6GN2
 
 | | Racemic crystal structure of A-DNA duplex formed from d(CCCGGG) in space group R3 | | Descriptor: | DNA (5'-D(*CP*CP*CP*GP*GP*G)-3'), trimethylamine oxide | | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | | Deposit date: | 2018-05-29 | | Release date: | 2019-09-11 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Racemic crystal structures of A-DNA duplexes.
Acta Crystallogr D Struct Biol, 78, 2022
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1GXO
 | | Mutant D189A of Family 10 polysaccharide lyase from Cellvibrio cellulosa in complex with trigalaturonic acid | | Descriptor: | CALCIUM ION, PECTATE LYASE, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid | | Authors: | Charnock, S.J, Brown, I.E, Turkenburg, J.P, Black, G.W, Davies, G.J. | | Deposit date: | 2002-04-08 | | Release date: | 2002-10-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Convergent Evolution Sheds Light on the Anti-Beta-Elimination Mechanism Common to Family 1 and 10 Polysaccharide Lyases
Proc.Natl.Acad.Sci.USA, 99, 2002
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1H95
 | | Solution structure of the single-stranded DNA-binding Cold Shock Domain (CSD) of human Y-box protein 1 (YB1) determined by NMR (10 lowest energy structures) | | Descriptor: | Y-BOX BINDING PROTEIN | | Authors: | Kloks, C.P.A.M, Spronk, C.A.E.M, Hoffmann, A, Vuister, G.W, Grzesiek, S, Hilbers, C.W. | | Deposit date: | 2001-02-23 | | Release date: | 2002-02-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The Solution Structure and DNA-Binding Properties of the Cold-Shock Domain of the Human Y-Box Protein Yb-1.
J.Mol.Biol., 316, 2002
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6GN3
 | | Racemic crystal structure of A-DNA duplex formed from d(CCCGGG) in space group P21/n | | Descriptor: | CHLORIDE ION, COBALT (II) ION, DNA (5'-D(*CP*CP*CP*GP*GP*G)-3'), ... | | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | | Deposit date: | 2018-05-29 | | Release date: | 2019-09-11 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Racemic crystal structures of A-DNA duplexes.
Acta Crystallogr D Struct Biol, 78, 2022
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1B64
 | | SOLUTION STRUCTURE OF THE GUANINE NUCLEOTIDE EXCHANGE FACTOR DOMAIN FROM HUMAN ELONGATION FACTOR-ONE BETA, NMR, 20 STRUCTURES | | Descriptor: | ELONGATION FACTOR 1-BETA | | Authors: | Perez, J.M.J, Siegal, G, Kriek, J, Hard, K, Dijk, J, Canters, G.W, Moller, W. | | Deposit date: | 1999-01-20 | | Release date: | 1999-05-18 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The solution structure of the guanine nucleotide exchange domain of human elongation factor 1beta reveals a striking resemblance to that of EF-Ts from Escherichia coli.
Structure Fold.Des., 7, 1999
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1CLX
 | | CATALYTIC CORE OF XYLANASE A | | Descriptor: | CALCIUM ION, XYLANASE A | | Authors: | Harris, G.W, Jenkins, J.A, Connerton, I, Pickersgill, R.W. | | Deposit date: | 1995-08-31 | | Release date: | 1996-06-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Refined crystal structure of the catalytic domain of xylanase A from Pseudomonas fluorescens at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 52, 1996
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2VNY
 | | Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)amine | | Descriptor: | 1-(9H-purin-6-yl)piperidin-4-amine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
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2WDA
 | | The X-ray structure of the Streptomyces coelicolor A3 Chondroitin AC Lyase in Complex with Chondroitin sulphate | | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | | Authors: | Elmabrouk, Z.H, Taylor, E.J, Vincent, F, Smith, N.L, Turkenburg, J.P, Davies, G.J, Black, G.W. | | Deposit date: | 2009-03-23 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of a Family 8 Polysaccharide Lyase Reveal Open and Highly Occluded Substrate-Binding Cleft Conformations.
Proteins, 79, 2011
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2VYR
 | | Structure of human MDM4 N-terminal domain bound to a single domain antibody | | Descriptor: | HUMAN SINGLE DOMAIN ANTIBODY, MDM4 PROTEIN, SULFATE ION | | Authors: | Yu, G.W, Vaysburd, M, Allen, M.D, Settanni, G, Fersht, A.R. | | Deposit date: | 2008-07-28 | | Release date: | 2008-11-25 | | Last modified: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Human Mdm4 N-Terminal Domain Bound to a Single-Domain Antibody.
J.Mol.Biol., 385, 2009
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2WB3
 | | The partial structure of a group A streptococcal phage-encoded tail fibre hyaluronate lyase Hylp3 | | Descriptor: | HYALURONIDASE-PHAGE ASSOCIATED | | Authors: | Martinez-Fleites, C, Black, G.W, Turkenburg, J.P, Smith, N.L, Taylor, E.J. | | Deposit date: | 2009-02-20 | | Release date: | 2009-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of Two Truncated Phage-Tail Hyaluronate Lyases from Streptococcus Pyogenes Serotype M1.
