3TPK
 
 | | Crystal structure of the oligomer-specific KW1 antibody fragment | | Descriptor: | 1,2-ETHANEDIOL, BENZAMIDINE, Immunoglobulin heavy chain antibody variable domain KW1 | | Authors: | Parthier, C, Morgado, I, Stubbs, M.T, Fandrich, M. | | Deposit date: | 2011-09-08 | | Release date: | 2012-07-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Molecular basis of beta-amyloid oligomer recognition with a conformational antibody fragment.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4HJY
 | | 2.4 A Crystal structure of E. coli MltE-E64Q with bound chitopentaose | | Descriptor: | 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, 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endo-type membrane-bound lytic murein transglycosylase A | | Authors: | Fibriansah, G, Gliubich, F.I, Thunnissen, A.-M.W.H. | | Deposit date: | 2012-10-14 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | On the Mechanism of Peptidoglycan Binding and Cleavage by the endo-Specific Lytic Transglycosylase MltE from Escherichia coli.
Biochemistry, 51, 2012
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2LBI
 | | N2-dG:N2-dG interstrand cross-link induced by trans-4-hydroxynonenal | | Descriptor: | (4S)-nonane-1,4-diol, DNA (5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*TP*CP*GP*CP*TP*AP*GP*C)-3') | | Authors: | Huang, H, Kozekov, I.D, Wang, H, Kozekova, A, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2011-03-31 | | Release date: | 2012-04-04 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Formation of a N2-dG:N2-dG carbinolamine DNA cross-link by the trans-4-hydroxynonenal-derived (6S,8R,11S) 1,N2-dG adduct.
J.Am.Chem.Soc., 133, 2011
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4I8W
 | | Crystal structure of wild type HIV-1 protease in complex with non-peptidic inhibitor, GRL007 | | Descriptor: | 4-{[(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](2-methylpropyl)sulfamoyl}benzoic acid, Protease | | Authors: | Yedidi, R.S, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2012-12-04 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety.
Antimicrob.Agents Chemother., 57, 2013
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3U2I
 | | X-ray crystal structure of human Transthyretin at room temperature | | Descriptor: | Transthyretin | | Authors: | Yokoyama, T, Mizuguchi, M, Nabeshima, Y, Kusaka, K, Yamada, T, Hosoya, T, Ohhara, T, Kurihara, K, Tomoyori, K, Tanaka, I, Niimura, N. | | Deposit date: | 2011-10-03 | | Release date: | 2012-02-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Hydrogen-bond network and pH sensitivity in transthyretin: Neutron crystal structure of human transthyretin
J.Struct.Biol., 177, 2012
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4HSE
 | | Crystal structure of ClpB NBD1 in complex with guanidinium chloride and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Chaperone protein ClpB, ... | | Authors: | Zeymer, C, Werbeck, N.D, Schlichting, I, Reinstein, J. | | Deposit date: | 2012-10-30 | | Release date: | 2013-01-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The molecular mechanism of hsp100 chaperone inhibition by the prion curing agent guanidinium chloride.
J.Biol.Chem., 288, 2013
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3TLJ
 | | Crystal structure of Trm14 from Pyrococcus furiosus in complex with S-adenosyl-L-homocysteine | | Descriptor: | ACETATE ION, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine N2-)-methyltransferase Trm14 | | Authors: | Fislage, M, Roovers, M, Tuszynska, I, Bujnicki, J.M, Droogmans, L, Versees, W. | | Deposit date: | 2011-08-30 | | Release date: | 2012-03-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of the tRNA:m2G6 methyltransferase Trm14/TrmN from two domains of life.
Nucleic Acids Res., 40, 2012
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3TM5
 | | Crystal structure of Trm14 from Pyrococcus furiosus in complex with sinefungin | | Descriptor: | Crystal structure of Trm14, SINEFUNGIN | | Authors: | Fislage, M, Roovers, M, Tuszynska, I, Bujnicki, J.M, Droogmans, L, Versees, W. | | Deposit date: | 2011-08-31 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structures of the tRNA:m2G6 methyltransferase Trm14/TrmN from two domains of life.
Nucleic Acids Res., 40, 2012
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4HTV
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3TZH
 | | Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG)(F187A) from Vibrio cholerae | | Descriptor: | 3-oxoacyl-[acyl-carrier protein] reductase, GLYCEROL, SULFATE ION, ... | | Authors: | Hou, J, Chruszcz, M, Zheng, H, Cooper, D.R, Osinski, T, Shumilin, I, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-09-27 | | Release date: | 2011-10-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: |
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3U71
 | | Crystal Structure Analysis of South African wild type HIV-1 Subtype C Protease | | Descriptor: | HIV-1 Protease | | Authors: | Naicker, P, Fanucchi, S, Achilonu, I.A, Fernandes, M.A, Dirr, H.W, Sayed, Y. | | Deposit date: | 2011-10-13 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Crystal structure analysis of South African wild type HIV-1 subtype C apo protease
To be Published
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3U7R
 | | FerB - flavoenzyme NAD(P)H:(acceptor) oxidoreductase (FerB) from Paracoccus denitrificans | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, NADPH-dependent FMN reductase, NONAETHYLENE GLYCOL | | Authors: | Marek, J, Klumpler, T, Sedlacek, V, Kucera, I. | | Deposit date: | 2011-10-14 | | Release date: | 2012-10-24 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Structural and Functional Basis of Catalysis Mediated by NAD(P)H:acceptor Oxidoreductase (FerB) of Paracoccus denitrificans.
