PDB: 82771 resultsInfo pagesStatus searchChemie searchBIRD

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5RZJ	EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434938 Descriptor: 1,2-ETHANEDIOL, 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, DIMETHYL SULFOXIDE, ... Authors: Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. Deposit date: 2020-10-30 Release date: 2020-11-11 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.68 Å) Cite: EPB41L3 PanDDA analysis group deposition To Be Published
5RZQ	EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z100642432 Descriptor: 1,2-ETHANEDIOL, 2-bromo-4-fluoro-N,N-dimethylbenzamide, DIMETHYL SULFOXIDE, ... Authors: Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. Deposit date: 2020-10-30 Release date: 2020-11-11 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.88 Å) Cite: EPB41L3 PanDDA analysis group deposition To Be Published
5RYM	EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z31217395 Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ... Authors: Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. Deposit date: 2020-10-30 Release date: 2020-11-11 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.64 Å) Cite: EPB41L3 PanDDA analysis group deposition To Be Published
5RYY	EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z57257264 Descriptor: 1,2-ETHANEDIOL, 1-(3-phenylprop-2-yn-1-yl)piperidine, DIMETHYL SULFOXIDE, ... Authors: Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. Deposit date: 2020-10-30 Release date: 2020-11-11 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.69 Å) Cite: EPB41L3 PanDDA analysis group deposition To Be Published
5RZF	EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z57040482 Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ... Authors: Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. Deposit date: 2020-10-30 Release date: 2020-11-11 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.76 Å) Cite: EPB41L3 PanDDA analysis group deposition To Be Published
5RZU	EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z32400357 Descriptor: 1,2-ETHANEDIOL, 1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide, DIMETHYL SULFOXIDE, ... Authors: Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. Deposit date: 2020-10-30 Release date: 2020-11-11 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.66 Å) Cite: EPB41L3 PanDDA analysis group deposition To Be Published
5RZB	EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z271004858 Descriptor: 1,2-ETHANEDIOL, 4-amino-N-(pyridin-2-yl)benzenesulfonamide, DIMETHYL SULFOXIDE, ... Authors: Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. Deposit date: 2020-10-30 Release date: 2020-11-11 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.59 Å) Cite: EPB41L3 PanDDA analysis group deposition To Be Published
5RZR	EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z53825177 Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ... Authors: Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. Deposit date: 2020-10-30 Release date: 2020-11-11 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.78 Å) Cite: EPB41L3 PanDDA analysis group deposition To Be Published
5RZ9	EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z943693514 Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ... Authors: Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. Deposit date: 2020-10-30 Release date: 2020-11-11 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.79 Å) Cite: EPB41L3 PanDDA analysis group deposition To Be Published
5RZP	EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z33546965 Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ... Authors: Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. Deposit date: 2020-10-30 Release date: 2020-11-11 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: EPB41L3 PanDDA analysis group deposition To Be Published
5RYN	EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1545312521 Descriptor: (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... Authors: Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. Deposit date: 2020-10-30 Release date: 2020-11-11 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.88 Å) Cite: EPB41L3 PanDDA analysis group deposition To Be Published
5RYW	EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434829 Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ... Authors: Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. Deposit date: 2020-10-30 Release date: 2020-11-11 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.66 Å) Cite: EPB41L3 PanDDA analysis group deposition To Be Published
5RZC	EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z300245038 Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ... Authors: Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. Deposit date: 2020-10-30 Release date: 2020-11-11 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.75 Å) Cite: EPB41L3 PanDDA analysis group deposition To Be Published
