PDB: 98078 resultsInfo pagesStatus searchChemie searchBIRD

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5A6J	GH20C, Beta-hexosaminidase from Streptococcus pneumoniae Descriptor: 1,2-ETHANEDIOL, N-ACETYL-BETA-D-GLUCOSAMINIDASE Authors: Cid, M, Robb, C.S, Higgins, M.A, Boraston, A.B. Deposit date: 2015-06-26 Release date: 2015-09-23 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.94 Å) Cite: A Second beta-Hexosaminidase Encoded in the Streptococcus pneumoniae Genome Provides an Expanded Biochemical Ability to Degrade Host Glycans. J. Biol. Chem., 290, 2015
3ZO3	The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors Descriptor: 6-(2,9-DIAZASPIRO[5.5]UNDECAN-2-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ... Authors: Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. Deposit date: 2013-02-20 Release date: 2013-03-06 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases. Bioorg. Med. Chem., 21, 2013
3C6P	Small molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling Descriptor: (2S)-2-(1H-indol-3-yl)pentanoic acid, INOSITOL HEXAKISPHOSPHATE, SKP1-like protein 1A, ... Authors: Tan, X. Deposit date: 2008-02-04 Release date: 2008-04-22 Last modified: 2025-05-14 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Small-molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling. Proc.Natl.Acad.Sci.Usa, 105, 2008
6BQZ	Crystal Structure of Tyrosine-tRNA Synthetase from Acinetobacter baumannii with bound L-Tyrosine Descriptor: ACETATE ION, MAGNESIUM ION, TYROSINE, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2017-11-29 Release date: 2017-12-13 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal Structure of Tyrosine-tRNA Synthetase from Acinetobacter baumannii with bound L-Tyrosine To be Published
1JIN	P450eryF/ketoconazole Descriptor: CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE, CYTOCHROME P450 107A1, PROTOPORPHYRIN IX CONTAINING FE Authors: Cupp-Vickery, J.R, Garcia, C, Hofacre, A, McGee-Estrada, K. Deposit date: 2001-07-02 Release date: 2001-10-17 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Ketoconazole-induced conformational changes in the active site of cytochrome P450eryF. J.Mol.Biol., 311, 2001
6WBD	Crystal Structure of Lysyl-tRNA synthetase from Stenotrophomonas maltophilia with bound L-lysine Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, LYSINE, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2020-03-26 Release date: 2020-04-08 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Crystal Structure of Lysyl-tRNA synthetase from Stenotrophomonas maltophilia with bound L-lysine to be published
5DUC	Crystal structure of M. tuberculosis EchA6 bound to ligand GSK951A Descriptor: (5R,7S)-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 Authors: Cox, J.A.G, Besra, G.S, Futterer, K. Deposit date: 2015-09-18 Release date: 2016-01-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.704 Å) Cite: THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria. Nat Microbiol, 1, 2016
4C38	PKA-S6K1 Chimera with compound 21e (CCT239066) bound Descriptor: 4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR PEPTIDE, ... Authors: Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. Deposit date: 2013-08-21 Release date: 2013-10-09 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.58 Å) Cite: The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
5ZH2	CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-5 Descriptor: (3R)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... Authors: Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A. Deposit date: 2018-03-11 Release date: 2018-06-27 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.66 Å) Cite: Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite J. Med. Chem., 61, 2018
4C35	PKA-S6K1 Chimera with compound 1 (NU1085) bound Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... Authors: Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. Deposit date: 2013-08-21 Release date: 2013-10-09 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2.19 Å) Cite: The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
5CLU	THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH A SACCHARINE DERIVATIVE Descriptor: (1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid, Carbonic anhydrase 2, GLYCEROL, ... Authors: D'Ambrosio, K, De Simone, G. Deposit date: 2015-07-16 Release date: 2015-11-11 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.55 Å) Cite: A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic Anhydrases. Chemistry, 22, 2016
5V58	Crystal structure of human prolyl-tRNA synthetase in complex with Aze-SA Descriptor: 5'-O-{[(2S)-azetidine-2-carbonyl]sulfamoyl}adenosine, Bifunctional glutamate/proline--tRNA ligase, ZINC ION Authors: Zhou, H, Song, Y, Schimmel, P. Deposit date: 2017-03-13 Release date: 2018-01-10 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2.59 Å) Cite: Double mimicry evades tRNA synthetase editing by toxic vegetable-sourced non-proteinogenic amino acid. Nat Commun, 8, 2017
