cys) | |
4FAD
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![BU of 4fad by Molmil](/molmil-images/mine/4fad) | Design and Synthesis of a Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative as a Potent Inhibitor of PI3Ka and mTOR | Descriptor: | 2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Greasley, S.E, Knighton, D.R, LaFleur Rogers, C.M. | Deposit date: | 2012-05-22 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design and synthesis of a novel pyrrolidinyl pyrido pyrimidinone derivative as a potent inhibitor of PI3Kalpha and mTOR Bioorg.Med.Chem.Lett., 22, 2012
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