2XPU
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![BU of 2xpu by Molmil](/molmil-images/mine/2xpu) | TetR(D) in complex with anhydrotetracycline. | Descriptor: | 5A,6-ANHYDROTETRACYCLINE, CHLORIDE ION, SULFATE ION, ... | Authors: | Dalm, D, Palm, G.J, Hinrichs, W. | Deposit date: | 2010-08-30 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition. Biochemistry, 53, 2014
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1PZR
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![BU of 1pzr by Molmil](/molmil-images/mine/1pzr) | Structure of fused docking domains from the erythromycin polyketide synthase (DEBS), a model for the interaction between DEBS2 and DEBS3: the B domain | Descriptor: | Erythronolide synthase | Authors: | Broadhurst, R.W, Nietlispach, D, Wheatcroft, M.P, Leadlay, P.F, Weissman, K.J. | Deposit date: | 2003-07-14 | Release date: | 2004-02-24 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The structure of docking domains in modular polyketide synthases. Chem.Biol., 10, 2003
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2XR1
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![BU of 2xr1 by Molmil](/molmil-images/mine/2xr1) | DIMERIC ARCHAEAL CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR WITH N-TERMINAL KH DOMAINS (KH-CPSF) FROM METHANOSARCINA MAZEI | Descriptor: | CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR 100 KD SUBUNIT, ZINC ION | Authors: | Mir-Montazeri, B, Ammelburg, M, Forouzan, D, Lupas, A.N, Hartmann, M.D. | Deposit date: | 2010-09-08 | Release date: | 2010-10-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal Structure of a Dimeric Archaeal Cleavage and Polyadenylation Specificity Factor. J.Struct.Biol., 173, 2011
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4KMF
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1PQK
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![BU of 1pqk by Molmil](/molmil-images/mine/1pqk) | Repacking of the Core of T4 Lysozyme by Automated Design | Descriptor: | Lysozyme | Authors: | Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. | Deposit date: | 2003-06-18 | Release date: | 2003-10-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Repacking the Core of T4 Lysozyme by Automated Design J.Mol.Biol., 332, 2003
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2XVR
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![BU of 2xvr by Molmil](/molmil-images/mine/2xvr) | Phage T7 empty mature head shell | Descriptor: | MAJOR CAPSID PROTEIN 10A | Authors: | Ionel, A, Velazquez-Muriel, J.A, Luque, D, Cuervo, A, Caston, J.R, Valpuesta, J.M, Martin-Benito, J, Carrascosa, J.L. | Deposit date: | 2010-10-28 | Release date: | 2010-12-01 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (10.8 Å) | Cite: | Molecular Rearrangements Involved in the Capsid Shell Maturation of Bacteriophage T7. J.Biol.Chem., 286, 2011
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2GNF
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![BU of 2gnf by Molmil](/molmil-images/mine/2gnf) | Protein kinase A fivefold mutant model of Rho-kinase with Y-27632 | Descriptor: | (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ... | Authors: | Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D. | Deposit date: | 2006-04-10 | Release date: | 2006-05-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity J.Biol.Chem., 281, 2006
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2XWJ
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![BU of 2xwj by Molmil](/molmil-images/mine/2xwj) | Crystal Structure of Complement C3b in Complex with Factor B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3 ALPHA CHAIN, COMPLEMENT C3 BETA CHAIN, ... | Authors: | Forneris, F, Ricklin, D, Wu, J, Tzekou, A, Wallace, R.S, Lambris, J.D, Gros, P. | Deposit date: | 2010-11-04 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structures of C3B in Complex with Factors B and D Give Insight Into Complement Convertase Formation. Science, 330, 2010
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1PZQ
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![BU of 1pzq by Molmil](/molmil-images/mine/1pzq) | Structure of fused docking domains from the erythromycin polyketide synthase (DEBS), a model for the interaction between DEBS 2 and DEBS 3: The A domain | Descriptor: | Erythronolide synthase | Authors: | Broadhurst, R.W, Nietlispach, D, Wheatcroft, M.P, Leadlay, P.F, Weissman, K.J. | Deposit date: | 2003-07-14 | Release date: | 2004-02-24 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The structure of docking domains in modular polyketide synthases. Chem.Biol., 10, 2003
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2Y37
