PDB: 68717 resultsInfo pagesStatus searchChemie searchBIRD

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2QTH	Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus in complex with GDP Descriptor: ACETATE ION, CADMIUM ION, GTP-binding protein, ... Authors: Wu, H, Sun, L, Brouns, S.J, Fu, S, Rao, Z, Van der Oost, J. Deposit date: 2007-08-02 Release date: 2008-08-19 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus. To be Published
6NKZ	Ternary complex crystal structure of K289M variant of DNA polymerase Beta with "hot-spot sequence" with beta-gamma methylene dGTP Descriptor: 2'-DEOXY-5'-O-(HYDROXY{[HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]OXY}PHOSPHORYL)GUANOSINE, DNA (5'-D(*CP*CP*GP*AP*AP*CP*AP*AP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*TP*(2DT))-3'), ... Authors: Batra, V.K, Wilson, S.H. Deposit date: 2019-01-07 Release date: 2020-01-08 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography. Biochemistry, 59, 2020
9EHI	Crystal structure of ENL YEATS in complex with histone H3 methacrylated at K18 Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Histone H3.1, Protein ENL Authors: Becht, D.C, Selvam, K, Kutateladze, T.G. Deposit date: 2024-11-22 Release date: 2025-04-09 Last modified: 2025-06-11 Method: X-RAY DIFFRACTION (2.6 Å) Cite: The YEATS domain is a selective reader of histone methacrylation. Structure, 2025
4P9N	Crystal structure of sshesti PE mutant Descriptor: Carboxylesterase Authors: Unno, H. Deposit date: 2014-04-04 Release date: 2014-07-30 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural Insights into the Low pH Adaptation of a Unique Carboxylesterase from Ferroplasma: ALTERING THE pH OPTIMA OF TWO CARBOXYLESTERASES. J.Biol.Chem., 289, 2014
6VSH	Crystal structure of apo Dicamba Monooxygenase Descriptor: Dicamba O-demethylase, oxygenase component, FE2/S2 (INORGANIC) CLUSTER Authors: Rydel, T.J. Deposit date: 2020-02-11 Release date: 2020-02-26 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (3 Å) Cite: Dicamba monooxygenase: structural insights into a dynamic Rieske oxygenase that catalyzes an exocyclic monooxygenation. J. Mol. Biol., 392, 2009
6OYB	Crystal structure of H62G mutant of human macrophage migration inhibitory factor Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ... Authors: Pantouris, G, Lolis, E. Deposit date: 2019-05-14 Release date: 2020-04-22 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel. Cell Chem Biol, 27, 2020
4M4N	Structural evaluation the Y358H mutant of the aspergillus fumigatus kdnase (sialidase) Descriptor: Extracellular sialidase/neuraminidase, putative, GLYCEROL, ... Authors: Telford, J.C, Taylor, G.L. Deposit date: 2013-08-07 Release date: 2014-09-17 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Active site mutants of a fungal KDNase To be Published
6NPP	Crystal structure of Epstein-Barr Virus Nuclear Antigen-1, EBNA1, bound to fragments Descriptor: 3-(phenylethynyl)-2-(1H-pyrrol-1-yl)benzoic acid, EBNA1, Epstein-Barr nuclear antigen 1 Authors: Messick, T.E. Deposit date: 2019-01-18 Release date: 2019-03-20 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Structure-based design of small-molecule inhibitors of EBNA1 DNA binding blocks Epstein-Barr virus latent infection and tumor growth. Sci Transl Med, 11, 2019
4M4U	Structural evaluation D84A mutant of the aspergillus fumigatus kdnase (sialidase) Descriptor: CHLORIDE ION, Extracellular sialidase/neuraminidase, putative, ... Authors: Telford, J.C, Taylor, G.L. Deposit date: 2013-08-07 Release date: 2014-09-17 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Active site mutants of a fungal KDNase To be Published
6O9X	Structure of human PARG complexed with JA2-4 Descriptor: 1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase Authors: Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. Deposit date: 2019-03-15 Release date: 2019-12-25 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
6OA1	Structure of human PARG complexed with JA2120 Descriptor: 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione, Poly(ADP-ribose) glycohydrolase Authors: Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. Deposit date: 2019-03-15 Release date: 2019-12-25 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
6NKT	Ternary complex crystal structure of K289M variant of DNA polymerase Beta with beta-gamma difluoro analogue of dGTP Descriptor: 2'-DEOXY-5'-O-[({[DIFLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL}OXY)(HYDROXY)PHOSPHORYL]GUANOSINE, DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3'), ... Authors: Batra, V.K, Wilson, S.H. Deposit date: 2019-01-07 Release date: 2020-01-08 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography. Biochemistry, 59, 2020
6NKY	Ternary complex crystal structure of K289M variant of DNA polymerase Beta with "hot-spot sequence" with beta-gamma CHF analogue of dGTP Descriptor: 2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*AP*CP*AP*AP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... Authors: Batra, V.K, Wilson, S.H. Deposit date: 2019-01-07 Release date: 2020-01-08 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.094 Å) Cite: Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography. Biochemistry, 59, 2020