5RZT	EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z763030030 Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ... Authors: Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. Deposit date: 2020-10-30 Release date: 2020-11-11 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.79 Å) Cite: EPB41L3 PanDDA analysis group deposition To Be Published
5QPC	Crystal Structure of DCP2 (NUDT20) after initial refinement with no ligand modelled (structure $n) Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... Authors: Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. Deposit date: 2019-02-22 Release date: 2019-05-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.66 Å) Cite: PanDDA analysis group deposition of ground-state model To Be Published
5QT3	Ground state model of human erythroid-specific 5'-aminolevulinate synthase, ALAS2 - SGC Diamond Xchem fragment screening Descriptor: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ... Authors: Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. Deposit date: 2019-06-28 Release date: 2019-08-07 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.95 Å) Cite: PanDDA analysis group deposition of ground-state model To Be Published
5PAN	Crystal Structure of Factor VIIa in complex with 5-hydroxy-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1-[3-[(phenylcarbamoylamino)methyl]phenyl]pyrazole-4-carboxamide Descriptor: 5-hydroxy-N-(1-oxo-1H-isoindol-6-yl)-1-(3-{[(phenylcarbamoyl)amino]methyl}phenyl)-1H-pyrazole-4-carboxamide, CALCIUM ION, CHLORIDE ION, ... Authors: Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G. Deposit date: 2016-11-10 Release date: 2017-06-21 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.62 Å) Cite: Crystal Structure of a Factor VIIa complex To be published
8DGU	Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC25.106 isolated from a vaccinated COVID-19 convalescent Descriptor: Antibody CC25.106 Fab heavy chain, Antibody CC25.106 Fab light chain, GLYCEROL, ... Authors: Liu, H, Wilson, I.A. Deposit date: 2022-06-24 Release date: 2023-01-25 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Broadly neutralizing anti-S2 antibodies protect against all three human betacoronaviruses that cause deadly disease. Immunity, 56, 2023
6W35	A new Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide, CALCIUM ION, ... Authors: Cuozzo, J.W. Deposit date: 2020-03-09 Release date: 2020-07-08 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Novel Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry. J.Med.Chem., 63, 2020
6SII	T. brucei FPPS in complex with 1-((1H-indol-3-yl)methyl)-N-(3-chlorobenzyl)piperidin-4-amine Descriptor: Farnesyl pyrophosphate synthase, GLYCEROL, ~{N}-[(3-chlorophenyl)methyl]-1-(1~{H}-indol-3-ylmethyl)piperidin-4-amine Authors: Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. Deposit date: 2019-08-09 Release date: 2020-08-26 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.33 Å) Cite: T. brucei FPPS To Be Published
7OHD	CRYSTAL STRUCTURE OF FERRIC MURINE NEUROGLOBIN CDLESS MUTANT Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ISOPROPYL ALCOHOL, ... Authors: Exertier, C, Freda, I, Montemiglio, L.C, Savino, C, Cerutti, G, Gugole, E, Vallone, B. Deposit date: 2021-05-10 Release date: 2022-07-13 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Probing the Role of Murine Neuroglobin CDloop-D-Helix Unit in CO Ligand Binding and Structural Dynamics. Acs Chem.Biol., 17, 2022
6XTZ	Structure of Dally-like protein in complex with O-palmitoleoyl serine Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dally-like, ... Authors: Vecchia, L, Jones, E.Y. Deposit date: 2020-01-16 Release date: 2020-07-29 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.21 Å) Cite: Glypicans shield the Wnt lipid moiety to enable signalling at a distance. Nature, 585, 2020
7OTE	Src Kinase Domain in complex with ponatinib Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, GLYCEROL, ... Authors: Soriano-Maldonado, P, Cuesta-Hernandez, H.N, Plaza-Menacho, I. Deposit date: 2021-06-10 Release date: 2022-06-22 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.49 Å) Cite: An allosteric switch between the activation loop and a c-terminal palindromic phospho-motif controls c-Src function. Nat Commun, 14, 2023
7QIK	SARS-CoV-2 Nucleocapsid phosphopeptide 193-200 bound to human 14-3-3 sigma Descriptor: 14-3-3 protein sigma, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ... Authors: Sluchanko, N.N, Tugaeva, K.V, Smith, J.L.R, Antson, A.A. Deposit date: 2021-12-15 Release date: 2021-12-29 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.01 Å) Cite: SARS-CoV-2 Nucleocapsid phosphopeptide 193-200 bound to human 14-3-3 sigma To Be Published
7OOZ	Purine nucleoside phosphorylase(DeoD-type) from H. pylori with 6-benzyloxo-2-chloropurine Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-benzyloxo-2-chloropurine, GLYCEROL, ... Authors: Narczyk, M, Stefanic, Z. Deposit date: 2021-05-28 Release date: 2022-05-04 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Interactions of 2,6-substituted purines with purine nucleoside phosphorylase from Helicobacter pylori in solution and in the crystal, and the effects of these compounds on cell cultures of this bacterium. J Enzyme Inhib Med Chem, 37, 2022

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