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![BU of 2y37 by Molmil](/molmil-images/mine/2y37) | The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS) | Descriptor: | 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | Authors: | Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T.N, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V. | Deposit date: | 2010-12-19 | Release date: | 2011-04-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos). Bioorg.Med.Chem.Lett., 21, 2011
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1PO9
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![BU of 1po9 by Molmil](/molmil-images/mine/1po9) | Crytsal structure of isoaspartyl dipeptidase | Descriptor: | Isoaspartyl dipeptidase, ZINC ION | Authors: | Jozic, D, Kaiser, J.T, Huber, R, Bode, W, Maskos, K. | Deposit date: | 2003-06-15 | Release date: | 2004-06-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure of isoaspartyl dipeptidase from E.coli: a dinuclear zinc peptidase evolved from amidohydrolases. J.Mol.Biol., 332, 2003
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1PP9
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![BU of 1pp9 by Molmil](/molmil-images/mine/1pp9) | Bovine cytochrome bc1 complex with stigmatellin bound | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, AZIDE ION, CARDIOLIPIN, ... | Authors: | Huang, L.S, Cobessi, D, Tung, E.Y, Berry, E.A. | Deposit date: | 2003-06-16 | Release date: | 2004-07-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding of the Respiratory Chain Inhibitor Antimycin to the Mitochondrial bc(1) Complex: A New Crystal Structure Reveals an Altered Intramolecular Hydrogen-bonding Pattern. J.Mol.Biol., 351, 2005
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2XWB
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![BU of 2xwb by Molmil](/molmil-images/mine/2xwb) | Crystal Structure of Complement C3b in complex with Factors B and D | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3B ALPHA' CHAIN, ... | Authors: | Forneris, F, Ricklin, D, Wu, J, Tzekou, A, Wallace, R.S, Lambris, J.D, Gros, P. | Deposit date: | 2010-11-01 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | Structures of C3B in Complex with Factors B and D Give Insight Into Complement Convertase Formation. Science, 330, 2010
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2Y4I
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![BU of 2y4i by Molmil](/molmil-images/mine/2y4i) | KSR2-MEK1 heterodimer | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, ... | Authors: | Brennan, D.F, Barford, D. | Deposit date: | 2011-01-06 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.46 Å) | Cite: | A Raf-Induced Allosteric Transition of Ksr Stimulates Ksr and Raf Phosphorylation of Mek Nature, 472, 2011
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2GNG
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![BU of 2gng by Molmil](/molmil-images/mine/2gng) | Protein kinase A fivefold mutant model of Rho-kinase | Descriptor: | cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, alpha-catalytic subunit | Authors: | Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D. | Deposit date: | 2006-04-10 | Release date: | 2006-05-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity J.Biol.Chem., 281, 2006
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2XQS
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![BU of 2xqs by Molmil](/molmil-images/mine/2xqs) | Microscopic rotary mechanism of ion translocation in the Fo complex of ATP synthases | Descriptor: | ATP SYNTHASE C CHAIN, CYMAL-4 | Authors: | Pogoryelov, D, Krah, A, Langer, J, Yildiz, O, Faraldo-Gomez, J.D, Meier, T. | Deposit date: | 2010-09-07 | Release date: | 2010-10-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Microscopic Rotary Mechanism of Ion Translocation in the Fo Complex of ATP Synthases Nat.Chem.Biol., 6, 2010
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2XNI
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![BU of 2xni by Molmil](/molmil-images/mine/2xni) | Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates | Descriptor: | (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-), MAGNESIUM ION, NS3 PROTEASE, ... | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Zhou, Y, Li, Q, Plattner, J.J, Baker, S.J, Zhang, S, Kazmierski, W.M, Wright, L.L, Smith, G.K, Grimes, R.M, Crosby, R.M, Creech, K.L, Carballo, L.H, Slater, M.J, Jarvest, R.L, Thommes, P, Hubbard, J.A, Convery, M.A, Nassau, P.M, McDowell, W, Skarzynski, T.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, Pennicott, L.E, Zou, W, Wright, J. | Deposit date: | 2010-08-02 | Release date: | 2011-08-17 | Last modified: | 2012-09-26 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Novel Macrocyclic Hcv Ns3 Protease Inhibitors Derived from Alpha-Amino Cyclic Boronates. Bioorg.Med.Chem.Lett., 20, 2010
