PDB: 20558 resultsInfo pagesStatus searchChemie searchBIRD

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5LAB	Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor NNGH Descriptor: CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ... Authors: Ravera, E, Calderone, V, Luchinat, C. Deposit date: 2016-06-14 Release date: 2016-08-10 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.34 Å) Cite: First-principles calculation of pseudo-contact shifts in a paramagnetic metalloprotein To Be Published
1E65	Azurin from Pseudomonas aeruginosa, apo form Descriptor: AZURIN Authors: Nar, H, Messerschmidt, A. Deposit date: 2000-08-08 Release date: 2000-08-16 Last modified: 2017-07-12 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystal Structure of Pseudomonas Aeruginosa Apo-Azurin at 1.85 A Resolution. FEBS Lett., 306, 1992
6U11	Xenopus laevis N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) (C46S C219S C453S C480S C486S) with CTD mostly flexible Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Gorelik, A, Illes, K, Nagar, B. Deposit date: 2019-08-15 Release date: 2020-02-19 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme. Structure, 28, 2020
5I9X	Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with bosutinib (SKI-606) Descriptor: 1,2-ETHANEDIOL, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Ephrin type-A receptor 2 Authors: Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. Deposit date: 2016-02-21 Release date: 2016-11-09 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.427 Å) Cite: Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
5I5Y	X-RAY CRYSTAL STRUCTURE AT 1.81A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH AN ARYL ACETATE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. Descriptor: 1,2-ETHANEDIOL, Branched-chain-amino-acid aminotransferase, mitochondrial, ... Authors: Somers, D.O. Deposit date: 2016-02-15 Release date: 2016-03-23 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.81 Å) Cite: Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J.Med.Chem., 59, 2016
5I9W	Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with ANP Descriptor: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER Authors: Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. Deposit date: 2016-02-21 Release date: 2016-11-09 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.359 Å) Cite: Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
5IA5	Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with golvatinib (E7050) Descriptor: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, golvatinib Authors: Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. Deposit date: 2016-02-21 Release date: 2016-11-09 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.776 Å) Cite: Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
6UIK	Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction Descriptor: 5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domanin 5 Authors: Zhao, B. Deposit date: 2019-10-01 Release date: 2020-04-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
6UIF	Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction Descriptor: 4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide, WD repeat domain 5 Authors: Zhao, B. Deposit date: 2019-09-30 Release date: 2020-04-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.603 Å) Cite: Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
5I5X	X-RAY CRYSTAL STRUCTURE AT 1.65A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A THIAZOLE COMPOUND AND PMP COFACTOR. Descriptor: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide, ... Authors: Somers, D.O. Deposit date: 2016-02-15 Release date: 2016-03-23 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J.Med.Chem., 59, 2016
6TYY	Hedgehog autoprocessing mutant D46H Descriptor: Protein hedgehog Authors: Li, H, Li, Z, Wang, C, Callahan, B.P. Deposit date: 2019-08-09 Release date: 2019-11-20 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.36 Å) Cite: General Base Swap Preserves Activity and Expands Substrate Tolerance in Hedgehog Autoprocessing. J.Am.Chem.Soc., 141, 2019
6UJH	Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction Descriptor: (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile, DIMETHYL SULFOXIDE, SULFATE ION, ... Authors: Phan, J, Fesik, S.W. Deposit date: 2019-10-03 Release date: 2020-04-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.493 Å) Cite: Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
5I5W	X-RAY CRYSTAL STRUCTURE AT 2.40A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIARYL AMIDE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. Descriptor: 1,2-ETHANEDIOL, Branched-chain-amino-acid aminotransferase, mitochondrial, ... Authors: Somers, D.O. Deposit date: 2016-02-15 Release date: 2016-03-23 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J.Med.Chem., 59, 2016
5IA2	Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with compound 66 Descriptor: 1,2-ETHANEDIOL, 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, Ephrin type-A receptor 2 Authors: Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. Deposit date: 2016-02-21 Release date: 2016-11-09 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.619 Å) Cite: Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
6UJ4	Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction Descriptor: 5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domain 5 Authors: Zhao, B. Deposit date: 2019-10-02 Release date: 2020-04-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
6UJL	Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction Descriptor: 6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol, WD repeat-containing protein 5 Authors: Phan, J. Deposit date: 2019-10-03 Release date: 2020-04-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.599 Å) Cite: Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
6UJJ	Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction Descriptor: 5-[4-(trifluoromethyl)phenyl]-1H-tetrazole, WD repeat-containing protein 5 Authors: Phan, J. Deposit date: 2019-10-03 Release date: 2020-04-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.731 Å) Cite: Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
5I5T	X-RAY CRYSTAL STRUCTURE AT 2.31A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TETRAHYDROQUINOLINE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. Descriptor: (3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide, 1,2-ETHANEDIOL, Branched-chain-amino-acid aminotransferase, ... Authors: Somers, D.O. Deposit date: 2016-02-15 Release date: 2016-03-23 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.31 Å) Cite: Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J.Med.Chem., 59, 2016
6UOZ	Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction Descriptor: 5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide, WD repeat domain 5 Authors: Zhao, B. Deposit date: 2019-10-16 Release date: 2020-04-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.532 Å) Cite: Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
5K2X	Crystal structure of M. tuberculosis UspC (tetragonal crystal form) Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, IODIDE ION, ... Authors: Futterer, K, Fullam, E, Besra, G.S. Deposit date: 2016-05-19 Release date: 2016-06-01 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structural and functional analysis of the solute-binding protein UspC from Mycobacterium tuberculosis that is specific for amino sugars. Open Biology, 6, 2016
5IA0	Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with alisertib (MLN8237) Descriptor: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, alisertib Authors: Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. Deposit date: 2016-02-21 Release date: 2016-11-09 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.948 Å) Cite: Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
6MH7	Crystal structure of the first bromodomain of human BRD4 in complex with SKT-68, a 1,4,5-trisubstituted imidazole analogue Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... Authors: Zhu, J.-Y, Schonbrunn, E. Deposit date: 2018-09-17 Release date: 2019-08-07 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.74 Å) Cite: Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor. J.Med.Chem., 61, 2018
6MIU	Crystal structure of p62 ZZ domain in complex with Arg-Glu peptide Descriptor: Sequestosome-1, Arg-Glu peptide chimera, ZINC ION Authors: Ahn, J, Zhang, Y, Kutateladze, T.G. Deposit date: 2018-09-20 Release date: 2018-10-31 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: ZZ-dependent regulation of p62/SQSTM1 in autophagy. Nat Commun, 9, 2018
6VH6	Crystal structure of Epstein-Barr Virus Nuclear Antigen-1, EBNA1, bound to fragment Descriptor: 4-hydroxy-6-methyl-2H-1-benzopyran-2-one, Epstein-Barr nuclear antigen 1 Authors: Messick, T.E, Lieberman, P.M. Deposit date: 2020-01-09 Release date: 2020-05-06 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Biophysical Screens Identify Fragments That Bind to the Viral DNA-Binding Proteins EBNA1 and LANA. Molecules, 25, 2020
5K2Y	Crystal structure of M. tuberculosis UspC (monoclinic crystal form) Descriptor: Probable periplasmic sugar-binding lipoprotein UspC Authors: Futterer, K, Fullam, E, Besra, G.S. Deposit date: 2016-05-19 Release date: 2016-06-01 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.41 Å) Cite: Structural and functional analysis of the solute-binding protein UspC from Mycobacterium tuberculosis that is specific for amino sugars. Open Biology, 6, 2016

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