2MNE
 
 | | Recognition complex of DNA d(CGACTAGTCG)2 with thiazotropsin analogue AIK-18/51 | | Descriptor: | 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3', AIK-18/51 | | Authors: | Alniss, H.Y, Salvia, M.-V, Sadikov, M, Golovchenko, I, Anthony, N.G, Khalaf, A.I, Mackay, S.P, Suckling, C.J, Parkinson, J.A. | | Deposit date: | 2014-04-03 | | Release date: | 2014-07-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Recognition of the DNA minor groove by thiazotropsin analogues.
Chembiochem, 15, 2014
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2R05
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1Y99
 | | HIV-1 subtype A DIS RNA duplex | | Descriptor: | 5'-R(*CP*UP*UP*GP*CP*UP*GP*AP*GP*GP*UP*GP*CP*AP*CP*AP*CP*AP*GP*CP*AP*AP*G)-3', MAGNESIUM ION | | Authors: | Ennifar, E, Yusupov, M, Walter, P, Marquet, R, Ehresmann, B, Ehresmann, C, Dumas, P. | | Deposit date: | 2004-12-15 | | Release date: | 2004-12-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structure of the dimerization initiation site of genomic HIV-1 RNA reveals an extended duplex with two adenine bulges
Structure Fold.Des., 7, 1999
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1UT6
 | | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with N-9-(1',2',3',4'-Tetrahydroacridinyl)-1,8- diaminooctane at 2.4 angstroms resolution. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE | | Authors: | Brumshtein, B, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.-P, Silman, I, Sussman, J.L. | | Deposit date: | 2003-12-04 | | Release date: | 2005-04-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge.
J.Med.Chem., 49, 2006
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4DP4
 | | The 1.54 Angstrom crystal structure of reduced (CuI) poplar plastocyanin B at pH 6.0 | | Descriptor: | COPPER (I) ION, GLYCEROL, Plastocyanin B, ... | | Authors: | Kachalova, G.S, Shosheva, A.H, Bourenkov, G.P, Donchev, A.A, Dimitrov, M.I, Bartunik, H.D. | | Deposit date: | 2012-02-13 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural comparison of the poplar plastocyanin isoforms PCa and PCb sheds new light on the role of the copper site geometry in interactions with redox partners in oxygenic photosynthesis.
J.Inorg.Biochem., 115, 2012
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6IAU
 | | Amine Dehydrogenase from Cystobacter fuscus in complex with NADP+ and cyclohexylamine | | Descriptor: | Amine Dehydrogenase, CYCLOHEXYLAMMONIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Beloti, L, Mayol, O, Turkenburg, J.P, Vaxelaire-Vergne, C, Grogan, G. | | Deposit date: | 2018-11-27 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | A family of native amine dehydrogenases for the asymmetric reductive amination of ketones
Nat Catal, 2019
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3G75
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6I2V
 | | Pilotin from Vibrio vulnificus type 2 secretion system, EpsS. | | Descriptor: | 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, SULFATE ION, ... | | Authors: | Howard, S.P, Estrozi, L, Bertrand, Q, Contreras-Martel, C, Strozen, T, Job, V, Martins, A, Fenel, D, Schoehn, G, Dessen, A. | | Deposit date: | 2018-11-02 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure and assembly of pilotin-dependent and -independent secretins of the type II secretion system.
Plos Pathog., 15, 2019
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5R4N
 | | PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000061a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-acetyl-N-ethylpiperazine-1-carboxamide, DIMETHYL SULFOXIDE, ... | | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2020-02-24 | | Release date: | 2020-04-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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4DJB
 | | A Structural Basis for the Assembly and Functions of a Viral Polymer that Inactivates Multiple Tumor Suppressors | | Descriptor: | E4-ORF3 | | Authors: | Ou, H.D, Kwiatkowski, W, Deerinck, T.J, Noske, A, Blain, K.Y, Land, H.S, Soria, C, Powers, C.J, May, A.P, Shu, X, Tsien, R.Y, Fitzpatrick, J.A.J, Long, J.A, Ellisman, M.H, Choe, S, O'Shea, C.C. | | Deposit date: | 2012-02-01 | | Release date: | 2012-10-31 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.053 Å) | | Cite: | A Structural Basis for the Assembly and Functions of a Viral Polymer that Inactivates Multiple Tumor Suppressors.
