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5HGK
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BU of 5hgk by Molmil
HIV-1 CA N-terminal domain, open conformation
Descriptor: CHLORIDE ION, Capsid protein
Authors:Jacques, D.A, Price, A.J, James, L.C.
Deposit date:2016-01-08
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.763 Å)
Cite:HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
3BFA
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BU of 3bfa by Molmil
Crystal structure of a pheromone binding protein from Apis mellifera in complex with the Queen mandibular pheromone
Descriptor: (2Z)-9-oxodec-2-enoic acid, GLYCEROL, Pheromone-binding protein ASP1
Authors:Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C.
Deposit date:2007-11-21
Release date:2008-06-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis of the honey bee PBP pheromone and pH-induced conformational change
J.Mol.Biol., 380, 2008
3BGO
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BU of 3bgo by Molmil
Azide complex of Engineered Subtilisin SUBT_BACAM
Descriptor: AZIDE ION, Subtilisin BPN', ZINC ION
Authors:Gallagher, D.T, Bryan, P.N.
Deposit date:2007-11-27
Release date:2008-06-03
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a switchable subtilisin complexed with a substrate and with the activator azide.
Biochemistry, 48, 2009
6BGH
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BU of 6bgh by Molmil
Solution NMR structure of Brd3 ET domain bound to Brg1 peptide
Descriptor: Brd3_ET, Bromodomain-containing protein 3
Authors:Szyszka, T.N, Wai, D.C, Mackay, J.P.
Deposit date:2017-10-28
Release date:2018-03-21
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The BRD3 ET domain recognizes a short peptide motif through a mechanism that is conserved across chromatin remodelers and transcriptional regulators.
J.Biol.Chem., 293, 2018
6Q4Z
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BU of 6q4z by Molmil
Structure of an inactive variant (D94N) of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana, in complex with beta-1,2-mannobiose
Descriptor: LmxM MPT-2 D94N, beta-D-mannopyranose-(1-2)-alpha-D-mannopyranose
Authors:Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Kloehn, J, Viera-Lara, M, Stanton, L, Cobbold, S, Pires, D.E, Hanssen, E, Parker, M.W, Ascher, D.B, Williams, S.J, McConville, M.J, Davies, G.J.
Deposit date:2018-12-06
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Cell Host Microbe, 26, 2019
5O4M
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BU of 5o4m by Molmil
Fresh crystals of HcgC from Methanococcus maripaludis cocrystallized with SAH and pyridinol
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-carboxy methyl-4-hydroxy-2-pyridinol, DIMETHYL SULFOXIDE, ...
Authors:Wagner, T, Bai, L, Xu, T, Hu, X, Ermler, U, Shima, S.
Deposit date:2017-05-29
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Water-Bridged H-Bonding Network Contributes to the Catalysis of the SAM-Dependent C-Methyltransferase HcgC.
Angew. Chem. Int. Ed. Engl., 56, 2017
2PYR
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BU of 2pyr by Molmil
PHOTOACTIVE YELLOW PROTEIN, 1 NANOSECOND INTERMEDIATE (287K)
Descriptor: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
Authors:Perman, B, Srajer, V, Ren, Z, Teng, T.Y, Pradervand, C, Ursby, T, Bourgeois, D, Schotte, F, Wulff, M, Kort, R, Hellingwerf, K, Moffat, K.
Deposit date:1998-03-04
Release date:1999-04-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Energy transduction on the nanosecond time scale: early structural events in a xanthopsin photocycle.
Science, 279, 1998
3BH4
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BU of 3bh4 by Molmil
High resolution crystal structure of Bacillus amyloliquefaciens alpha-amylase
Descriptor: Alpha-amylase, CALCIUM ION, SODIUM ION
Authors:Alikhajeh, J, Khajeh, K, Ranjbar, B, Naderi-Manesh, H, Lin, Y.H, Liu, M.Y, Chen, C.J.
Deposit date:2007-11-28
Release date:2008-12-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of Bacillus amyloliquefaciens alpha-amylase at high resolution: implications for thermal stability.
Acta Crystallogr.,Sect.F, 66, 2010
1KZ9
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BU of 1kz9 by Molmil
Mutant Enzyme L119F Lumazine Synthase from S.pombe
Descriptor: 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
Authors:Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
Deposit date:2002-02-06
Release date:2002-07-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
6S4Q
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BU of 6s4q by Molmil
scdSav(SASK) - Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes
Descriptor: GLYCEROL, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)
Authors:Rebelein, J.G.
Deposit date:2019-06-28
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Breaking Symmetry: Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes.
J.Am.Chem.Soc., 141, 2019
6GSV
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BU of 6gsv by Molmil
FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE
Descriptor: L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION
Authors:Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L.
Deposit date:1996-01-26
Release date:1996-11-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
6H2M
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BU of 6h2m by Molmil
Long wavelength Mesh&Collect native SAD phasing on microcrystals
Descriptor: CALCIUM ION, Concanavalin-A,Concanavalin-A, MANGANESE (II) ION
Authors:Cianci, M, Nanao, M, Schneider, T.R.
