PDB: 161444 resultsInfo pagesStatus searchChemie searchBIRD

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5QNO	Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_15) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2020-07-22 Method: X-RAY DIFFRACTION (1.953 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QMI	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure F12_2) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2020-07-22 Method: X-RAY DIFFRACTION (1.671 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QO4	Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_32) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2020-07-22 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QN0	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure G6_2) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2020-07-22 Method: X-RAY DIFFRACTION (2.007 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QNI	Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2020-07-22 Method: X-RAY DIFFRACTION (1.967 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QNY	Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_24) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2020-07-22 Method: X-RAY DIFFRACTION (1.595 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QOF	Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_8) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2020-07-22 Method: X-RAY DIFFRACTION (1.637 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QND	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure H7_2) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2020-07-22 Method: X-RAY DIFFRACTION (1.899 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QNT	Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_2) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2020-07-22 Method: X-RAY DIFFRACTION (1.747 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QO9	Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_4) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2020-07-22 Method: X-RAY DIFFRACTION (1.59 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
3R9D	CDK2 in complex with inhibitor RC-2-135 Descriptor: 4-amino-N-(3-fluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2 Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2011-03-25 Release date: 2012-10-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
4DBU	Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid Descriptor: 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M. Deposit date: 2012-01-16 Release date: 2012-03-28 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.528 Å) Cite: Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer. Bioorg.Med.Chem.Lett., 22, 2012
3RNI	CDK2 in complex with inhibitor RC-3-86 Descriptor: 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide, Cyclin-dependent kinase 2 Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2011-04-22 Release date: 2012-10-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
3RAL	CDK2 in complex with inhibitor RC-2-34 Descriptor: 4-{[4-amino-5-(3-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2011-03-28 Release date: 2012-10-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
3FX4	Porcine aldehyde reductase in ternary complex with inhibitor Descriptor: Alcohol dehydrogenase [NADP+], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... Authors: Carbone, V, El-Kabbani, O. Deposit date: 2009-01-20 Release date: 2009-12-22 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Structure of aldehyde reductase in ternary complex with a 5-arylidene-2,4-thiazolidinedione aldose reductase inhibitor. Eur.J.Med.Chem., 45, 2010
3RAH	CDK2 in complex with inhibitor RC-2-22 Descriptor: Cyclin-dependent kinase 2, [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2011-03-28 Release date: 2012-10-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
1Y6B	Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor Descriptor: N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE, Vascular endothelial growth factor receptor 2 Authors: Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A. Deposit date: 2004-12-05 Release date: 2005-06-07 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors. J.Med.Chem., 48, 2005
5ZE6	CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH BPH-981 Descriptor: 2-hydroxy-6-(tetradecyloxy)benzoic acid, MAGNESIUM ION, Octaprenyl diphosphate synthase Authors: Han, X, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T. Deposit date: 2018-02-26 Release date: 2019-02-27 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis. J.Med.Chem., 62, 2019
3RPR	CDK2 in complex with inhibitor RC-2-49 Descriptor: Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl][3-(trifluoromethyl)phenyl]methanone Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2011-04-27 Release date: 2012-10-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
3RPY	CDK2 in complex with inhibitor RC-2-40 Descriptor: 4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2 Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2011-04-27 Release date: 2012-10-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
3RAK	CDK2 in complex with inhibitor RC-2-32 Descriptor: 4-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide, Cyclin-dependent kinase 2 Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2011-03-28 Release date: 2012-10-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
3AN3	Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO3S Descriptor: (2S)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid, Peroxisome proliferator-activated receptor gamma Authors: Oyama, T, Ohashi, M, Waku, T, Miyachi, H, Morikawa, K. Deposit date: 2010-08-30 Release date: 2011-07-27 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship J.Med.Chem., 54, 2011
3RK5	CDK2 in complex with inhibitor RC-2-72 Descriptor: 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid, Cyclin-dependent kinase 2 Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2011-04-17 Release date: 2012-10-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
4K3Q	E. coli sliding clamp in complex with AcQLDAF Descriptor: (ACE)QLDAF, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... Authors: Yin, Z, Oakley, A.J. Deposit date: 2013-04-11 Release date: 2013-05-01 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp J.Med.Chem., 56, 2013
3AN4	Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO4R Descriptor: (2R)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid, Peroxisome proliferator-activated receptor gamma Authors: Oyama, T, Ohashi, M, Waku, T, Miyachi, H, Morikawa, K. Deposit date: 2010-08-30 Release date: 2011-07-27 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship J.Med.Chem., 54, 2011

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