PDB: 47065 resultsInfo pagesStatus searchChemie searchBIRD

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1NG9	E.coli MutS R697A: an ATPase-asymmetry mutant Descriptor: 5'-D(*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP*CP*AP*CP*CP*AP*GP*TP*GP*TP*CP*AP*GP*CP*GP*TP*CP*CP*TP*AP*T)-3', 5'-D(*AP*TP*AP*GP*GP*AP*CP*GP*CP*TP*GP*AP*CP*AP*CP*TP*GP*GP*TP*GP*CP*TP*TP*GP*GP*CP*AP*GP*CP*T)-3', ADENOSINE-5'-DIPHOSPHATE, ... Authors: Lamers, M.H, Winterwerp, H.H.K, Sixma, T.K. Deposit date: 2002-12-17 Release date: 2003-02-11 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.6 Å) Cite: The alternating ATPase domains of MutS control DNA mismatch repair Embo J., 22, 2003
7H25	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1198158918 Descriptor: 1H-indazole-3-carbonitrile, DIMETHYL SULFOXIDE, Serine protease NS3, ... Authors: Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. Deposit date: 2024-04-03 Release date: 2024-05-08 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.564 Å) Cite: PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
7Q17	Beta-lactoglobulin mutant FAW (I56F/L39A/M107W), unliganded form Descriptor: 1,2-ETHANEDIOL, Beta-lactoglobulin Authors: Loch, J.I, Barciszewski, J, Lewinski, K. Deposit date: 2021-10-18 Release date: 2022-05-11 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: New ligand-binding sites identified in the crystal structures of [beta]-lactoglobulin complexes with desipramine Iucrj, 9, 2022
8TAF	Autographa californica multiple nucleopolyhedrovirus VP39 Descriptor: Major viral capsid protein, ZINC ION Authors: Benning, F.M.C, Chao, L.H. Deposit date: 2023-06-27 Release date: 2024-01-10 Last modified: 2024-05-01 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Helical reconstruction of VP39 reveals principles for baculovirus nucleocapsid assembly. Nat Commun, 15, 2024
4KUX	Crystal structure of Aspergillus terreus aristolochene synthase complexed with farnesyl thiolodiphosphate (FSPP) Descriptor: Aristolochene synthase, GLYCEROL, MAGNESIUM ION, ... Authors: Chen, M, Faraldos, J.A, Al-lami, N, Janvier, M, D'Antonio, E.L, Cane, D.E, Allemann, R.K, Christianson, D.W. Deposit date: 2013-05-22 Release date: 2013-08-14 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase. Biochemistry, 52, 2013
2DAO	Solution structure of ETS domain Transcriptional factor ETV6 protein Descriptor: Transcription factor ETV6 Authors: Niraula, T.N, Sasagawa, A, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) Deposit date: 2005-12-14 Release date: 2006-12-12 Last modified: 2024-05-29 Method: SOLUTION NMR Cite: Solution structure of ETS domain Transcriptional factor ETV6 protein To be Published
7PGZ	Structure of dark-adapted AsLOV2 Q513L Descriptor: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... Authors: Gelfert, R, Weyand, M, Moeglich, A. Deposit date: 2021-08-16 Release date: 2022-05-11 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (0.9 Å) Cite: Signal transduction in light-oxygen-voltage receptors lacking the active-site glutamine. Nat Commun, 13, 2022
5EQH	Human GLUT1 in complex with inhibitor (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide Descriptor: (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide, Solute carrier family 2, facilitated glucose transporter member 1 Authors: Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M. Deposit date: 2015-11-12 Release date: 2016-04-13 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.99 Å) Cite: Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides. Proc.Natl.Acad.Sci.USA, 113, 2016
3E70	Structures and conformations in solution of the Signal Recognition Particle Receptor from the Archaeon Pyrococcus Furiosus Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Signal recognition particle receptor Authors: Egea, P.F, Tsuruta, H, Napetschnig, J, Walter, P, Stroud, R.M. Deposit date: 2008-08-17 Release date: 2008-11-18 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Structures of the signal recognition particle receptor from the archaeon Pyrococcus furiosus: implications for the targeting step at the membrane. Plos One, 3, 2008
7H2B	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1272517105 Descriptor: DIMETHYL SULFOXIDE, Serine protease NS3, Serine protease subunit NS2B, ... Authors: Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. Deposit date: 2024-04-03 Release date: 2024-05-08 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.602 Å) Cite: PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
4KVL	Crystal structure of Oryza sativa fatty acid alpha-dioxygenase Y379F with palmitic acid Descriptor: CALCIUM ION, CHLORIDE ION, Fatty acid alpha-oxidase, ... Authors: Zhu, G, Koszelak-Rosenblum, M, Malkowski, M.G. Deposit date: 2013-05-22 Release date: 2013-08-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.96 Å) Cite: Crystal structures of alpha-dioxygenase from Oryza sativa: Insights into substrate binding and activation by hydrogen peroxide. Protein Sci., 22, 2013
1N62	Crystal Structure of the Mo,Cu-CO Dehydrogenase (CODH), n-butylisocyanide-bound state Descriptor: CU(I)-S-MO(IV)(=O)O-NBIC CLUSTER, Carbon monoxide dehydrogenase large chain, Carbon monoxide dehydrogenase medium chain, ... Authors: Dobbek, H, Gremer, L, Kiefersauer, R, Huber, R, Meyer, O. Deposit date: 2002-11-08 Release date: 2002-12-18 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.09 Å) Cite: Catalysis at a dinuclear [CuSMo(=O)OH] cluster in a CO dehydrogenase resolved at 1.1-A resolution Proc.Natl.Acad.Sci.USA, 99, 2002
