PDB: 244693 resultsInfo pagesStatus searchChemie searchBIRD

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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
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
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
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
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
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
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
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
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
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
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
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
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
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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