5TG3
 
 | | Crystal Structure of Dioclea reflexa seed lectin (DrfL) in complex with X-Man | | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Dioclea reflexa lectin, ... | | Authors: | Santiago, M.Q, Correia, J.L.A, Pinto-Junior, V.R, Osterne, V.J.S, Pereira, R.I, Silva-Filho, J.C, Lossio, C.F, Rocha, B.A.M, Delatorre, P, Neco, A.H.B, Araripe, D.A, Nascimento, K.S, Cavada, B.S. | | Deposit date: | 2016-09-27 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.765 Å) | | Cite: | Structural studies of a vasorelaxant lectin from Dioclea reflexa Hook seeds: Crystal structure, molecular docking and dynamics.
Int. J. Biol. Macromol., 98, 2017
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4LJ5
 | | ClpB NBD2 from T. thermophilus in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB | | Authors: | Zeymer, C, Barends, T.R.M, Werbeck, N.D, Schlichting, I, Reinstein, J. | | Deposit date: | 2013-07-04 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Elements in nucleotide sensing and hydrolysis of the AAA+ disaggregation machine ClpB: a structure-based mechanistic dissection of a molecular motor
Acta Crystallogr.,Sect.D, 70, 2014
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4KZ3
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 44 (5-chloro-3-sulfamoylthiophene-2-carboxylic acid) | | Descriptor: | 5-chloro-3-sulfamoylthiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-05-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4L13
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4L4S
 | | Structural characterisation of the NADH binary complex of human lactate dehydrogenase M isozyme | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase A chain | | Authors: | Dempster, S, Harper, S, Moses, J.E, Dreveny, I. | | Deposit date: | 2013-06-09 | | Release date: | 2014-04-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural characterization of the apo form and NADH binary complex of human lactate dehydrogenase.
Acta Crystallogr.,Sect.D, 70, 2014
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4L55
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4LD1
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5TMB
 | | Crystal structure of Os79 from O. sativa in complex with UDP. | | Descriptor: | Glycosyltransferase, Os79, URIDINE-5'-DIPHOSPHATE | | Authors: | Wetterhorn, K.M, Newmister, S.A, Caniza, R.K, Busman, M, McCormick, S.P, Berthiller, F, Adam, G, Rayment, I. | | Deposit date: | 2016-10-12 | | Release date: | 2016-11-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal Structure of Os79 (Os04g0206600) from Oryza sativa: A UDP-glucosyltransferase Involved in the Detoxification of Deoxynivalenol.
Biochemistry, 55, 2016
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4EGD
 | | 1.85 Angstrom crystal structure of native hypothetical protein SAOUHSC_02783 from Staphylococcus aureus | | Descriptor: | CALCIUM ION, CHLORIDE ION, Uncharacterized protein SAOUHSC_02783 | | Authors: | Biancucci, M, Minasov, G, Halavaty, A, Filippova, E.V, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-03-30 | | Release date: | 2012-04-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 1.85 Angstrom crystal structure of native hypothetical protein SAOUHSC_02783 from Staphylococcus aureus
TO BE PUBLISHED
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5T2E
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3SWL
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5SYD
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4EWD
 | | Study on structure and function relationships in human Pirin with Mn ion | | Descriptor: | MANGANESE (II) ION, Pirin | | Authors: | Liu, F, Rehmani, I, Chen, L, Fu, R, Serrano, V, Wilson, D.W, Liu, A. | | Deposit date: | 2012-04-26 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Pirin is an iron-dependent redox regulator of NF-kappa B.
Proc.Natl.Acad.Sci.USA, 110, 2013
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5T04
 | | STRUCTURE OF CONSTITUTIVELY ACTIVE NEUROTENSIN RECEPTOR | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, ARG-ARG-PRO-TYR-ILE-LEU, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Krumm, B, Botos, I, Grisshammer, R. | | Deposit date: | 2016-08-15 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure and dynamics of a constitutively active neurotensin receptor.
Sci Rep, 6, 2016
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5T38
 | | Crystal Structure of the N-terminal domain of EvdMO1 with SAH bound | | Descriptor: | EvdMO1, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | McCulloch, K.M, Berndt, S, Yamakawa, I, Chen, Q, Loukachevitch, L.V, Starbird, C, Perry, N.A, Iverson, T.M. | | Deposit date: | 2016-08-25 | | Release date: | 2017-09-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.1502 Å) | | Cite: | The Structure of the Bifunctional Everninomicin Biosynthetic Enzyme EvdMO1 Suggests Independent Activity of the Fused Methyltransferase-Oxidase Domains.