7H27	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1203191681 Descriptor: DIMETHYL SULFOXIDE, N-[(1H-imidazol-2-yl)methyl]acetamide, Serine protease NS3, ... Authors: Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. Deposit date: 2024-04-03 Release date: 2024-05-08 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.351 Å) Cite: PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
7PH0	Structure of light-adapted AsLOV2 Q513L Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... Authors: Gelfert, R, Weyand, M, Moeglich, A. Deposit date: 2021-08-16 Release date: 2022-05-11 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (0.979 Å) Cite: Signal transduction in light-oxygen-voltage receptors lacking the active-site glutamine. Nat Commun, 13, 2022
5EPZ	Human Angiogenin in complex with sulphate anions at a basic solution Descriptor: Angiogenin, GLYCEROL, SULFATE ION Authors: Chatzileontiadou, D.S.M, Leonidas, D.D. Deposit date: 2015-11-12 Release date: 2016-08-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.85 Å) Cite: The ammonium sulfate inhibition of human angiogenin. Febs Lett., 590, 2016
8TGP	Crystal structure of SIRT2 with FAM-PEG4-H4K16(myristoyl) peptide Descriptor: H4K16(myristoyl) peptide, MYRISTIC ACID, NAD-dependent protein deacetylase sirtuin-2, ... Authors: Nicely, N.I, Weiser, B.P. Deposit date: 2023-07-12 Release date: 2024-01-24 Method: X-RAY DIFFRACTION (1.76 Å) Cite: Effects of Dimerization on the Deacylase Activities of Human SIRT2. Biochemistry, 62, 2023
7H26	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1198317053 Descriptor: (5-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid, DIMETHYL SULFOXIDE, SULFATE ION, ... Authors: Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. Deposit date: 2024-04-03 Release date: 2024-05-08 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.849 Å) Cite: PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
8TPE	Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease Descriptor: N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-3-hydroxypropanamide, Non-structural protein 7 Authors: Chua, T.K, Song, Y. Deposit date: 2023-08-04 Release date: 2024-01-24 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.61 Å) Cite: Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
7PGY	Structure of light-adapted AsLOV2 wild type Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... Authors: Gelfert, R, Weyand, M, Moeglich, A. Deposit date: 2021-08-16 Release date: 2022-05-11 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.09 Å) Cite: Signal transduction in light-oxygen-voltage receptors lacking the active-site glutamine. Nat Commun, 13, 2022
2ZWF	Crystal structure of the copper-bound tyrosinase in complex with a caddie protein from streptomyces castaneoglobisporus obtained by soaking the deoxy-form crystal in dioxygen-saturated solution for 80 minutes Descriptor: COPPER (II) ION, MelC, NITRATE ION, ... Authors: Matoba, Y, Sugiyama, M. Deposit date: 2008-12-03 Release date: 2009-12-15 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Crystallographic evidence of drastic movement of a copper ion toward the substrate tyrosine for starting hydroxylation reaction of tyrosinase To be Published
8TPG	Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease Descriptor: (3R)-N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxybutanamide, Non-structural protein 7 Authors: Chua, T.K, Song, Y. Deposit date: 2023-08-04 Release date: 2024-01-24 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.692 Å) Cite: Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
5BKE	Crystal structure of AAD-2 in complex with Mn(II) and N-oxalylglycine Descriptor: Alpha-ketoglutarate-dependent 2,4-dichlorophenoxyacetate dioxygenase, MANGANESE (II) ION, N-OXALYLGLYCINE, ... Authors: Chekan, J.R, Nair, S.K. Deposit date: 2019-06-02 Release date: 2019-06-12 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants. Proc.Natl.Acad.Sci.USA, 116, 2019
7H0K	Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011076-001 Descriptor: 4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazin-7-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Papain-like protease nsp3 Authors: Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. Deposit date: 2024-01-23 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
7H2J	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1787627869 Descriptor: 5-chloro-N-methyl-N-{[(3R)-oxolan-3-yl]methyl}pyrimidin-4-amine, DIMETHYL SULFOXIDE, Serine protease NS3, ... Authors: Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. Deposit date: 2024-04-03 Release date: 2024-05-08 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.762 Å) Cite: PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
5ALS	ligand complex structure of soluble epoxide hydrolase Descriptor: BIFUNCTIONAL EPOXIDE HYDROLASE 2, N-CYCLOPENTYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE-7-SULFONAMIDE, SULFATE ION Authors: Oster, L, Tapani, S, Xue, Y, Kack, H. Deposit date: 2015-03-08 Release date: 2015-05-13 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.57 Å) Cite: Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015

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