5SY4
 
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5RDA
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 32 | | Descriptor: | Endothiapepsin | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-03-24 | | Release date: | 2020-06-03 | | Last modified: | 2020-06-17 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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3D1P
 | | Atomic resolution structure of uncharacterized protein from Saccharomyces cerevisiae | | Descriptor: | ACETATE ION, CHLORIDE ION, Putative thiosulfate sulfurtransferase YOR285W | | Authors: | Nocek, B, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-05-06 | | Release date: | 2008-07-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Atomic resolution structure of uncharacterized protein from Saccharomyces cerevisiae.
To be Published
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5RC3
 | | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F03a | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-03-24 | | Release date: | 2020-06-03 | | Last modified: | 2020-06-17 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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1GO6
 | | Balhimycin in complex with Lys-D-ala-D-ala | | Descriptor: | (2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | | Authors: | Lehmann, C, Bunkoczi, G, Vertesy, L, Sheldrick, G.M. | | Deposit date: | 2001-10-19 | | Release date: | 2002-06-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Structures of Glycopeptide Antibiotics with Peptides that Model Bacterial Cell-Wall Precursors
J.Mol.Biol., 318, 2002
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8RC7
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4BCT
 | | Crystal structure of kiwi-fruit allergen Act d 2 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, THAUMATIN-LIKE PROTEIN | | Authors: | Pavkov-Keller, T, Bublin, M, Jankovic, M, Breiteneder, H, Keller, W. | | Deposit date: | 2012-10-03 | | Release date: | 2013-10-16 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Crystal Structure of Kiwi-Fruit Allergen Act D 2
To be Published
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1GHG
 | | CRYSTAL STRUCTURE OF VANCOMYCIN AGLYCON | | Descriptor: | ACETIC ACID, DIMETHYL SULFOXIDE, VANCOMYCIN AGLYCON | | Authors: | Kaplan, J, Korty, B.D, Axelsen, P.H, Loll, P.J. | | Deposit date: | 2000-12-13 | | Release date: | 2001-02-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | The Role of Sugar Residues in Molecular Recognition by Vancomycin
J.Med.Chem., 44, 2001
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5RDX
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 54 | | Descriptor: | Endothiapepsin | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-03-24 | | Release date: | 2020-06-03 | | Last modified: | 2020-06-17 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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1V0L
 | | Xylanase Xyn10A from Streptomyces lividans in complex with xylobio-isofagomine at pH 5.8 | | Descriptor: | ENDO-1,4-BETA-XYLANASE A, PIPERIDINE-3,4-DIOL, beta-D-xylopyranose | | Authors: | Gloster, T.M, Williams, S.J, Roberts, S, Tarling, C.A, Wicki, J, Withers, S.G, Davies, G.J. | | Deposit date: | 2004-03-31 | | Release date: | 2004-08-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Atomic Resolution Analyses of the Binding of Xylobiose-Derived Deoxynojirimycin and Isofagomine to Xylanase Xyn10A
Chem.Commun.(Camb.), 16, 2004
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5RVH
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000265642 | | Descriptor: | Non-structural protein 3, quinoline-3-carboxylic acid | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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4KXU
 | | Human transketolase in covalent complex with donor ketose D-fructose-6-phosphate | | Descriptor: | 1,2-ETHANEDIOL, D-SORBITOL-6-PHOSPHATE, MAGNESIUM ION, ... | | Authors: | Neumann, P, Luedtke, S, Ficner, R, Tittmann, K. | | Deposit date: | 2013-05-28 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate.
Nat Chem, 5, 2013
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5XJZ
 | | Structure of DNA1-Ag complex | | Descriptor: | DNA (5'-D(*GP*CP*AP*CP*GP*CP*GP*C)-3'), SILVER ION, SPERMINE | | Authors: | Liu, H.H, Gan, J.H. | | Deposit date: | 2017-05-04 | | Release date: | 2017-12-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | A DNA Structure Containing AgI -Mediated G:G and C:C Base Pairs
Angew. Chem. Int. Ed. Engl., 56, 2017
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4FPT
 | | Carbonic Anhydrase II in complex with ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate | | Descriptor: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Di Pizio, A, Heine, A, Klebe, G. | | Deposit date: | 2012-06-22 | | Release date: | 2013-07-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
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2ZPM
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4QBX
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1UNQ
 | | High resolution crystal structure of the Pleckstrin Homology Domain Of Protein Kinase B/Akt Bound To Ins(1,3,4,5)-Tetrakisphophate | | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-ALPHA SERINE/THREONINE KINASE | | Authors: | Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F. | | Deposit date: | 2003-09-12 | | Release date: | 2004-09-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change.
Biochem. J., 375, 2003
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7YZ7
 | | Crystal structure of the zebrafish FoxH1 bound to the TGTGGATT site | | Descriptor: | DNA (5'-D(*AP*GP*AP*TP*TP*GP*TP*GP*GP*AP*TP*TP*GP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*CP*AP*AP*TP*CP*CP*AP*CP*AP*AP*TP*CP*T)-3'), Forkhead box protein H1, ... | | Authors: | Pluta, R, Macias, M.J. | | Deposit date: | 2022-02-18 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1.
Nat Commun, 13, 2022
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2NLS
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4HGU
 | | Crystal Structure of Galleria mellonella Silk Protease Inhibitor 2 | | Descriptor: | SODIUM ION, Silk protease inhibitor 2 | | Authors: | Krzywda, S, Jaskolski, M, Dvornyk, A, Kludkiewicz, B, Grzelak, K, Zagorski, W, Bal, W, Kopera, E. | | Deposit date: | 2012-10-08 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Atomic resolution structure of a protein prepared by non-enzymatic His-tag removal. Crystallographic and NMR study of GmSPI-2 inhibitor.
Plos One, 9, 2014
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5XR0
 | | Crystal structure of Notched-fin eelpout type III antifreeze protein A20T mutant (NFE6, AFP), P21 form | | Descriptor: | Ice-structuring protein | | Authors: | Adachi, M, Shimizu, R, Shibazaki, C, Kondo, H, Tsuda, S. | | Deposit date: | 2017-06-07 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4F1U
 | | Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with phosphate at pH 4.5 | | Descriptor: | 1,2-ETHANEDIOL, HYDROGENPHOSPHATE ION, Putative alkaline phosphatase, ... | | Authors: | Liebschner, D, Elias, M, Tawfik, D.S, Moniot, S, Fournier, B, Scott, K, Jelsch, C, Guillot, B, Lecomte, C, Chabriere, E. | | Deposit date: | 2012-05-07 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | The molecular basis of phosphate discrimination in arsenate-rich environments.
Nature, 491, 2012
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5ZGI
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1S5M
 | | Xylose Isomerase in Substrate and Inhibitor Michaelis States: Atomic Resolution Studies of a Metal-Mediated Hydride Shift | | Descriptor: | MANGANESE (II) ION, SODIUM ION, Xylose isomerase, ... | | Authors: | Fenn, T.D, Ringe, D, Petsko, G.A. | | Deposit date: | 2004-01-21 | | Release date: | 2004-02-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Xylose isomerase in substrate and inhibitor michaelis States: atomic resolution studies of a metal-mediated hydride shift(,).
Biochemistry, 43, 2004
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5RD8
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 30 | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-03-24 | | Release date: | 2020-06-03 | | Last modified: | 2020-06-17 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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