Deposit date:2018-07-13
Release date:2019-03-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.929 Å)
Cite:Long-wavelength Mesh&Collect native SAD phasing from microcrystals.
Acta Crystallogr D Struct Biol, 75, 2019
6RJH
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BU of 6rjh by Molmil
3D structure of horse spleen apoferritin determined using multifunctional graphene supports for electron cryomicroscopy
Descriptor: Ferritin light chain
Authors:Naydenova, K, Peet, M.J, Russo, C.J.
Deposit date:2019-04-26
Release date:2019-06-05
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Multifunctional graphene supports for electron cryomicroscopy.
Proc.Natl.Acad.Sci.USA, 116, 2019
2OBA
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BU of 2oba by Molmil
Pseudomonas aeruginosa 6-pyruvoyl tetrahydrobiopterin synthase
Descriptor: Probable 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION
Authors:McGrath, T.E, Kisselman, G, Battaile, K, Romanov, V, Wu-Brown, J, Guthrie, J, Virag, C, Mansoury, K, Edwards, A.M, Pai, E.F, Chirgadze, N.Y.
Deposit date:2006-12-18
Release date:2007-01-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Pseudomonas aeruginosa 6-pyruvoyl tetrahydrobiopterin synthase
TO BE PUBLISHED
6Q50
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BU of 6q50 by Molmil
Structure of MPT-4, a mannose phosphorylase from Leishmania mexicana, in complex with phosphate ion
Descriptor: 1,2-ETHANEDIOL, MPT-4, PHOSPHATE ION, ...
Authors:Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J.
Deposit date:2018-12-06
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Cell Host Microbe, 26, 2019
5X20
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BU of 5x20 by Molmil
The ternary structure of D-mandelate dehydrogenase with NADH and anilino(oxo)acetate
Descriptor: 2-dehydropantoate 2-reductase, 2-oxidanylidene-2-phenylazanyl-ethanoic acid, GLYCEROL, ...
Authors:Furukawa, N, Miyanaga, A, Nakajima, M, Taguchi, H.
Deposit date:2017-01-29
Release date:2017-04-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The ternary complex structure of d-mandelate dehydrogenase with NADH and anilino(oxo)acetate.
Biochem. Biophys. Res. Commun., 486, 2017
6GBX
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BU of 6gbx by Molmil
Crystal structure of human glutaminyl cyclase variant Y115E-Y117E in complex with SEN177
Descriptor: 1,2-ETHANEDIOL, 2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine, Glutaminyl-peptide cyclotransferase, ...
Authors:Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S.
Deposit date:2018-04-16
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The structure of the human glutaminyl cyclase-SEN177 complex indicates routes for developing new potent inhibitors as possible agents for the treatment of neurological disorders.
J. Biol. Inorg. Chem., 23, 2018
5HGM
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BU of 5hgm by Molmil
Hexameric HIV-1 CA in complex with dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Capsid protein P24
Authors:Jacques, D.A, James, L.C.
Deposit date:2016-01-08
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
5O55
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BU of 5o55 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ047
Descriptor: NITRATE ION, Peregrin, ~{N}-[(1~{S})-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-05-31
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
6GBL
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BU of 6gbl by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
Descriptor: 1,2-ETHANEDIOL, CACODYLATE ION, FORMIC ACID, ...
Authors:Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
Deposit date:2018-04-15
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
8Y0G
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BU of 8y0g by Molmil
Human beta-catenin crystal structure
Descriptor: Catenin beta-1
Authors:Tim, F.
Deposit date:2024-01-22
Release date:2024-03-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal protein of human Beta-catenin
To Be Published
2OF6
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BU of 2of6 by Molmil
Structure of immature West Nile virus
Descriptor: envelope glycoprotein E
Authors:Zhang, Y, Kaufmann, B, Chipman, P.R, Kuhn, R.J, Rossmann, M.G.
Deposit date:2007-01-02
Release date:2007-04-03
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (24 Å)
Cite:Structure of immature west nile virus.
J.Virol., 81, 2007
6CBD
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BU of 6cbd by Molmil
Crystal Structure of Human Argonaute2 Bound to Three Tryptophans
Descriptor: Guide RNA, ISOPROPYL ALCOHOL, MAGNESIUM ION, ...
Authors:Sheu-Gruttadauria, J, MacRae, I.J.
Deposit date:2018-02-02
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Phase Transitions in the Assembly and Function of Human miRISC.
Cell, 173, 2018
5O5A
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BU of 5o5a by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ032
Descriptor: 1-ethyl-~{N}-methyl-2,3-bis(oxidanylidene)-~{N}-[(1-phenylpyrazol-4-yl)methyl]-4~{H}-quinoxaline-6-carboxamide, NITRATE ION, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-06-01
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
4PSR
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BU of 4psr by Molmil
Crystal Structure of alpha-L-fucosidase from Fusarium graminearum in the open form in complex with L-fucose
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-fucosidase GH29, ...
Authors:Cao, H, Walton, J, Brumm, P, Phillips Jr, G.N.
Deposit date:2014-03-07
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure and Substrate Specificity of a Eukaryotic Fucosidase from Fusarium graminearum.
J.Biol.Chem., 289, 2014

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