Plos One, 9, 2014
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3TLP
 | | Crystal structure of the fourth bromodomain of human poly-bromodomain containing protein 1 (PB1) | | Descriptor: | NICKEL (II) ION, Protein polybromo-1 | | Authors: | Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Krojer, T, Allerston, C.K, Latwiel, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-08-30 | | Release date: | 2011-09-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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4I9A
 | | Crystal Structure of Sus scrofa Quinolinate Phosphoribosyltransferase in Complex with Nicotinate Mononucleotide | | Descriptor: | NICOTINATE MONONUCLEOTIDE, quinolinate phosphoribosyltransferase | | Authors: | Youn, H.-S, Kim, M.-K, Kang, K.B, Kim, T.G, Lee, J.-G, An, J.Y, Park, K.R, Lee, Y, Kang, J.Y, Song, H.E, Park, I, Cho, C, Fukuoka, S, Eom, S.H. | | Deposit date: | 2012-12-05 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.096 Å) | | Cite: | Crystal structure of Sus scrofa quinolinate phosphoribosyltransferase in complex with nicotinate mononucleotide
Plos One, 8, 2013
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4HTM
 | | Mechanism of CREB Recognition and Coactivation by the CREB Regulated Transcriptional Coactivator CRTC2 | | Descriptor: | CREB-regulated transcription coactivator 2, ZINC ION | | Authors: | Luo, Q, Viste, K, Urday-Zaa, J.C, Kumar, G.S, Tsai, W.-W, Talai, A, Mayo, K, Montminy, M, Radhakrishnan, I. | | Deposit date: | 2012-11-01 | | Release date: | 2012-12-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Protein kinase N1, a cell inhibitor of Akt kinase, has a central role in quality control of germinal center formation
Proc.Natl.Acad.Sci.USA, 2012
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4HQV
 | | tRNA-guanine transglycosylase Y106F, C158V, V233G mutant in complex with queuine | | Descriptor: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | Authors: | Biela, I, Tidten-Luksch, N, Heine, A, Reuter, K, Klebe, G. | | Deposit date: | 2012-10-26 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor.
Plos One, 8, 2013
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3TLM
 | | Crystal Structure of Endoplasmic Reticulum Ca2+-ATPase (SERCA) From Bovine Muscle | | Descriptor: | CALCIUM ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Sacchetto, R, Bertipaglia, I, Giannetti, S, Cendron, L, Mascarello, F, Damiani, E, Carafoli, E, Zanotti, G. | | Deposit date: | 2011-08-30 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Crystal structure of sarcoplasmic reticulum Ca(2+)-ATPase (SERCA) from bovine muscle.
J.Struct.Biol., 178, 2012
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4I58
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4IB6
 | | Bovine beta-lactoglobulin (isoform A) in complex with lauric acid (C12) | | Descriptor: | Beta-lactoglobulin, LAURIC ACID | | Authors: | Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K. | | Deposit date: | 2012-12-08 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography
J.Mol.Recognit., 26, 2013
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3U0V
 | | Crystal Structure Analysis of human LYPLAL1 | | Descriptor: | Lysophospholipase-like protein 1 | | Authors: | Burger, M, Zimmermann, T.J, Kondoh, Y, Stege, P, Watanabe, N, Osada, H, Waldmann, H, Vetter, I.R. | | Deposit date: | 2011-09-29 | | Release date: | 2011-11-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Crystal structure of the predicted phospholipase LYPLAL1 reveals unexpected functional plasticity despite close relationship to acyl protein thioesterases
J.Lipid Res., 53, 2012
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3U48
 | | From soil to structure: a novel dimeric family 3-beta-glucosidase isolated from compost using metagenomic analysis | | Descriptor: | CALCIUM ION, JMB19063, beta-D-glucopyranose | | Authors: | McAndrew, R.P, Park, J.I, Reindl, W, Friedland, G.D, D'haeseleer, P, Northen, T, Sale, K.L, Simmons, B.A, Adams, P.D. | | Deposit date: | 2011-10-07 | | Release date: | 2013-04-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | From soil to structure: a novel dimeric family 3-beta-glucosidase isolated from compost using metagenomic analysis
To be Published
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3U6V
 | | Crystal Structure Analysis of L23A mutant of human GST A1-1 | | Descriptor: | Glutathione S-transferase A1 | | Authors: | Fanucchi, S, Achilonu, I.A, Khoza, T.N, Fernandes, M.A, Gildenhuys, S, Dirr, H.W. | | Deposit date: | 2011-10-13 | | Release date: | 2011-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure Analysis of L23A mutant of human GST A1-1
To be Published
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4I8Z
 | | Crystal structure of wild type HIV-1 protease in complex with non-peptidic inhibitor, GRL008 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease | | Authors: | Yedidi, R.S, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2012-12-04 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety.
Antimicrob.Agents Chemother., 57, 2013
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3TUP
 | | Crystal structure of human mitochondrial PheRS complexed with tRNAPhe in the active open state | | Descriptor: | Phenylalanyl-tRNA synthetase, mitochondrial, Thermus thermophilus tRNAPhe | | Authors: | Safro, M, Klipcan, L, Moor, N, Finarov, I, Kessler, N, Sukhanova, M. | | Deposit date: | 2011-09-17 | | Release date: | 2011-11-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Crystal Structure of Human Mitochondrial PheRS Complexed with tRNA(Phe) in the Active "Open" State.
J.Mol.Biol., 415, 2012
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4IR4
 | | Crystal Structure of the bromodomain of human BAZ2B in complex with 1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone (GSK2834113A) | | Descriptor: | 1,2-ETHANEDIOL, 1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2B | | Authors: | Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-01-14 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
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