3W36
 
 | | Crystal structure of holo-type bacterial Vanadium-dependent chloroperoxidase | | Descriptor: | NapH1, VANADATE ION | | Authors: | Liscombe, D.K, Miyanaga, A, Fielding, E, Bernhardt, P, Li, A, Winter, J.M, Gilson, M.K, Noel, J.P, Moore, B.S. | | Deposit date: | 2012-12-11 | | Release date: | 2013-12-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural Basis of Stereospecific Vanadium-Dependent Haloperoxidase Family Enzymes in Napyradiomycin Biosynthesis.
Biochemistry, 2022
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1C3M
 | | CRYSTAL STRUCTURE OF HELTUBA COMPLEXED TO MAN(1-3)MAN | | Descriptor: | AGGLUTININ, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose | | Authors: | Bourne, Y, Zamboni, V, Barre, A, Peumans, W.J, van Damme, E.J.M, Rouge, P. | | Deposit date: | 1999-07-28 | | Release date: | 2000-01-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Helianthus tuberosus lectin reveals a widespread scaffold for mannose-binding lectins.
Structure Fold.Des., 7, 1999
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6WU3
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3W35
 | | Crystal structure of apo-type bacterial Vanadium-dependent chloroperoxidase | | Descriptor: | NapH1 | | Authors: | Liscombe, D.K, Miyanaga, A, Fielding, E, Bernhardt, P, Li, A, Winter, J.M, Gilson, M.K, Noel, J.P, Moore, B.S. | | Deposit date: | 2012-12-11 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of Stereospecific Vanadium-Dependent Haloperoxidase Family Enzymes in Napyradiomycin Biosynthesis.
Biochemistry, 2022
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4KTV
 | | Structural insights of MAT enzymes: MATa2b complexed with adenosine and pyrophosphate | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE, MAGNESIUM ION, ... | | Authors: | Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L. | | Deposit date: | 2013-05-21 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure and function study of the complex that synthesizes S-adenosylmethionine.
IUCrJ, 1, 2014
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3UJB
 | | Phosphoethanolamine methyltransferase from Plasmodium falciparum in complex with SAH and phosphoethanolamine | | Descriptor: | PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Phosphoethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Lee, S.G, Kim, Y, Alpert, T.D, Nagata, A, Jez, J.M. | | Deposit date: | 2011-11-07 | | Release date: | 2011-11-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.521 Å) | | Cite: | Structure and reaction mechanism of phosphoethanolamine methyltransferase from the malaria parasite Plasmodium falciparum: an antiparasitic drug target.
J.Biol.Chem., 287, 2012
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3USQ
 | | Structure of D159S/Y194F glycogenin mutant truncated at residue 270 | | Descriptor: | CHLORIDE ION, GLYCEROL, Glycogenin-1 | | Authors: | Issoglio, F.M, Carrizo, M.E, Romero, J.M, Curtino, J.A. | | Deposit date: | 2011-11-23 | | Release date: | 2011-12-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mechanisms of monomeric and dimeric glycogenin autoglucosylation.
J.Biol.Chem., 287, 2012
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4KRG
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5DEK
 | | RNA octamer containing dT | | Descriptor: | COBALT HEXAMMINE(III), RNA oligonucleotide containing dT | | Authors: | Harp, J.M, Egli, M. | | Deposit date: | 2015-08-25 | | Release date: | 2016-07-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.993 Å) | | Cite: | Structural Basis of Duplex Thermodynamic Stability and Enhanced Nuclease Resistance of 5'-C-Methyl Pyrimidine-Modified Oligonucleotides.
J.Org.Chem., 81, 2016
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3UC1
 | | Mycobacterium tuberculosis gyrase type IIA topoisomerase C-terminal domain | | Descriptor: | ACETATE ION, CALCIUM ION, DNA gyrase subunit A, ... | | Authors: | Tretter, E.M, Berger, J.M. | | Deposit date: | 2011-10-25 | | Release date: | 2012-03-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Mechanisms for Defining Supercoiling Set Point of DNA Gyrase Orthologs: II. THE SHAPE OF THE GyrA SUBUNIT C-TERMINAL DOMAIN (CTD) IS NOT A SOLE DETERMINANT FOR CONTROLLING SUPERCOILING EFFICIENCY.
J.Biol.Chem., 287, 2012
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3UEH
 | | Crystal structure of human Survivin H80A mutant | | Descriptor: | 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 5, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W. | | Deposit date: | 2011-10-30 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres.
