1O7J
 
 | | Atomic resolution structure of Erwinia chrysanthemi L-asparaginase | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, L-ASPARAGINASE, ... | | Authors: | Lubkowski, J, Dauter, M, Aghaiypour, K, Wlodawer, A, Dauter, Z. | | Deposit date: | 2002-11-07 | | Release date: | 2002-12-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Atomic Resolution Structure of Erwinia Chrysanthemi L-Asparaginase
Acta Crystallogr.,Sect.D, 59, 2003
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3DW7
 | | Crystal Structure of the Sarcin/Ricin Domain from E. COLI 23 S rRNA, U2656-SeCH3 modified | | Descriptor: | Sarcin/Ricin Domain from E. Coli 23 S rRNA | | Authors: | Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E. | | Deposit date: | 2008-07-21 | | Release date: | 2009-03-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | A fast selenium derivatization strategy for crystallization and phasing of RNA structures.
Rna, 15, 2009
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5M2K
 | | Crystal structure of vancomycin-Zn(II) complex | | Descriptor: | 1,2-ETHANEDIOL, ZINC ION, vancomycin, ... | | Authors: | Zarkan, A, Macklyne, H.-R, Chirgadze, D.Y, Bond, A.D, Hesketh, A.R, Hong, H.-J. | | Deposit date: | 2016-10-13 | | Release date: | 2017-07-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Zn(II) mediates vancomycin polymerization and potentiates its antibiotic activity against resistant bacteria.
Sci Rep, 7, 2017
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6SFQ
 | | Atomic resolution structure of human Carbonic Anhydrase II in complex with (R)-5-phenyloxazolidine-2,4-dione | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ... | | Authors: | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | | Deposit date: | 2019-08-02 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Atomic resolution structure of human Carbonic Anhydrase II in complex with (R)-5-phenyloxazolidine-2,4-dione
To Be Published
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4LN2
 | | The second SH3 domain from CAP/Ponsin in complex with proline rich peptide from Vinculin | | Descriptor: | Sorbin and SH3 domain-containing protein 1, proline rich peptide | | Authors: | Zhao, D, Li, F, Wu, J, Shi, Y, Zhang, Z, Gong, Q. | | Deposit date: | 2013-07-11 | | Release date: | 2014-05-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin
J.Struct.Biol., 187, 2014
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3U2C
 | | Aldose reductase in complex with NSAID-type inhibitor at 1.0 A resolution | | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Aldose reductase, CITRIC ACID, ... | | Authors: | Steuber, H. | | Deposit date: | 2011-10-03 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | An old NSAID revisited: crystal structure of aldose reductase in complex with sulindac at 1.0 A supports a novel mechanism for its anticancer and antiproliferative effects.
Chemmedchem, 6, 2011
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6I7Y
 | | Crystal Structure of the first bromodomain of BRD4 in complex with RT56 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, [1-[4-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium | | Authors: | Picaud, S, Traquete, R, Bernardes, G.J.L, Newman, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-11-19 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Crystal Structure of the first bromodomain of BRD4 in complex with RT56
To Be Published
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7ZAJ
 | | BRD4 in complex with FragLite16 | | Descriptor: | 4-bromanyl-1,8-naphthyridine, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-03-22 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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3TRV
 | | Crystal structure of quasiracemic villin headpiece subdomain containing (F5Phe17) substitution | | Descriptor: | D-Villin-1, ISOPROPYL ALCOHOL, L-Villin-1, ... | | Authors: | Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T. | | Deposit date: | 2011-09-11 | | Release date: | 2012-01-25 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations.
J.Am.Chem.Soc., 134, 2012
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3C1P
 | | Crystal Structure of an alternating D-Alanyl, L-Homoalanyl PNA | | Descriptor: | Peptide Nucleic Acid DLY-HGL-AGD-LHC-AGD-LHC-CUD-LYS | | Authors: | Cuesta-Seijo, J.A, Sheldrick, G.M, Zhang, J, Diederichsen, U. | | Deposit date: | 2008-01-23 | | Release date: | 2009-01-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Continuous beta-turn fold of an alternating alanyl/homoalanyl peptide nucleic acid.