4KMB	COMPLEX OF 4'-SULFO-LEWIS-X WITH A SELECTIN-LIKE MUTANT OF MANNOSE-BINDING PROTEIN A Descriptor: CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN-A, ... Authors: Ng, K.K.-S, Weis, W.I. Deposit date: 1996-11-07 Release date: 1997-02-12 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure of a selectin-like mutant of mannose-binding protein complexed with sialylated and sulfated Lewis(x) oligosaccharides. Biochemistry, 36, 1997
7D9V	CRTC1 pSer245 peptide in complex with 14-3-3 zeta Descriptor: 14-3-3 protein zeta/delta, CRTC1 pSer245 peptide, GLYCEROL Authors: Chen, H, Zhang, H, Xiang, S. Deposit date: 2020-10-14 Release date: 2021-02-24 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (2.21 Å) Cite: Structural Insights into the Interaction Between CRTCs and 14-3-3. J.Mol.Biol., 433, 2021
7D8P	CRTC1 pSer151 peptide in complex with 14-3-3 zeta Descriptor: 14-3-3 protein zeta/delta, CRTC1 pSer151 peptide, GLYCEROL Authors: Chen, H, Zhang, H, Xiang, S. Deposit date: 2020-10-08 Release date: 2021-02-24 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural Insights into the Interaction Between CRTCs and 14-3-3. J.Mol.Biol., 433, 2021
7D8H	CRTC1 pSer64 peptide in complex with 14-3-3 zeta Descriptor: 14-3-3 protein zeta/delta, CRTC1 pSer64 peptide Authors: Chen, H, Zhang, H, Xiang, S. Deposit date: 2020-10-08 Release date: 2021-02-24 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2.42 Å) Cite: Structural Insights into the Interaction Between CRTCs and 14-3-3. J.Mol.Biol., 433, 2021
1BPJ	THYMIDYLATE SYNTHASE R178T, R179T DOUBLE MUTANT Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE) Authors: Morse, R.J, Finer-Moore, J.S, Stroud, R.M. Deposit date: 1998-08-11 Release date: 1998-08-19 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance". Biochemistry, 39, 2000
3FY2	Human EphA3 Kinase and Juxtamembrane Region Bound to Substrate KQWDNYEFIW Descriptor: Ephrin type-A receptor 3, peptide substrate Authors: Davis, T, Walker, J.R, Mackenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) Deposit date: 2009-01-21 Release date: 2009-02-03 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural recognition of an optimized substrate for the ephrin family of receptor tyrosine kinases. Febs J., 276, 2009
1BP0	THYMIDYLATE SYNTHASE R23I MUTANT Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE) Authors: Morse, R, Finer-Moore, J, Stroud, R.M. Deposit date: 1998-08-11 Release date: 2000-01-12 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance". Biochemistry, 39, 2000
3M8M	1.05 A Structure of Manganese-free Manganese Peroxidase Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... Authors: Sundaramoorthy, M, Gold, M.H, Poulos, T.L. Deposit date: 2010-03-18 Release date: 2010-04-14 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.05 Å) Cite: Ultrahigh (0.93A) resolution structure of manganese peroxidase from Phanerochaete chrysosporium: implications for the catalytic mechanism. J.Inorg.Biochem., 104, 2010
4P74	PheRS in complex with compound 3a Descriptor: N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit Authors: Ferguson, A.D. Deposit date: 2014-03-25 Release date: 2014-06-25 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.7 Å) Cite: The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability. J.Biol.Chem., 289, 2014
1BP6	THYMIDYLATE SYNTHASE R23I, R179T DOUBLE MUTANT Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE) Authors: Morse, R.J, Finer-Moore, J.S, Stroud, R.M. Deposit date: 1998-08-13 Release date: 1998-08-19 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance". Biochemistry, 39, 2000
3ZO2	The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(2,9-Diazaspiro[5.5]undecan-9-yl)-9H-purine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... Authors: Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. Deposit date: 2013-02-20 Release date: 2013-03-06 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases. Bioorg. Med. Chem., 21, 2013
6AQH	Crystal Structure of Lysyl-tRNA Synthetase from Mycobacterium thermoresistibile complexed with L-lysine and Cladosporin Descriptor: 1,2-ETHANEDIOL, LYSINE, Lysine--tRNA ligase, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2017-08-19 Release date: 2017-08-30 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Crystal Structure of Lysyl-tRNA Synthetase from Mycobacterium thermoresistibile complexed with L-lysine and Cladosporin to be published
8A5X	Crystal structure of phosphatidyl inositol 4-kinase II beta in complex with MM1373 Descriptor: 4-azanyl-7-[3-(hydroxymethyl)phenyl]quinazoline-6-carboxamide, Phosphatidylinositol 4-kinase type 2-beta,Endolysin Authors: Klima, M, Boura, E. Deposit date: 2022-06-16 Release date: 2022-10-05 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structure-based design and modular synthesis of novel PI4K class II inhibitors bearing a 4-aminoquinazoline scaffold. Bioorg.Med.Chem.Lett., 76, 2022

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