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1PT1
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![BU of 1pt1 by Molmil](/molmil-images/mine/1pt1) | Unprocessed Pyruvoyl Dependent Aspartate Decarboxylase with Histidine 11 Mutated to Alanine | Descriptor: | Aspartate 1-decarboxylase, SULFATE ION | Authors: | Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2003-06-22 | Release date: | 2003-11-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase Embo J., 22, 2003
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1PXP
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![BU of 1pxp by Molmil](/molmil-images/mine/1pxp) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-N',N'-dimethyl-benzene-1,4-diamine | Descriptor: | Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2003-07-04 | Release date: | 2004-04-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. J.Med.Chem., 47, 2004
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2XQJ
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![BU of 2xqj by Molmil](/molmil-images/mine/2xqj) | X-ray Structure of human butyrylcholinesterase inhibited by pure enantiomer VX-(R) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wandhammer, M, Carletti, E, Gillon, E, Masson, P, Goeldner, M, Noort, D, Nachon, F. | Deposit date: | 2010-09-02 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Study of the Complex Stereoselectivity of Human Butyrylcholinesterase for the Neurotoxic V-Agents. J.Biol.Chem., 286, 2011
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2XQ3
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![BU of 2xq3 by Molmil](/molmil-images/mine/2xq3) | Pentameric ligand gated ion channel GLIC in complex with Br-lidocaine | Descriptor: | BROMIDE ION, GLR4197 PROTEIN | Authors: | Hilf, R.J.C, Bertozzi, C, Zimmermann, I, Reiter, A, Trauner, D, Dutzler, R. | Deposit date: | 2010-09-01 | Release date: | 2010-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural Basis of Open Channel Block in a Prokaryotic Pentameric Ligand-Gated Ion Channel Nat.Struct.Mol.Biol., 17, 2010
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1PXY
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![BU of 1pxy by Molmil](/molmil-images/mine/1pxy) | Crystal structure of the actin-crosslinking core of Arabidopsis fimbrin | Descriptor: | fimbrin-like protein | Authors: | Klein, M.G, Shi, W, Tseng, Y, Wirtz, D, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2003-07-07 | Release date: | 2004-06-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the actin crosslinking core of fimbrin. Structure, 12, 2004
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2Y5C
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![BU of 2y5c by Molmil](/molmil-images/mine/2y5c) | Structure of human ferredoxin 2 (Fdx2)in complex with 2Fe2S cluster | Descriptor: | ADRENODOXIN-LIKE PROTEIN, MITOCHONDRIAL, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Webert, H, Hobler, A, Sheftel, A.D, Molik, S, Maestre-Reyna, M, Essen, L.-O, Vorniscescu, D, Keusgen, M, Hannemann, F, Bernhardt, R, Lill, R. | Deposit date: | 2011-01-12 | Release date: | 2012-02-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and Functional Studies on Human Mitochondrial Ferredoxins To be Published
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2XYY
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![BU of 2xyy by Molmil](/molmil-images/mine/2xyy) | De Novo model of Bacteriophage P22 procapsid coat protein | Descriptor: | COAT PROTEIN | Authors: | Chen, D.-H, Baker, M.L, Hryc, C.F, DiMaio, F, Jakana, J, Wu, W, Dougherty, M, Haase-Pettingell, C, Schmid, M.F, Jiang, W, Baker, D, King, J.A, Chiu, W. | Deposit date: | 2010-11-19 | Release date: | 2011-02-02 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural Basis for Scaffolding-Mediated Assembly and Maturation of a DsDNA Virus. Proc.Natl.Acad.Sci.USA, 108, 2011
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4HFR
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![BU of 4hfr by Molmil](/molmil-images/mine/4hfr) | Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with an orally bioavailable acidic inhibitor AZD4017. | Descriptor: | Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid | Authors: | Ogg, D.J, Gerhardt, S, Hargreaves, D. | Deposit date: | 2012-10-05 | Release date: | 2012-10-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Discovery of a Potent, Selective, and Orally Bioavailable Acidic 11 -Hydroxysteroid Dehydrogenase Type 1 (11 -HSD1) Inhibitor: Discovery of 2-[(3S)-1-[5-(Cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic Acid (AZD4017) J.Med.Chem., 55, 2012
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