Acta Crystallogr.,Sect.D, 68, 2012
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4K8Y
 | | Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with Sunflower Trypsin Inhibitor (SFTI-1) | | Descriptor: | Kallikrein-4, Trypsin inhibitor 1 | | Authors: | Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M. | | Deposit date: | 2013-04-19 | | Release date: | 2014-04-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics
Sci Rep, 6, 2016
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3U7Q
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4AWS
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5XQU
 | | Crystal structure of Notched-fin eelpout type III antifreeze protein A20I mutant (NFE6, AFP), P212121 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 (1 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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5Y2R
 | | 2.5 atm CO2-pressurized human carbonic anhydrase II | | Descriptor: | CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Kim, C.U, Park, S.Y. | | Deposit date: | 2017-07-27 | | Release date: | 2018-02-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Active-site solvent replenishment observed during human carbonic anhydrase II catalysis.
IUCrJ, 5, 2018
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1D48
 | | STRUCTURE OF THE PURE-SPERMINE FORM OF Z-DNA (MAGNESIUM FREE) AT 1 ANGSTROM RESOLUTION | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE | | Authors: | Egli, M, Williams, L.D, Gao, Q, Rich, A. | | Deposit date: | 1991-09-11 | | Release date: | 1992-04-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structure of the pure-spermine form of Z-DNA (magnesium free) at 1-A resolution.
Biochemistry, 30, 1991
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2VHA
 | | DEBP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLUTAMIC ACID, PERIPLASMIC BINDING TRANSPORT PROTEIN | | Authors: | Hu, Y.L, Fan, C.-P, Fu, G.S, Zhu, D.Y, Jin, Q, Wang, D.-C. | | Deposit date: | 2007-11-20 | | Release date: | 2008-07-08 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Crystal Structure of a Glutamate/Aspartate Binding Protein Complexed with a Glutamate Molecule: Structural Basis of Ligand Specificity at Atomic Resolution.
J.Mol.Biol., 382, 2008
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1KCC
 | | Endopolygalacturonase I from Stereum purpureum complexed with a galacturonate at 1.00 A resolution. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ENDOPOLYGALACTURONASE, ... | | Authors: | Shimizu, T, Nakatsu, T, Miyairi, K, Okuno, T, Kato, H. | | Deposit date: | 2001-11-08 | | Release date: | 2002-06-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Active-site architecture of endopolygalacturonase I from Stereum purpureum revealed by crystal structures in native and ligand-bound forms at atomic resolution.
Biochemistry, 41, 2002
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6C3T
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3A02
 | | Crystal structure of Aristaless homeodomain | | Descriptor: | CADMIUM ION, CHLORIDE ION, Homeobox protein aristaless | | Authors: | Miyazono, K, Nagata, K, Saigo, K, Kojima, T, Tanokura, M. | | Deposit date: | 2009-02-28 | | Release date: | 2010-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Cooperative DNA-binding and sequence-recognition mechanism of aristaless and clawless
Embo J., 29, 2010
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5RSL
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000365052868 | | Descriptor: | 6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine, Non-structural protein 3 | | 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 (1 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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5RT1
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039810 | | Descriptor: | 2,3-dihydro-1-benzofuran-5-carboxylic acid, Non-structural protein 3 | | 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 (1 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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5RTX
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000090873 | | Descriptor: | 3,5-dichlorobenzene-1-sulfonamide, Non-structural protein 3 | | 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 (1 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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5RSK
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000901381520_N3 | | Descriptor: | 3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-amine, Non-structural protein 3 | | 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 (1 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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5RUD
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008615114 | | Descriptor: | 4-chloro-1,3-benzothiazol-2-amine, Non-structural protein 3 | | 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 (1 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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