Biochemistry, 57, 2018
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3SO9
 | | Darunavir in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 protease | | Authors: | Wang, Y, Liu, Z, Brunzelle, S.J, Kovari, L.C, Kovari, I.A. | | Deposit date: | 2011-06-30 | | Release date: | 2011-10-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | The higher barrier of darunavir and tipranavir resistance for HIV-1 protease.
Biochem.Biophys.Res.Commun., 412, 2011
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5TX7
 | | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Desulfovibrio vulgaris | | Descriptor: | D-isomer specific 2-hydroxyacid dehydrogenase family protein, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL | | Authors: | Czub, M.P, Shabalin, I.G, Gasiorowska, O.A, Handing, K.B, Kutner, J, Cymborowski, M.T, Hennig, P.M, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2016-11-15 | | Release date: | 2016-12-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Desulfovibrio vulgaris
to be published
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4EI7
 | | Crystal structure of Bacillus cereus TubZ, GDP-form | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Plasmid replication protein RepX | | Authors: | Hayashi, I, Hoshino, S. | | Deposit date: | 2012-04-05 | | Release date: | 2012-08-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Filament formation of the FtsZ/tubulin-like protein TubZ from the Bacillus cereus pXO1 plasmid.
J.Biol.Chem., 287, 2012
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5TZL
 | | Structure of transthyretin in complex with the kinetic stabilizer 201 | | Descriptor: | 4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol, Transthyretin | | Authors: | Connelly, S, Mortenson, D.E, Choi, S, Wilson, I.A, Powers, E.T, Kelly, J.W, Johnson, S.M. | | Deposit date: | 2016-11-21 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Semi-quantitative models for identifying potent and selective transthyretin amyloidogenesis inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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4N1S
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5U65
 | | Camel Nanobody VHH-5 | | Descriptor: | SULFATE ION, VHH-5 | | Authors: | Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2016-12-07 | | Release date: | 2017-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Selection of nanobodies with broad neutralizing potential against primary HIV-1 strains using soluble subtype C gp140 envelope trimers.
Sci Rep, 7, 2017
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4MUB
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/Oxamniquine Complex | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase, {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | | Authors: | Valentim, C.L.L, Cioli, D, Chevalier, F.D, Cao, X, Taylor, A.B, Holloway, S.P, Pica-Mattoccia, L, Guidi, A, Basso, A, Tsai, I.J, Berriman, M, Carvalho-Queiroz, C, Almeida, M, Aguilar, H, Frantz, D.E, Hart, P.J, Anderson, T.J.C, LoVerde, P.T. | | Deposit date: | 2013-09-21 | | Release date: | 2013-12-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Genetic and molecular basis of drug resistance and species-specific drug action in schistosome parasites.
Science, 342, 2013
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5U4Q
 | | 1.5 Angstrom Resolution Crystal Structure of NAD-Dependent Epimerase from Klebsiella pneumoniae in Complex with NAD. | | Descriptor: | CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, dTDP-glucose 4,6-dehydratase | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Bishop, B, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-12-05 | | Release date: | 2016-12-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 1.5 Angstrom Resolution Crystal Structure of NAD-Dependent Epimerase from Klebsiella pneumoniae in Complex with NAD.
To Be Published
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4BV5
 | | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | | Descriptor: | 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide, APOLIPOPROTEIN(A) | | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | | Deposit date: | 2013-06-25 | | Release date: | 2014-07-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
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4C12
 | | X-ray Crystal Structure of Staphylococcus aureus MurE with UDP-MurNAc- Ala-Glu-Lys and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Fulop, V, Roper, D.I, Ruane, K.M, Barreteau, H, Boniface, A, Dementin, S, Blanot, D, Mengin-Lecreulx, D, Gobec, S, Dessen, A, Dowson, C.G, Lloyd, A.J. | | Deposit date: | 2013-08-09 | | Release date: | 2013-10-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Specificity Determinants for Lysine Incorporation in Staphylococcus Aureus Peptidoglycan as Revealed by the Structure of a Mure Enzyme Ternary Complex.
J.Biol.Chem., 288, 2013
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