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3GMW	Crystal Structure of Beta-Lactamse Inhibitory Protein-I (BLIP-I) in Complex with TEM-1 Beta-Lactamase Descriptor: B-lactamase, Beta-lactamase inhibitory protein BLIP-I, PHOSPHATE ION Authors: Lim, D.C, Gretes, M, Strynadka, N.C.J. Deposit date: 2009-03-15 Release date: 2009-03-31 Last modified: 2017-11-01 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Insights into positive and negative requirements for protein-protein interactions by crystallographic analysis of the beta-lactamase inhibitory proteins BLIP, BLIP-I, and BLP. J.Mol.Biol., 389, 2009
4NLW	Poliovirus Polymerase - G289A/C290I Loop Mutant Descriptor: ACETIC ACID, PENTAETHYLENE GLYCOL, RNA-directed RNA polymerase 3D-POL, ... Authors: Sholders, A.J, Peersen, O.B. Deposit date: 2013-11-14 Release date: 2014-01-22 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Distinct conformations of a putative translocation element in poliovirus polymerase. J.Mol.Biol., 426, 2014
4HIO	Crystal Structure of Schizosaccharomyces pombe Pot1pC bound to ssDNA (GGTAACGGT) Descriptor: DNA (5'-D(*GP*GP*TP*AP*AP*CP*GP*GP*T)-3'), Protection of telomeres protein 1 Authors: Dickey, T.H, McKercher, M.A, Wuttke, D.S. Deposit date: 2012-10-11 Release date: 2012-12-12 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.753 Å) Cite: Nonspecific Recognition Is Achieved in Pot1pC through the Use of Multiple Binding Modes. Structure, 21, 2013
3GQ2	Crystal Structure of the Dimer of the p115 Tether Globular Head Domain Descriptor: General vesicular transport factor p115 Authors: An, Y, Elsliger, M.A, Wilson, I.A. Deposit date: 2009-03-23 Release date: 2009-11-03 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.18 Å) Cite: Structural and functional analysis of the globular head domain of p115 provides insight into membrane tethering. J.Mol.Biol., 391, 2009
4NME	Crystal structure of proline utilization A (PutA) from Geobacter sulfurreducens PCA inactivated by N-propargylglycine Descriptor: 1,2-ETHANEDIOL, N-propargylglycine-modified flavin adenine dinucleotide, Proline dehydrogenase and Delta-1-pyrroline-5-carboxylate dehydrogenase Authors: Singh, H, Tanner, J.J. Deposit date: 2013-11-14 Release date: 2014-02-19 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.088 Å) Cite: Structures of the PutA peripheral membrane flavoenzyme reveal a dynamic substrate-channeling tunnel and the quinone-binding site. Proc.Natl.Acad.Sci.USA, 111, 2014
4HJ4	Crystal Structure of Rhodobacter Sphaeroides LOV protein Descriptor: FLAVIN MONONUCLEOTIDE, LOV protein Authors: Crane, B.R, Conrad, K.S, Bilwes, A.M. Deposit date: 2012-10-12 Release date: 2013-01-16 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.703 Å) Cite: Light-induced subunit dissociation by a light-oxygen-voltage domain photoreceptor from Rhodobacter sphaeroides. Biochemistry, 52, 2013
2OLK	ABC Protein ArtP in complex with ADP-beta-S Descriptor: 5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADENOSINE, Amino acid ABC transporter Authors: Thaben, P.F, Eckey, V, Scheffel, F, Saenger, W, Schneider, E, Vahedi-Faridi, A. Deposit date: 2007-01-19 Release date: 2008-01-15 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal structures of the ATP-binding cassette (ABC) protein ArtP from Geobacillus stearothermophilus reveal a stable dimer in the post hydrolysis state and an asymmetry in the dimerization region To be Published
3GUE	Crystal Structure of UDP-glucose phosphorylase from Trypanosoma Brucei, (Tb10.389.0330) Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, SULFATE ION, ... Authors: Wernimont, A.K, Marino, K, Lin, Y.H, Mackenzie, F, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Amani, M, Structural Genomics Consortium (SGC) Deposit date: 2009-03-29 Release date: 2009-08-18 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.92 Å) Cite: Crystal Structure of UDP-glucose phosphorylase from Trypanosoma Brucei, (Tb10.389.0330) To be Published
5RSB	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001674697 Descriptor: 7-methyl-7H-pyrrolo[2,3-d]pyrimidin-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
2EXU	Crystal Structure of Saccharomyces cerevisiae transcription elongation factors Spt4-Spt5NGN domain Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ETHANOL, Transcription initiation protein SPT4/SPT5, ... Authors: Xu, F, Guo, M, Fang, P, Teng, M, Niu, L. Deposit date: 2005-11-08 Release date: 2006-11-08 Last modified: 2017-08-23 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Crystal Structure of Saccharomyces cerevisiae transcription elongation factors Spt4-Spt5NGN domain To be published
4NR3	Crystal Structure of a human Mms2/Ubc13 L121G mutant Descriptor: Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 2 Authors: Hodge, C.D, Edwards, R.A, Glover, J.N.M. Deposit date: 2013-11-26 Release date: 2014-12-10 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.802 Å) Cite: Stochastic gate dynamics regulate the catalytic activity of ubiquitination enzymes. J.Am.Chem.Soc., 136, 2014