Acta Crystallogr.,Sect.F, 65, 2009
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2UVY
 | | Structure of PKA-PKB chimera complexed with methyl-(4-(9H-purin-6-yl)- benzyl)-amine | | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, ... | | Authors: | Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I. | | Deposit date: | 2007-03-15 | | Release date: | 2007-05-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design
J.Med.Chem., 50, 2007
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2UVX
 | | Structure of PKA-PKB chimera complexed with 7-azaindole | | Descriptor: | 1H-PYRROLO[2,3-B]PYRIDINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I. | | Deposit date: | 2007-03-15 | | Release date: | 2007-05-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design
J.Med.Chem., 50, 2007
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2UW0
 | | Structure of PKA-PKB chimera complexed with 6-(4-(4-(4-Chloro-phenyl) -piperidin-4-yl)-phenyl)-9H-purine | | Descriptor: | 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I. | | Deposit date: | 2007-03-15 | | Release date: | 2007-05-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design
J.Med.Chem., 50, 2007
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2WMR
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
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2WDZ
 | | Crystal structure of the short chain dehydrogenase Galactitol- Dehydrogenase (GatDH) of Rhodobacter sphaeroides in complex with NAD+ and 1,2-Pentandiol | | Descriptor: | (2S)-pentane-1,2-diol, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Carius, Y, Christian, H, Faust, A, Kornberger, P, Kohring, G.W, Giffhorn, F, Scheidig, A.J. | | Deposit date: | 2009-03-27 | | Release date: | 2010-03-31 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Insight Into Substrate Differentiation of the Sugar-Metabolizing Enzyme Galactitol Dehydrogenase from Rhodobacter Sphaeroides D.
J.Biol.Chem., 285, 2010
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2VO0
 | | Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine, ... | | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
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2WCO
 | | Structures of the Streptomyces coelicolor A3(2) Hyaluronan Lyase in Complex with Oligosaccharide Substrates and an Inhibitor | | Descriptor: | 4-deoxy-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, GLYCEROL, ... | | Authors: | Elmabrouk, Z.H, Taylor, E.J, Vincent, F, Smith, N.L, Zhang, M, Charnock, S.J, Turkenburg, J.P, Davies, G.J, Black, G.W. | | Deposit date: | 2009-03-12 | | Release date: | 2010-08-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal Structures of a Family 8 Polysaccharide Lyase Reveal Open and Highly Occluded Substrate-Binding Cleft Conformations.
Proteins, 79, 2011
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2XEZ
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 6-(1H-PYRAZOL-3-YL)-3-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, vanMontfort, R, Garrett, M.D, Reader, J.C, Collins, I. | | Deposit date: | 2010-05-19 | | Release date: | 2010-07-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
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2XEY
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I. | | Deposit date: | 2010-05-19 | | Release date: | 2010-06-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
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2VE6
 | | Crystal structure of a Murine MHC class I H2-Db molecule in complex with a photocleavable peptide | | Descriptor: | BETA-2-MICROGLOBULIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN D-B ALPHA CHAIN, SENDAI VIRUS EPITOPE RESIDUES 324-332 MODIFIED AT P7 | | Authors: | Grotenbreg, G.M, Roan, N.R, Guillen, E, Meijers, R, Wang, J.H, Bell, G.W, Starnbach, M.N, Ploegh, H.L. | | Deposit date: | 2007-10-17 | | Release date: | 2008-01-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of Cd8+ T Cell Epitopes in Chlamydia Trachomatis Infection Through Use of Caged Class I Mhc Tetramers.
Proc.Natl.Acad.Sci.USA, 105, 2008
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2XF0
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I. | | Deposit date: | 2010-05-19 | | Release date: | 2010-06-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
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2WMX
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
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2WTD
 | | Crystal structure of Chk2 in complex with an inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-[2-AMINO-5-(1,3-BENZODIOXOL-4-YL)PYRIDIN-3-YL]BENZAMIDE, NITRATE ION, ... | | Authors: | Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I. | | Deposit date: | 2009-09-15 | | Release date: | 2009-12-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2
Bioorg.Med.Chem., 18, 2010
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2WMS
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | SERINE/THREONINE-PROTEIN KINASE CHK1, [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone | | Authors: | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
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2X39
 | | Structure of 4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin- 4-yl)piperidine-4-carboxamide bound to PKB | | Descriptor: | 4-AMINO-N-(4-CHLOROBENZYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA, RAC-BETA SERINE/THREONINE-PROTEIN KINASE | | Authors: | Davies, T.G, McHardy, T, Caldwell, J.J, Cheung, K.M, Hunter, L.J, Taylor, K, Rowlands, M, Ruddle, R, Henley, A, Brandon, A.D, Valenti, M, Fazal, L, Seavers, L, Raynaud, F.I, Eccles, S.A, Aherne, G.W, Garrett, M.D, Collins, I. | | Deposit date: | 2010-01-22 | | Release date: | 2010-02-23 | | Last modified: | 2011-09-21 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Discovery of 4-Amino-1-(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Piperidine-4-Carboxamides as Selective, Orally Active Inhibitors of Protein Kinase B (Akt).
J.Med.Chem., 53, 2010
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