Cell(Cambridge,Mass.), 151, 2012
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1LPA
 | | INTERFACIAL ACTIVATION OF THE LIPASE-PROCOLIPASE COMPLEX BY MIXED MICELLES REVEALED BY X-RAY CRYSTALLOGRAPHY | | Descriptor: | CALCIUM ION, COLIPASE, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Van Tilbeurgh, H, Egloff, M.-P, Cambillau, C. | | Deposit date: | 1994-08-19 | | Release date: | 1994-11-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Interfacial activation of the lipase-procolipase complex by mixed micelles revealed by X-ray crystallography.
Nature, 362, 1993
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4M3H
 | | Crystal structure of small laccase Ssl1 from Streptomyces sviceus | | Descriptor: | COPPER (II) ION, Copper oxidase, OXYGEN ATOM | | Authors: | Gunne, M, Hoeppner, A, Hagedoorn, P.-L, Urlacher, V.B. | | Deposit date: | 2013-08-06 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and redox properties of the small laccase Ssl1 from Streptomyces sviceus.
Febs J., 281, 2014
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3O00
 | | Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD-C244S | | Descriptor: | Cell invasion protein sipD, NICKEL (II) ION | | Authors: | Chatterjee, S, Zhong, D, Nordhues, B.A, Battaile, K.P, Lovell, S, DeGuzman, R.N. | | Deposit date: | 2010-07-18 | | Release date: | 2010-11-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate.
Protein Sci., 20, 2011
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1LSI
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1YDZ
 | | T-To-T(High) quaternary transitions in human hemoglobin: alphaY140F oxy (2MM IHP, 20% PEG) (1 test set) | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | | Deposit date: | 2004-12-27 | | Release date: | 2005-01-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
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3G98
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1YEA
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4DM3
 | | Crystal structure of human PNMT in complex adohcy, resorcinol and imidazole | | Descriptor: | IMIDAZOLE, Phenylethanolamine N-methyltransferase, RESORCINOL, ... | | Authors: | Nair, P.C, Malde, A.K, Mark, A.E. | | Deposit date: | 2012-02-06 | | Release date: | 2012-04-25 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.4001 Å) | | Cite: | Missing fragments: detecting cooperative binding in fragment-based drug design.
ACS Med Chem Lett, 3, 2012
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2MH0
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5XDI
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5R4L
 | | PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000349a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, N-{4-[(morpholin-4-yl)methyl]phenyl}acetamide, ... | | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2020-02-24 | | Release date: | 2020-04-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5R4V
 | | XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13475a | | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Zhang, R, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2020-02-28 | | Release date: | 2020-05-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | XChem fragment screen
To Be Published
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4DD2
 | | EVAL processed HEWL, carboplatin aqueous glycerol | | Descriptor: | GLYCEROL, Lysozyme C | | Authors: | Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. | | Deposit date: | 2012-01-18 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
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4DEE
 | | Aurora A in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, MAGNESIUM ION | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2012-01-20 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors.
J.Med.Chem., 55, 2012
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3GC6
 | | Structural insights into the catalytic mechanism of CD38: Evidence for a conformationally flexible covalent enzyme-substrate complex. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ecto-NAD+ glycohydrolase (CD38 molecule), SULFATE ION | | Authors: | Egea, P.F, Muller-Steffner, H, Stroud, R.M, Oppenheimer, N, Kellenberger, E, Schuber, F. | | Deposit date: | 2009-02-21 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Insights into the mechanism of bovine CD38/NAD+glycohydrolase from the X-ray structures of its Michaelis complex and covalently-trapped intermediates.
Plos One, 7, 2012
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