PDB: 222415 resultsInfo pagesStatus searchChemie searchBIRD

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5RV2	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000311783 Descriptor: N-benzylpyrazine-2-carboxamide, Non-structural protein 3 Authors: Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. Deposit date: 2020-09-28 Release date: 2020-12-16 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.01 Å) Cite: Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5RTY	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157088 Descriptor: 4-HYDROXYBENZAMIDE, Non-structural protein 3 Authors: Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. Deposit date: 2020-09-28 Release date: 2020-12-16 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1 Å) Cite: Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5RVK	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002977810 Descriptor: 7-bromo-5-methyl-1H-indole-2,3-dione, Non-structural protein 3 Authors: Correy, G.C, Young, I.D, Thompson, M.C, Fraser, J.S. Deposit date: 2020-10-02 Release date: 2020-12-16 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.46 Å) Cite: Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5RUE	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000000922 Descriptor: 2-HYDROXY-4-AMINOBENZOIC ACID, Non-structural protein 3 Authors: Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. Deposit date: 2020-09-28 Release date: 2020-12-16 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.02 Å) Cite: Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
4RTZ	Crystal structure of the c-Src-SH3 domain in complex with the high affinity peptide VSL12 Descriptor: GLYCEROL, NICKEL (II) ION, Proto-oncogene tyrosine-protein kinase Src, ... Authors: Camara-Artigas, A, Bacarizo, J. Deposit date: 2014-11-16 Release date: 2015-10-28 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (0.979 Å) Cite: Crystal structure of the c-Src-SH3 domain in complex with the high affinity peptide VSL12 To be Published
5RVV	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000020269197 Descriptor: 6-methyl-1H-indole-3-carboxylic acid, Non-structural protein 3 Authors: Correy, G.C, Young, I.D, Thompson, M.C, Fraser, J.S. Deposit date: 2020-10-02 Release date: 2020-12-16 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
3DNZ	Thermolysin by LB nanotemplate method before high X-Ray dose on ESRF ID14-2 beamline Descriptor: CALCIUM ION, LYSINE, Thermolysin, ... Authors: Pechkova, E, Tripathi, S.K, Nicolini, C. Deposit date: 2008-07-03 Release date: 2009-07-07 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Radiation damage in protein structural characterization by Synchrotron Radiation: State of the art and Nanotechnology-based perspective To be Published
5RUU	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000438614 Descriptor: N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide, Non-structural protein 3 Authors: Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. Deposit date: 2020-09-28 Release date: 2020-12-16 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.01 Å) Cite: Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5RVA	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016343276 Descriptor: 3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE, Non-structural protein 3 Authors: Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. Deposit date: 2020-09-28 Release date: 2020-12-16 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1 Å) Cite: Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
5RVQ	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002508153 Descriptor: 5-methyl-1H-indole-2-carboxylic acid, Non-structural protein 3 Authors: Correy, G.C, Young, I.D, Thompson, M.C, Fraser, J.S. Deposit date: 2020-10-02 Release date: 2020-12-16 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.08 Å) Cite: Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
3DP8	Structural characterization of a putative endogenous metal chelator in the periplasmic nickel transporter NikA (nickel butane-1,2,4-tricarboxylate form) Descriptor: (2R)-butane-1,2,4-tricarboxylic acid, ACETATE ION, CHLORIDE ION, ... Authors: Cherrier, M.V, Cavazza, C, Bochot, C, Lemaire, D, Fontecilla-Camps, J.C. Deposit date: 2008-07-07 Release date: 2008-09-16 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structural characterization of a putative endogenous metal chelator in the periplasmic nickel transporter NikA Biochemistry, 47, 2008
4RW7	Crystal Structure of HIV-1 Reverse Transcriptase (K103N, Y181C) variant in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor Descriptor: (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ... Authors: Frey, K.M, Anderson, K.S. Deposit date: 2014-12-01 Release date: 2015-04-29 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3.014 Å) Cite: Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants. J.Med.Chem., 58, 2015
4RWI	Crystal structure of V561M FGFR1 gatekeeper mutation (C488A, C584S, V561M), apo Descriptor: Fibroblast growth factor receptor 1 Authors: Sohl, C.D, Anderson, K.S. Deposit date: 2014-12-04 Release date: 2015-04-15 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.292 Å) Cite: Illuminating the Molecular Mechanisms of Tyrosine Kinase Inhibitor Resistance for the FGFR1 Gatekeeper Mutation: The Achilles' Heel of Targeted Therapy. Acs Chem.Biol., 10, 2015
