4OSI
 
 | | Crystal structure of the TAL effector dHax3 with NI RVD at 2.8 angstrom resolution | | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3 | | Authors: | Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N. | | Deposit date: | 2014-02-13 | | Release date: | 2014-05-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.849 Å) | | Cite: | Revisiting the TALE repeat
Protein Cell, 5, 2014
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4OUI
 | | Structure of Vibrio cholerae chitin de-N-acetylase in complex with TRIACETYLCHITOTRIOSE (CTO) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Deacetylase DA1, ... | | Authors: | Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E. | | Deposit date: | 2014-02-17 | | Release date: | 2014-08-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Structural basis of chitin oligosaccharide deacetylation.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4OT1
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3UZA
 | | Thermostabilised Adenosine A2A receptor in complex with 6-(2,6-Dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine | | Descriptor: | 6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine, Adenosine receptor A2a | | Authors: | Congreve, M, Andrews, S.P, Dore, A.S, Hollenstein, K, Hurrell, E, Langmead, C.J, Mason, J.S, Ng, I.W, Tehan, B, Zhukov, A, Weir, M, Marshall, F.H. | | Deposit date: | 2011-12-07 | | Release date: | 2012-03-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.273 Å) | | Cite: | Discovery of 1,2,4-Triazine Derivatives as Adenosine A(2A) Antagonists using Structure Based Drug Design
J.Med.Chem., 55, 2012
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4OV8
 | | Crystal Structure of the TMH1-lock mutant of the mature form of pleurotolysin B | | Descriptor: | CHLORIDE ION, GLYCEROL, Pleurotolysin B, ... | | Authors: | Kondos, S.C, Law, R.H.P, Whisstock, J.C, Dunstone, M.A. | | Deposit date: | 2014-02-20 | | Release date: | 2015-02-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Conformational Changes during Pore Formation by the Perforin-Related Protein Pleurotolysin
Plos Biol., 13, 2015
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4OTV
 | | Crystal structure of in cellulo Operophtera brumata CPV18 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Stuart, D.I, Sutton, G.C, Axford, D, Ji, X. | | Deposit date: | 2014-02-14 | | Release date: | 2014-05-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In cellulo structure determination of a novel cypovirus polyhedrin.
Acta Crystallogr.,Sect.D, 70, 2014
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3UY4
 | | Crystal Structure of Pantoate--Beta-Alanine Ligase from Campylobacter jejuni complexed with AMP and vitamin B5 | | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, PANTOTHENOIC ACID, ... | | Authors: | Kim, Y, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-12-05 | | Release date: | 2011-12-28 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Crystal Structure of Pantoate--Beta-Alanine Ligase from Campylobacter jejuni complexed with AMP and vitamin B5
To be Published
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3V08
 | | Crystal structure of Equine Serum Albumin | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, SULFATE ION, ... | | Authors: | Dayal, A, Jablonska, K, Porebski, P.J, Majorek, K.A, Chruszcz, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-12-07 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural and immunologic characterization of bovine, horse, and rabbit serum albumins.
Mol.Immunol., 52, 2012
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4OW1
 | | Crystal Structure of Resuscitation Promoting Factor C | | Descriptor: | 1,2-ETHANEDIOL, Resuscitation-promoting factor RpfC | | Authors: | Chauviac, F.X, Quay, D.H.X, Cohen-Gonsaud, M, Keep, N.H. | | Deposit date: | 2014-01-29 | | Release date: | 2014-06-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The RpfC (Rv1884) atomic structure shows high structural conservation within the resuscitation-promoting factor catalytic domain.
Acta Crystallogr.,Sect.F, 70, 2014
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3UYJ
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4OU8
 | | Crystal structure of apocarotenoid oxygenase in the presence of C8E6 | | Descriptor: | Apocarotenoid-15,15'-oxygenase, CHLORIDE ION, FE (II) ION | | Authors: | Sui, X, Shi, W, Palczewski, K, Kiser, P.D. | | Deposit date: | 2014-02-15 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Analysis of Carotenoid Isomerase Activity in a Prototypical Carotenoid Cleavage Enzyme, Apocarotenoid Oxygenase (ACO).
