PDB: 93176 resultsInfo pagesStatus searchChemie searchBIRD

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3H63	Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms originally soaked with cantharidin (which is present in the structure in the hydrolyzed form) Descriptor: (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 Authors: Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. Deposit date: 2009-04-23 Release date: 2009-09-29 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
5QLH	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure C4_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.887 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QLX	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure D4_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2020-07-22 Method: X-RAY DIFFRACTION (1.896 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QMD	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure E9_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.972 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QMS	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure G1_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2020-07-22 Method: X-RAY DIFFRACTION (2.047 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
4ZRQ	E88 deletion mutant of CD320 in complex with TC2 Descriptor: CALCIUM ION, CD320 antigen, CYANOCOBALAMIN, ... Authors: Alam, A, Locher, K.P. Deposit date: 2015-05-12 Release date: 2016-07-20 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structural basis of transcobalamin recognition by human CD320 receptor. Nat Commun, 7, 2016
5Q6L	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 158) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.82 Å) Cite: PanDDA analysis group deposition To Be Published
5Q73	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 176) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.36 Å) Cite: PanDDA analysis group deposition To Be Published
5Q7J	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 192) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.54 Å) Cite: PanDDA analysis group deposition To Be Published
5Q82	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 211) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.2 Å) Cite: PanDDA analysis group deposition To Be Published
5QN9	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure H3_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2020-07-22 Method: X-RAY DIFFRACTION (1.938 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
4Z6A	Crystal Structure of a FVIIa-Trypsin Chimera (YT) in Complex with Soluble Tissue Factor Descriptor: CALCIUM ION, CITRIC ACID, Coagulation factor VII, ... Authors: Sorensen, A.B, Svensson, L.A, Gandhi, P.S. Deposit date: 2015-04-04 Release date: 2015-12-30 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity. J.Biol.Chem., 291, 2016
5Q8G	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 225) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2 Å) Cite: PanDDA analysis group deposition To Be Published
5Q8O	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 234) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.67 Å) Cite: PanDDA analysis group deposition To Be Published
5Q94	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 250) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: PanDDA analysis group deposition To Be Published
5Q9K	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 266) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.78 Å) Cite: PanDDA analysis group deposition To Be Published
4Z7I	Crystal structure of insulin regulated aminopeptidase in complex with ligand Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DG025 transition-state analogue enzyme inhibitor, ... Authors: Mpakali, A, Saridakis, E, Harlos, K, Zhao, Y, Stratikos, E. Deposit date: 2015-04-07 Release date: 2015-08-26 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (3.31 Å) Cite: Crystal Structure of Insulin-Regulated Aminopeptidase with Bound Substrate Analogue Provides Insight on Antigenic Epitope Precursor Recognition and Processing. J Immunol., 195, 2015
5QA0	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 282) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.47 Å) Cite: PanDDA analysis group deposition To Be Published
5QMM	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure F4_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2020-07-22 Method: X-RAY DIFFRACTION (1.961 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QN3	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure G7_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2020-07-22 Method: X-RAY DIFFRACTION (2.137 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QQC	Crystal Structure of T. cruzi FPPS after initial refinement with no ligand modelled (structure $n) Descriptor: ACETATE ION, Farnesyl diphosphate synthase, MAGNESIUM ION, ... Authors: Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. Deposit date: 2019-03-14 Release date: 2020-04-29 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.62 Å) Cite: PanDDA analysis group deposition of ground-state model - FPPS screened against the DSI Fragment Library To Be Published
5ILQ	Crystal structure of truncated unliganded Aspartate Transcarbamoylase from Plasmodium falciparum Descriptor: Aspartate carbamoyltransferase, GLYCEROL, SULFATE ION Authors: Lunev, S, Bosch, S.S, Batista, F.D.A, Wrenger, C, Groves, M.R. Deposit date: 2016-03-04 Release date: 2016-06-08 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal structure of truncated aspartate transcarbamoylase from Plasmodium falciparum. Acta Crystallogr.,Sect.F, 72, 2016
5Q6E	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 151) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.47 Å) Cite: PanDDA analysis group deposition To Be Published
5Q6T	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 166) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.59 Å) Cite: PanDDA analysis group deposition To Be Published
5Q79	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 182) Descriptor: DCLRE1A, MALONATE ION, NICKEL (II) ION Authors: Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2017-05-25 Release date: 2018-08-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.83 Å) Cite: PanDDA analysis group deposition To Be Published

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