6NKS	Ternary complex crystal structure of K289M variant of DNA polymerase Beta with beta-gamma CHF analog of dGTP Descriptor: 2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... Authors: Batra, V.K, Wilson, S.H. Deposit date: 2019-01-07 Release date: 2020-01-08 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.349 Å) Cite: Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography. Biochemistry, 59, 2020
6NKW	Ternary complex crystal structure of DNA polymerase Beta with "hot-spot sequence" with beta-gamma-methylene dGTP Descriptor: 2'-DEOXY-5'-O-(HYDROXY{[HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]OXY}PHOSPHORYL)GUANOSINE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*AP*CP*AP*AP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... Authors: Batra, V.K, Wilson, S.H. Deposit date: 2019-01-07 Release date: 2020-01-08 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography. Biochemistry, 59, 2020
6OKE	Crystal structure of an apo Transferrin-Receptor-Binding cystine-dense peptide Descriptor: Transferrin-Receptor Binding Peptide Authors: Rupert, P.B, Strong, R.K. Deposit date: 2019-04-12 Release date: 2020-04-15 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2.55 Å) Cite: A TfR-Binding Cystine-Dense Peptide Promotes Blood-Brain Barrier Penetration of Bioactive Molecules. J.Mol.Biol., 432, 2020
4RR7	N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Ser3AA (snapshot 2) Descriptor: MAGNESIUM ION, Probable threonine--tRNA ligase 2, SERINE-3'-AMINOADENOSINE Authors: Ahmad, S, Muthukumar, S, Yerabham, A.S.K, Kamarthapu, V, Sankaranarayanan, R. Deposit date: 2014-11-06 Release date: 2015-07-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme. Nat Commun, 6, 2015
4RRG	Editing domain of threonyl-tRNA synthetase from Methanococcus jannaschii with L-Thr3AA Descriptor: 3'-deoxy-3'-(L-threonylamino)adenosine, Threonine--tRNA ligase Authors: Ahmad, S, Yerabham, A.S.K, Kamarthapu, V, Sankaranarayanan, R. Deposit date: 2014-11-06 Release date: 2015-07-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme. Nat Commun, 6, 2015
6NL0	Ternary complex crystal structure of K289M variant of DNA polymerase Beta with "hot-spot sequence" with beta-gamma CF2 analogue of dGTP Descriptor: 2'-DEOXY-5'-O-[({[DIFLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL}OXY)(HYDROXY)PHOSPHORYL]GUANOSINE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*AP*CP*AP*AP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... Authors: Batra, V.K, Wilson, S.H. Deposit date: 2019-01-07 Release date: 2020-01-08 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography. Biochemistry, 59, 2020
4O56	Structure of PLK1 in complex with peptide Descriptor: PHOSPHATE ION, Serine/threonine-protein kinase PLK1, synthetic peptide Authors: Wang, T. Deposit date: 2013-12-19 Release date: 2014-12-24 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Integration of Charge-dipole Interaction and Intramolecular Hydrogen Bond in Ligand Design for the Polo-Box Domain of Polo-like Kinase 1 To be Published
4NZQ	Crystal structure of Ca2+-free prothrombin deletion mutant residues 146-167 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin Authors: Pozzi, N, Chen, Z, Shropshire, D.B, Pelc, L.A, Di Cera, E. Deposit date: 2013-12-12 Release date: 2014-05-21 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.807 Å) Cite: The linker connecting the two kringles plays a key role in prothrombin activation. Proc.Natl.Acad.Sci.USA, 111, 2014
4QH3	X-ray structure of the adduct formed between bovine pancreatic ribonuclease and trans-dimethylamine methylamine dichlorido platinum(II) Descriptor: Ribonuclease pancreatic, bis(chloranyl)-(dimethylamino)-(methylamino)platinum Authors: Russo Krauss, I, Merlino, A. Deposit date: 2014-05-26 Release date: 2014-07-30 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Interactions between Anticancer trans-Platinum Compounds and Proteins: Crystal Structures and ESI-MS Spectra of Two Protein Adducts of trans-(Dimethylamino)(methylamino)dichloridoplatinum(II). Inorg.Chem., 53, 2014
6OA0	Structure of human PARG complexed with JA2-9 Descriptor: 4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid, Poly(ADP-ribose) glycohydrolase Authors: Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. Deposit date: 2019-03-15 Release date: 2019-12-25 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
9DP0	Fibrillar assembly of racemic, C-alpha methylated, macrocyclic beta-hairpins Descriptor: CITRATE ANION, PENTAETHYLENE GLYCOL, racemic, ... Authors: Samdin, T.D, Lubkowski, J, Anderson, C.F, Schneider, J.P. Deposit date: 2024-09-20 Release date: 2025-04-30 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (2 Å) Cite: From Hydrogel to Crystal: A Molecular Design Strategy that Chemically Modifies Racemic Gel-Forming Peptides to Furnish Crystalline Fibrils Stabilized by Parallel Rippled beta-Sheets. J.Am.Chem.Soc., 147, 2025
9DOX	Fibrillar assembly of an L-enantiopure, C-alpha methylated, macrocyclic beta-hairpin Descriptor: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, L-enantiopure, C-alpha methylated, ... Authors: Samdin, T.D, Lubkowski, J, Anderson, C.F, Schneider, J.P. Deposit date: 2024-09-20 Release date: 2025-04-30 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (2.25 Å) Cite: From Hydrogel to Crystal: A Molecular Design Strategy that Chemically Modifies Racemic Gel-Forming Peptides to Furnish Crystalline Fibrils Stabilized by Parallel Rippled beta-Sheets. J.Am.Chem.Soc., 147, 2025

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