J.Biol.Chem., 289, 2014
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3UZ0
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4OWO
 | | Anthranilate phosphoribosyl transferase from Mycobacterium tuberculosis in complex with 6-fluoroanthranilate, PRPP and Magnesium | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-azanyl-6-fluoranyl-benzoic acid, Anthranilate phosphoribosyltransferase, ... | | Authors: | Castell, A, Cookson, T.V.M, Short, F.L, Lott, J.S. | | Deposit date: | 2014-02-02 | | Release date: | 2014-04-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Alternative substrates reveal catalytic cycle and key binding events in the reaction catalysed by anthranilate phosphoribosyltransferase from Mycobacterium tuberculosis.
Biochem.J., 461, 2014
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4OX6
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3UZR
 | | Crystal structure of aminoglycoside phosphotransferase APH(2'')-Ib, apo form | | Descriptor: | 1,2-ETHANEDIOL, Aminoglycoside phosphotransferase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Stogios, P.J, Minasov, G, Singer, A.U, Tan, K, Nocek, B, Evdokimova, E, Egorova, E, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-12-07 | | Release date: | 2011-12-21 | | Last modified: | 2011-12-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of aminoglycoside phosphotransferase APH(2'')-Ib, apo form
TO BE PUBLISHED
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2R9N
 | | Cathepsin S complexed with Compound 26 | | Descriptor: | Cathepsin S, N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | | Deposit date: | 2007-09-13 | | Release date: | 2007-12-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
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4OXK
 | | Multiple binding modes of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA within a tetramer | | Descriptor: | 3,6,9,12,15-pentaoxaoctadecan-17-amine, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | Deposit date: | 2014-02-05 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8429 Å) | | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
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3V06
 | | Crystal structure of S-6'-Me-3'-fluoro hexitol nucleic acid | | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(F5H)P*AP*CP*GP*C)-3'), STRONTIUM ION | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2011-12-07 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Insights from crystal structures into the opposite effects on RNA affinity caused by the s- and R-6'-methyl backbone modifications of 3'-fluoro hexitol nucleic Acid.
Biochemistry, 51, 2012
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4OWY
 | | Crystal Structure of Ahp1 from Saccharomyces cerevisiae. Investigating the electron transfers. | | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, Peroxiredoxin type-2, ... | | Authors: | Schultz, L, Genu, V, Breyer, C.A, dos Santos, V.F, Guimaraes, B.G, Netto, L.E.S, de Oliveira, M.A. | | Deposit date: | 2014-02-04 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of Ahp1 from Saccharomyces cerevisiae. Investigating the electron transfers.
To be published
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3UJJ
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4OYN
 | | Fifteen minutes iron loaded human H ferritin | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICINE, CHLORIDE ION, ... | | Authors: | Pozzi, C, Di Pisa, F, Mangani, S. | | Deposit date: | 2014-02-12 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Iron binding to human heavy-chain ferritin.
Acta Crystallogr.,Sect.D, 71, 2015
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3V0I
 | | Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 256-576, E411F | | Descriptor: | SULFATE ION, Voltage-sensor containing phosphatase | | Authors: | Liu, L, Kohout, S.C, Xu, Q, Muller, S, Kimberlin, C, Isacoff, E.Y, Minor, D.L. | | Deposit date: | 2011-12-08 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A glutamate switch controls voltage-sensitive phosphatase function.
Nat.Struct.Mol.Biol., 19, 2012
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4OXC
 | | Crystal structure of XIAP BIR1 domain | | Descriptor: | E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Milani, M, Cossu, F, Mastrangelo, E. | | Deposit date: | 2014-02-05 | | Release date: | 2015-02-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | NF023 binding to XIAP-BIR1: Searching drugs for regulation of the NF-kappa B pathway.
Proteins, 83, 2015
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4OYV
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3V0U
 | | Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding | | Descriptor: | Perakine reductase | | Authors: | Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J. | | Deposit date: | 2011-12-08 | | Release date: | 2012-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding.
J.Biol.Chem., 287, 2012
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