PDB: 244693 resultsInfo pagesStatus searchChemie searchBIRD

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7H24	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1165350851 Descriptor: 4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, 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 (1.64 Å) Cite: PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
6A98	Crystal structure of a cyclase from Fischerella sp. TAU Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, aromatic prenyltransferase, ... Authors: Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. Deposit date: 2018-07-12 Release date: 2018-12-19 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.82 Å) Cite: The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
7H1Q	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z119990326 Descriptor: 5-(thiophen-2-yl)-4H-1,2,4-triazol-3-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 (1.411 Å) Cite: PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
6D8V	Methyl-accepting Chemotaxis protein X Descriptor: 1,1-DIMETHYL-PROLINIUM, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Probable chemoreceptor (Methyl-accepting chemotaxis) transmembrane protein Authors: Shrestha, M, Schubot, F.D. Deposit date: 2018-04-27 Release date: 2019-04-17 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structure of the sensory domain of McpX fromSinorhizobium meliloti, the first known bacterial chemotactic sensor for quaternary ammonium compounds. Biochem. J., 475, 2018
7KZD	Crystal structure of KabA from Bacillus cereus UW85 in complex with the reduced internal aldimine and with bound Glutarate Descriptor: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 1,2-ETHANEDIOL, Aminotransferase class I/II-fold pyridoxal phosphate-dependent enzyme, ... Authors: Prasertanan, T, Palmer, D.R.J, Sanders, D.A.R. Deposit date: 2020-12-10 Release date: 2021-05-26 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Snapshots along the catalytic path of KabA, a PLP-dependent aminotransferase required for kanosamine biosynthesis in Bacillus cereus UW85. J.Struct.Biol., 213, 2021
7H1J	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z68299550 Descriptor: 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, 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 (1.55 Å) Cite: PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
7L0E	Crystal structure of bovine RPE65 in complex with gem-difluoro emixustat and palmitate Descriptor: (1R)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol, FE (II) ION, PALMITIC ACID, ... Authors: Kiser, P.D. Deposit date: 2020-12-11 Release date: 2021-06-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy. J.Med.Chem., 64, 2021
7H22	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1102357527 Descriptor: DIMETHYL SULFOXIDE, N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide, 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 (1.554 Å) Cite: PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
7H1T	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z362020366 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 (1.419 Å) Cite: PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
8OIS	28S human mitochondrial small ribosomal subunit with mtRF1 and P-site tRNA Descriptor: 12S rRNA, 28S ribosomal protein S10, mitochondrial, ... Authors: Saurer, M, Leibundgut, M, Scaiola, A, Schoenhut, T, Ban, N. Deposit date: 2023-03-23 Release date: 2023-06-14 Last modified: 2024-04-24 Method: ELECTRON MICROSCOPY (3 Å) Cite: Molecular basis of translation termination at noncanonical stop codons in human mitochondria. Science, 380, 2023
7H2D	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1397964787 Descriptor: 2-cyclopropyl-1~{H}-imidazole-4-carboxamide, 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 (1.566 Å) Cite: PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
4BTF	Structure of MLKL Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, MIXED LINEAGE KINASE DOMAIN-LIKE PROTEIN Authors: Czabotar, P.E, Murphy, J.M. Deposit date: 2013-06-16 Release date: 2013-09-18 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.604 Å) Cite: The Pseudokinase Mlkl Mediates Necroptosis Via a Molecular Switch Mechanism Immunity, 39, 2013
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
7H1S	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z57477251 Descriptor: 4-(piperazin-1-yl)quinoline, 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 (1.376 Å) Cite: PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
5B6T	Catalytic domain of Coprinopsis cinerea GH62 alpha-L-arabinofuranosidase complexed with Pb Descriptor: CALCIUM ION, GLYCEROL, Glycosyl hydrolase family 62 protein, ... Authors: Tonozuka, T. Deposit date: 2016-06-01 Release date: 2016-09-07 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.48 Å) Cite: Structure of the Catalytic Domain of alpha-L-Arabinofuranosidase from Coprinopsis cinerea, CcAbf62A, Provides Insights into Structure-Function Relationships in Glycoside Hydrolase Family 62 Appl. Biochem. Biotechnol., 181, 2017
7H1W	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z270834034 Descriptor: (2R)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)propan-1-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 (1.396 Å) Cite: PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
7H2N	PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z228587394 Descriptor: 4-methoxy-2-(piperazin-1-yl)pyrimidine, 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 (1.73 Å) Cite: PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
4Y0V	Structure of an ADP ribosylation factor from Entamoeba histolytica HM-1:IMSS bound to Mg-GDP Descriptor: ADP-ribosylation factor 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2015-02-06 Release date: 2015-03-04 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure of an ADP-ribosylation factor, ARF1, from Entamoeba histolytica bound to Mg(2+)-GDP. Acta Crystallogr.,Sect.F, 71, 2015
6FUT	Complement factor D in complex with the inhibitor (S)-3'-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,1'-biphenyl]-3-carboxamide Descriptor: 3-[3-(aminomethyl)phenyl]-~{N}-[(1~{S})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide, Complement factor D, SUCCINIC ACID Authors: Mac Sweeney, A, Vulpetti, A, Erbel, P, Lorthiois, E, Maibaum, J, Randl, S. Deposit date: 2018-02-27 Release date: 2018-06-06 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D. ACS Med Chem Lett, 9, 2018
6S86	Human wtSTING in complex with 3'3'-c-di-GMP Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Stimulator of Interferon genes Authors: Smola, M, Boura, E. Deposit date: 2019-07-08 Release date: 2019-07-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.6 Å) Cite: No magnesium is needed for binding of the stimulator of interferon genes to cyclic dinucleotides. Acta Crystallogr.,Sect.F, 75, 2019
6PA5	ECAII(T89V,K162T) MUTANT IN COMPLEX WITH L-ASN AT PH 8.3 IN SPACE GROUP P2(1) Descriptor: ASPARAGINE, GLYCEROL, IMIDAZOLE, ... Authors: Lubkowski, J, Wlodawer, A. Deposit date: 2019-06-11 Release date: 2019-09-04 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase. Protein Sci., 28, 2019
6DC4	RSV-neutralizing human antibody AM22 Descriptor: 1,2-ETHANEDIOL, Fab AM22 Heavy Chain, Fab AM22 Light Chain Authors: Jones, H.G, McLellan, J.S. Deposit date: 2018-05-04 Release date: 2019-07-10 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Alternative conformations of a major antigenic site on RSV F. Plos Pathog., 15, 2019
5XMW	Selenomethionine-derivated ZHD Descriptor: Zearalenone lactonase Authors: Hu, X.J. Deposit date: 2017-05-16 Release date: 2018-04-25 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (3 Å) Cite: The structure of a complex of the lactonohydrolase zearalenone hydrolase with the hydrolysis product of zearalenone at 1.60 angstrom resolution Acta Crystallogr F Struct Biol Commun, 73, 2017
9CV2	Crystal structure of the metallo-beta-lactamase VIM-20 with D-captopril Descriptor: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, Metallo-beta-lactamase VIM-20, ZINC ION Authors: Silwal, S.B, Nix, J.C, Page, R.C. Deposit date: 2024-07-28 Release date: 2025-07-09 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Mutation of an active site-adjacent residue in VIM indirectly dictates interactions with and blunts inhibition by D-captopril. J.Inorg.Biochem., 271, 2025
6S89	Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19g Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide Authors: Niggenaber, J, Mueller, M.P, Rauh, D. Deposit date: 2019-07-09 Release date: 2019-10-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.701 Å) Cite: Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019

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