2QCP
 
 | | 1.0 A Structure of CusF-Ag(I) residues 10-88 from Escherichia coli | | Descriptor: | Cation efflux system protein cusF, NITRATE ION, SILVER ION, ... | | Authors: | Loftin, I.R. | | Deposit date: | 2007-06-19 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Unusual Cu(I)/Ag(I) coordination of Escherichia coli CusF as revealed by atomic resolution crystallography and X-ray absorption spectroscopy
Protein Sci., 16, 2007
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2QXI
 | | High resolution structure of Human Kallikrein 7 in Complex with Suc-Ala-Ala-Pro-Phe-chloromethylketone | | Descriptor: | Kallikrein-7, N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide | | Authors: | Debela, M, Hess, P, Magdolen, V, Schechter, N.M, Bode, W, Goettig, P. | | Deposit date: | 2007-08-11 | | Release date: | 2008-01-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Chymotryptic specificity determinants in the 1.0 A structure of the zinc-inhibited human tissue kallikrein 7.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2EWI
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2ERL
 | | PHEROMONE ER-1 FROM | | Descriptor: | ETHANOL, MATING PHEROMONE ER-1 | | Authors: | Anderson, D.H, Weiss, M.S, Eisenberg, D. | | Deposit date: | 1995-12-20 | | Release date: | 1996-07-11 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | A challenging case for protein crystal structure determination: the mating pheromone Er-1 from Euplotes raikovi.
Acta Crystallogr.,Sect.D, 52, 1996
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7UCR
 | | Joint X-ray/neutron structure of the Sarcin-Ricin loop RNA | | Descriptor: | SULFATE ION, Sarcin-Ricin loop RNA | | Authors: | Harp, J.M, Egli, M.E, Pallan, P.S, Coates, L. | | Deposit date: | 2022-03-17 | | Release date: | 2022-07-20 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1 Å), X-RAY DIFFRACTION | | Cite: | Cryo neutron crystallography demonstrates influence of RNA 2'-OH orientation on conformation, sugar pucker and water structure.
Nucleic Acids Res., 50, 2022
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5RSU
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000002055 | | Descriptor: | Non-structural protein 3, salicylamide | | 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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5RTS
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159004 | | Descriptor: | 5-phenylpyridine-3-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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5RU8
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000154817 | | Descriptor: | ISOQUINOLIN-1-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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5RUP
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004976927 | | Descriptor: | Non-structural protein 3, [3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetic 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 (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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5RV6
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158540 | | Descriptor: | 1,3-benzodioxole-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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5RS7
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000034618676 | | Descriptor: | 1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, 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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1KGK
 | | Direct Observation of a Cytosine Analog that Forms Five Hydrogen Bonds to Guanosine; Guanyl G-Clamp | | Descriptor: | 5'-D(*GP*(GCK)P*GP*TP*AP*TP*AP*CP*GP*C)-3', METHOXY-ETHOXYL, SPERMINE (FULLY PROTONATED FORM) | | Authors: | Wilds, C.J, Maier, M.A, Tereshko, V, Manoharan, M, Egli, M. | | Deposit date: | 2001-11-27 | | Release date: | 2001-12-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Direct Observation of a Cytosine Analogue that Forms Five Hydrogen Bonds to Guanosine: Guanidino G-Clamp
Angew.Chem.Int.Ed.Engl., 41, 2002
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5RSS
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006691828 | | Descriptor: | N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE, 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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1MSO
 | | T6 Human Insulin at 1.0 A Resolution | | Descriptor: | Insulin A-Chain, Insulin B-Chain, ZINC ION | | Authors: | Smith, G.D, Pangborn, W.A, Blessing, R.H. | | Deposit date: | 2002-09-19 | | Release date: | 2003-03-04 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | The structure of T6 human insulin at 1.0 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
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5RTP
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001679336 | | Descriptor: | 2-oxidanylidene-2-phenylazanyl-ethanoic 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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5RU7
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003591110 | | Descriptor: | 2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE, 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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5RUM
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008861082 | | Descriptor: | 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic 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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6Q4H
 | | CDK2 in complex with FragLite36 | | Descriptor: | 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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1VTT
 | | GT Wobble Base-Pairing in Z-DNA at 1.0 Angstrom Atomic Resolution: The Crystal Structure of d(CGCGTG) | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*TP*G)-3') | | Authors: | Ho, P.S, Frederick, C.A, Quigley, G.J, Van Der Marel, G.A, Van Boom, J.H, Wang, A.H.-J, Rich, A. | | Deposit date: | 1988-08-18 | | Release date: | 2011-07-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | GT Wobble Base-Pairing in Z-DNA at 1.0 Angstrom Atomic Resolution: The Crystal Structure of d(CGCGTG)
Embo J., 4, 1985
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7K9C
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3DJK
 | | Wild Type HIV-1 Protease with potent Antiviral inhibitor GRL-0255A | | Descriptor: | (5R)-1,3-dioxepan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, Protease, ... | | Authors: | Wang, Y.F, Weber, I.T. | | Deposit date: | 2008-06-23 | | Release date: | 2008-09-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Flexible cyclic ethers/polyethers as novel P2-ligands for HIV-1 protease inhibitors: design, synthesis, biological evaluation, and protein-ligand X-ray studies
J.Med.Chem., 51, 2008
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1W3M
 | | Crystal structure of tsushimycin | | Descriptor: | CALCIUM ION, CHLORIDE ION, Delta-3isotetradecenoic acid, ... | | Authors: | Bunkoczi, G, Vertesy, L, Sheldrick, G.M. | | Deposit date: | 2004-07-16 | | Release date: | 2005-07-27 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structure of the lipopeptide antibiotic tsushimycin.
Acta Crystallogr. D Biol. Crystallogr., 61, 2005
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5XQP
 | | Crystal structure of Notched-fin eelpout type III antifreeze protein (NFE6, AFP), P212121 form | | Descriptor: | Ice-structuring protein, SULFATE ION | | 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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5R43
 | | Crystal Structure of deuterated gamma-Chymotrypsin at pH 7.5, cryo temperature | | Descriptor: | Chymotrypsinogen A, IODIDE ION, MALONIC ACID, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5LXW
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