3DOM	Crystal Structure of the complex between Tfb5 and the C-terminal domain of Tfb2 Descriptor: RNA polymerase II transcription factor B subunit 2, RNA polymerase II transcription factor B subunit 5 Authors: Kainov, D.E, Cavarelli, J, Egly, J.M, Poterszman, A. Deposit date: 2008-07-04 Release date: 2008-08-19 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structural basis for group A trichothiodystrophy Nat.Struct.Mol.Biol., 15, 2008
3DDG	GOLGI MANNOSIDASE II complex with (3R,4R,5R)-3,4-Dihydroxy-5-({[(1R)-2-hydroxy-1 phenylethyl]amino}methyl) methylpyrrolidin-2-one Descriptor: (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-1-methylpyrrolidin-2-one, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Kuntz, D.A, Rose, D.R, Hoffman, D. Deposit date: 2008-06-05 Release date: 2008-07-01 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.74 Å) Cite: Functionalized pyrrolidine inhibitors of human type II alpha-mannosidases as anti-cancer agents: optimizing the fit to the active site Bioorg.Med.Chem., 16, 2008
4RPG	Crystal structure of Micobacterium tuberculosis UDP-Galactopyranose mutase in complex with substrate UDP-Galp Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GALACTOSE-URIDINE-5'-DIPHOSPHATE, UDP-galactopyranose mutase, ... Authors: Van Straaten, K.E, Sanders, D.A.R. Deposit date: 2014-10-30 Release date: 2015-01-21 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.4001 Å) Cite: Structural Basis of Ligand Binding to UDP-Galactopyranose Mutase from Mycobacterium tuberculosis Using Substrate and Tetrafluorinated Substrate Analogues. J.Am.Chem.Soc., 137, 2015
3DE4	Proteinase K by Classical hanging drop method after the first step of high X-Ray dose on ESRF ID23-1 beamline Descriptor: CALCIUM ION, Proteinase K Authors: Pechkova, E, Tripathi, S.K, Nicolini, C. Deposit date: 2008-06-08 Release date: 2009-06-09 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Radiation stability of proteinase K crystals grown by LB nanotemplate method J.Struct.Biol., 168, 2009
3DPW	Structure of the Yellow Fluorescent Protein Citrine Frozen at 1 Atmosphere Number 1: Structure 1 in a Series of 26 High Pressure Structures Descriptor: Green fluorescent protein Authors: Barstow, B, Kim, C.U. Deposit date: 2008-07-09 Release date: 2008-09-23 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.59 Å) Cite: Alteration of citrine structure by hydrostatic pressure explains the accompanying spectral shift. Proc.Natl.Acad.Sci.Usa, 105, 2008
3DQ4	Structure of the Yellow Fluorescent Protein Citrine Frozen at 2000 Atmospheres Number 2: Structure 20 in a Series of 26 High Pressure Structures Descriptor: Green fluorescent protein Authors: Barstow, B, Kim, C.U. Deposit date: 2008-07-09 Release date: 2008-09-23 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Alteration of citrine structure by hydrostatic pressure explains the accompanying spectral shift. Proc.Natl.Acad.Sci.Usa, 105, 2008
3DQF	Structure of the Yellow Fluorescent Protein Citrine Frozen at 1000 Atmospheres Number 6: Structure 10 in a Series of 26 High Pressure Structures Descriptor: Green fluorescent protein Authors: Barstow, B, Kim, C.U. Deposit date: 2008-07-09 Release date: 2008-09-23 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.46 Å) Cite: Alteration of citrine structure by hydrostatic pressure explains the accompanying spectral shift. Proc.Natl.Acad.Sci.Usa, 105, 2008
3DQO	Structure of the Yellow Fluorescent Protein Citrine Frozen at 1 Atmosphere Number 2: Structure 2 in a Series of 26 High Pressure Structures Descriptor: Green fluorescent protein Authors: Barstow, B, Kim, C.U. Deposit date: 2008-07-09 Release date: 2008-09-23 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Alteration of citrine structure by hydrostatic pressure explains the accompanying spectral shift. Proc.Natl.Acad.Sci.Usa, 105, 2008
3DGH	Crystal Structure of Drosophila Thioredoxin Reductase, C-terminal 8-residue truncation Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, Thioredoxin reductase 1, ... Authors: Eckenroth, B.E, Hondal, R.J, Everse, S.J. Deposit date: 2008-06-13 Release date: 2009-06-16 Last modified: 2021-10-20 Method: X-RAY DIFFRACTION (1.745 Å) Cite: Crystal Structure of Drosophila Thioredoxin Reductase, C-terminal 8-residue truncation To be Published
3DT3	Human Estrogen receptor alpha LBD with GW368 Descriptor: 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol, Estrogen receptor Authors: Williams, S.P, Miller, A.B. Deposit date: 2008-07-14 Release date: 2008-09-09 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Synthesis of 3-alkyl naphthalenes as novel estrogen receptor ligands. Bioorg.Med.Chem.Lett., 18, 2008
4RUX	Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide Descriptor: 4-(allyloxy)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... Authors: Pinard, M.A, Mckenna, R. Deposit date: 2014-11-23 Release date: 2015-04-22 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.14 Å) Cite: A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects. Bioorg.Med.Chem., 23, 2015
3DVS	Proteinase K by LB nanotmplate method after the second step of high dose on ESRF ID14-2 beamline Descriptor: CALCIUM ION, Proteinase K Authors: Pechkova, E, Tripathi, S.K, Nicolini, C. Deposit date: 2008-07-20 Release date: 2009-07-07 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.02 Å) Cite: Radiation damage in protein structural characterization by Synchrotron Radiation: State of the art and Nanotechnology-based perspective To be Published

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