Mol Biol Cell, 23, 2012
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3UJ6
 | | SeMet Phosphoethanolamine methyltransferase from Plasmodium falciparum in complex with SAM and PO4 | | Descriptor: | PHOSPHATE ION, Phosphoethanolamine N-methyltransferase, S-ADENOSYLMETHIONINE | | Authors: | Lee, S.G, Kim, Y, Alpert, T.D, Nagata, A, Jez, J.M. | | Deposit date: | 2011-11-07 | | Release date: | 2011-11-30 | | Last modified: | 2012-03-21 | | Method: | X-RAY DIFFRACTION (1.974 Å) | | Cite: | Structure and reaction mechanism of phosphoethanolamine methyltransferase from the malaria parasite Plasmodium falciparum: an antiparasitic drug target.
J.Biol.Chem., 287, 2012
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3UK3
 | | Crystal structure of ZNF217 bound to DNA | | Descriptor: | 5'-D(*AP*AP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', 5'-D(*TP*TP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', CHLORIDE ION, ... | | Authors: | Vandevenne, M.S, Jacques, D.A, Guss, J.M, Mackay, J.P. | | Deposit date: | 2011-11-08 | | Release date: | 2012-12-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Rediscovering DNA recognition by classical Zinc Fingers.
To be Published
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4D8C
 | | Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a co-crystallization experiment | | Descriptor: | (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1, SULFATE ION | | Authors: | Rondeau, J.M, Bourgier, E. | | Deposit date: | 2012-01-10 | | Release date: | 2012-11-21 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
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4KRH
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4L8G
 | | Crystal Structure of K-Ras G12C, GDP-bound | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-06-17 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.521 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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3W39
 | | Crystal structure of HLA-B*5201 in complexed with HIV immunodominant epitope (TAFTIPSI) | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-52 alpha chain, ... | | Authors: | Yagita, Y, Kuse, N, Kuroki, K, Gatanaga, H, Carlson, J.M, Chikata, T, Brumme, Z.L, Murakoshi, H, Akahoshi, T, Pfeifer, N, Mallal, S, John, M, Ose, T, Matsubara, H, Kanda, R, Fukunaga, Y, Honda, K, Kawashima, Y, Ariumi, Y, Oka, S, Maenaka, K, Takiguchi, M. | | Deposit date: | 2012-12-13 | | Release date: | 2013-02-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Distinct HIV-1 Escape Patterns Selected by Cytotoxic T Cells with Identical Epitope Specificity
J.Virol., 87, 2013
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4D89
 | | Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a soaking experiment | | Descriptor: | (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | | Authors: | Rondeau, J.M, Bourgier, E. | | Deposit date: | 2012-01-10 | | Release date: | 2012-11-21 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
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4D8F
 | | Chlamydia trachomatis NrdB with a Mn/Fe cofactor (procedure 1 - high Mn) | | Descriptor: | ACETIC ACID, FE (III) ION, MANGANESE (II) ION, ... | | Authors: | Dassama, L.M.K, Boal, A.K, Krebs, C, Rosenzweig, A.C, Bollinger Jr, J.M. | | Deposit date: | 2012-01-10 | | Release date: | 2012-02-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Evidence that the beta subunit of Chlamydia trachomatis ribonucleotide reductase is active with the manganese ion of its manganese(IV)/iron(III) cofactor in site 1.
J.Am.Chem.Soc., 134, 2012
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4L9W
 | | Crystal Structure of H-Ras G12C, GMPPNP-bound | | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-06-18 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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6JB8
 | | Crystal structure of nanobody D3-L11 in complex with hen egg-white lysozyme | | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | | Authors: | Caaveiro, J.M.M, Tamura, H, Akiba, H, Tsumoto, K. | | Deposit date: | 2019-01-25 | | Release date: | 2019-11-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and thermodynamic basis for the recognition of the substrate-binding cleft on hen egg lysozyme by a single-domain antibody.
Sci Rep, 9, 2019
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4L39
 | | Crystal structure of GH3.12 from Arabidopsis thaliana in complex with AMPCPP and salicylate | | Descriptor: | 2-HYDROXYBENZOIC ACID, 4-substituted benzoates-glutamate ligase GH3.12, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | | Authors: | Zubieta, C, Jez, J.M, Brown, E, Marcellin, R, Kapp, U, Round, A, Westfall, C. | | Deposit date: | 2013-06-05 | | Release date: | 2013-10-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Determination of the GH3.12 protein conformation through HPLC-integrated SAXS measurements combined with X-ray crystallography.
Acta Crystallogr.,Sect.D, 69, 2013
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2IGZ
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7L5E
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3UED
 | | Crystal structure of human Survivin bound to histone H3 phosphorylated on threonine-3 (C2 space group). | | Descriptor: | Baculoviral IAP repeat-containing protein 5, N-terminal fragment of histone H3, ZINC ION | | Authors: | Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W. | | Deposit date: | 2011-10-30 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres.
Mol.Biol.Cell, 23, 2012
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