5RSQ	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158490 Descriptor: 5-methyl-3-phenyl-1,2-oxazole-4-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
4NLY	Poliovirus Polymerase - C290E Loop Mutant Descriptor: ACETIC ACID, PENTAETHYLENE GLYCOL, RNA-directed RNA polymerase 3D-POL, ... Authors: Sholders, A.J, Peersen, O.B. Deposit date: 2013-11-14 Release date: 2014-01-22 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Distinct conformations of a putative translocation element in poliovirus polymerase. J.Mol.Biol., 426, 2014
5RT6	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000156509 Descriptor: 2-(3,4-dichlorophenyl)ethanoic acid, DIMETHYL SULFOXIDE, 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
2OMT	Crystal structure of InlA G194S+S/hEC1 complex Descriptor: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin; E-Cad/CTF1, ... Authors: Wollert, T, Heinz, D.W, Schubert, W.D. Deposit date: 2007-01-23 Release date: 2007-08-28 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2 Å) Cite: Thermodynamically reengineering the listerial invasion complex InlA/E-cadherin. Proc.Natl.Acad.Sci.Usa, 104, 2007
4NMF	Crystal structure of proline utilization A (PutA) from Geobacter sulfurreducens PCA inactivated by N-propargylglycine and complexed with menadione bisulfite Descriptor: (2R)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid, (2S)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid, 1,2-ETHANEDIOL, ... Authors: Singh, H, Tanner, J.J. Deposit date: 2013-11-14 Release date: 2014-02-19 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Structures of the PutA peripheral membrane flavoenzyme reveal a dynamic substrate-channeling tunnel and the quinone-binding site. Proc.Natl.Acad.Sci.USA, 111, 2014
2FDS	Crystal Structure of Plasmodium Berghei Orotidine 5'-monophosphate Decarboxylase (ortholog of Plasmodium falciparum PF10_0225) Descriptor: IODIDE ION, orotidine-monophosphate-decarboxylase Authors: Qiu, W, Dong, A, Wasney, G, Vedadi, M, Lew, J, Kozieradski, I, Alam, Z, Melone, M, Weigelt, J, Sundstrom, M, Edwards, A, Arrowsmith, C, Hui, R, Gao, M, Bochkarev, A, Artz, J.D, Structural Genomics Consortium (SGC) Deposit date: 2005-12-14 Release date: 2005-12-20 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.72 Å) Cite: Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
4HM5	Naphthalene 1,2-Dioxygenase bound to indene Descriptor: 1,2-ETHANEDIOL, 2,3-dihydro-1H-indene, FE (III) ION, ... Authors: Ferraro, D.J, Ramaswamy, S. Deposit date: 2012-10-17 Release date: 2013-10-30 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Naphthalene 1,2-Dioxygenase bound to indene To be Published
5RTM	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000002005 Descriptor: Non-structural protein 3, PYRAZINE-2-CARBOXAMIDE 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
3GV9	AmpC beta-lactamase in complex with Fragment-based Inhibitor Descriptor: 3-(acetylamino)thiophene-2-carboxylic acid, Beta-lactamase, DI(HYDROXYETHYL)ETHER, ... Authors: Teotico, D.T, Shoichet, B.K. Deposit date: 2009-03-30 Release date: 2009-04-14 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Docking for fragment inhibitors of AmpC beta-lactamase Proc.Natl.Acad.Sci.USA, 106, 2009
3Q9Z	Crystal structure of human CK2 alpha in complex with Quinalizarin at pH 6.5 Descriptor: 1,2,5,8-tetrahydroxyanthracene-9,10-dione, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... Authors: Battistutta, R, Ranchio, A, Papinutto, E. Deposit date: 2011-01-10 Release date: 2012-01-11 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural and functional analysis of the flexible regions of the catalytic alpha-subunit of protein kinase CK2 To be Published
4HSN	Crystal structure of DAH7PS from Neisseria meningitidis Descriptor: 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, MANGANESE (II) ION, PHOSPHOENOLPYRUVATE, ... Authors: Cross, P.J, Pietersma, A.L, Allison, T.M, Wilson-Coutts, S.M, Cochrane, F.C, Parker, E.J. Deposit date: 2012-10-30 Release date: 2013-09-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Neisseria meningitidis expresses a single 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase that is inhibited primarily by phenylalanine. Protein Sci., 22, 2013
5RU0	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388514 Descriptor: (2,6-DICHLOROPHENYL)ACETIC 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
5RUH	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000123600 Descriptor: (2,6-dichlorophenoxy)acetic 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
5RUY	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013517187 Descriptor: Non-structural protein 3, XANTHINE 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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