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2OEJ
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BU of 2oej by Molmil
Crystal structure of a rubisco-like protein from Geobacillus kaustophilus (tetramutant form), liganded with phosphate ions
Descriptor: 2,3-diketo-5-methylthiopentyl-1-phosphate enolase, PHOSPHATE ION
Authors:Fedorov, A.A, Imker, H.J, Fedorov, E.V, Almo, S.C, Gerlt, J.A.
Deposit date:2006-12-30
Release date:2007-03-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Mechanistic Diversity in the RuBisCO Superfamily: The "Enolase" in the Methionine Salvage Pathway in Geobacillus kaustophilus.
Biochemistry, 46, 2007
3G2K
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BU of 3g2k by Molmil
Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazole
Descriptor: 1-beta-D-glucopyranosyl-4-naphthalen-2-yl-1H-1,2,3-triazole, Glycogen phosphorylase, muscle form
Authors:Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L.
Deposit date:2009-01-31
Release date:2010-02-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
4YND
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BU of 4ynd by Molmil
The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2
Descriptor: N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[(2R)-2-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ...
Authors:Sweis, R.F, Wang, Z, Algire, M, Arrowsmith, C.H, Brown, P.J, Chiang, G.C, Guo, J, Jakob, C.G, Kennedy, S, Li, F, Soni, N.B, Vedadi, M, Pappano, W.N.
Deposit date:2015-03-09
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2.
Acs Med.Chem.Lett., 6, 2015
7B8B
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BU of 7b8b by Molmil
ADPG2 - ENDOPOLYGALACTURONASE FROM ARABIDOPSIS THALIANA
Descriptor: PHOSPHATE ION, Polygalacturonase ADPG2
Authors:Safran, J, Tabi, W, Habrylo, O, Bouckaert, J, Lefebvre, V, Senechal, F, Pelloux, J.
Deposit date:2020-12-12
Release date:2022-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Plant polygalacturonase structures specify enzyme dynamics and processivities to fine-tune cell wall pectins.
Plant Cell, 2023
2O07
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BU of 2o07 by Molmil
Human spermidine synthase
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, SPERMIDINE, Spermidine synthase
Authors:Min, J, Wu, H, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2006-11-27
Release date:2006-12-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure and mechanism of spermidine synthases.
Biochemistry, 46, 2007
2O68
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BU of 2o68 by Molmil
Crystal Structure of Haemophilus influenzae Q58L mutant FbpA
Descriptor: FE (III) ION, Iron-utilization periplasmic protein, PHOSPHATE ION
Authors:Shouldice, S.R, Tari, L.W.
Deposit date:2006-12-07
Release date:2007-04-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The role of the synergistic phosphate anion in iron transport by the periplasmic iron-binding protein from Haemophilus influenzae.
Biochem.J., 403, 2007
5ZEQ
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BU of 5zeq by Molmil
Carboxypeptidase B in complex with DD28
Descriptor: (2~{S})-2-[(6-azanyl-5-chloranyl-pyridin-3-yl)methyl]-3-selanyl-propanoic acid, CACODYLATE ION, Carboxypeptidase B, ...
Authors:Itoh, T, Yoshimoto, N, Yamamoto, K.
Deposit date:2018-02-27
Release date:2018-06-20
Last modified:2018-07-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the selective inhibition of activated thrombin-activatable fibrinolysis inhibitor (TAFIa) by a selenium-containing inhibitor with chloro-aminopyridine as a basic group
Bioorg. Med. Chem. Lett., 28, 2018
3DWA
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BU of 3dwa by Molmil
Crystal structure of the B-subunit of the AB5 toxin from E. coli
Descriptor: PENTAETHYLENE GLYCOL, Subtilase cytotoxin, subunit B
Authors:Byres, E, Paton, A.W, Paton, J.C, Lofling, J.C, Smith, D.F, Wilce, M.C.J, Talbot, U.M, Chong, D.C, Yu, H, Huang, S, Chen, X, Varki, N.M, Varki, A, Rossjohn, J, Beddoe, T.
Deposit date:2008-07-22
Release date:2008-11-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.084 Å)
Cite:Incorporation of a non-human glycan mediates human susceptibility to a bacterial toxin
Nature, 456, 2008
3DWP
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BU of 3dwp by Molmil
Crystal structure of the B-subunit of the AB5 toxin from E. Coli with Neu5Gc
Descriptor: N-glycolyl-alpha-neuraminic acid, PENTAETHYLENE GLYCOL, Subtilase cytotoxin, ...
Authors:Byres, E, Paton, A.W, Paton, J.C, Lofling, J.C, Smith, D.F, Wilce, M.C.J, Talbot, U.M, Chong, D.C, Yu, H, Huang, S, Chen, X, Varki, N.M, Varki, A, Rossjohn, J, Beddoe, T.
Deposit date:2008-07-22
Release date:2008-11-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Incorporation of a non-human glycan mediates human susceptibility to a bacterial toxin
Nature, 456, 2008
3P4I
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BU of 3p4i by Molmil
Crystal structure of acetate kinase from Mycobacterium avium
Descriptor: 1,2-ETHANEDIOL, Acetate kinase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-10-06
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
2O06
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BU of 2o06 by Molmil
Human spermidine synthase
Descriptor: 1,4-DIAMINOBUTANE, 5'-DEOXY-5'-METHYLTHIOADENOSINE, MAGNESIUM ION, ...
Authors:Min, J, Wu, H, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2006-11-27
Release date:2006-12-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and mechanism of spermidine synthases.
Biochemistry, 46, 2007
4YK6
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BU of 4yk6 by Molmil
Crystal structure of APC-ARM in complexed with Amer1-A4
Descriptor: APC membrane recruitment protein 1, Adenomatous polyposis coli protein
Authors:Zhang, Z, Xiao, Y, Wu, G.
Deposit date:2015-03-04
Release date:2016-03-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of the APC-ARM domain in complexes with discrete Amer1/WTX fragments reveal that it uses a consensus mode to recognize its binding partners
Cell Discov, 1, 2015
4WW0
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BU of 4ww0 by Molmil
Truncated FtsH from A. aeolicus
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent zinc metalloprotease FtsH, ZINC ION
Authors:Vostrukhina, M, Baumann, U, Schacherl, M, Bieniossek, C, Lanz, M, Baumgartner, R.
Deposit date:2014-11-09
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:The structure of Aquifex aeolicus FtsH in the ADP-bound state reveals a C2-symmetric hexamer.
Acta Crystallogr.,Sect.D, 71, 2015
2O69
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BU of 2o69 by Molmil
Crystal Structure of Haemophilus influenzae N193L mutant FbpA
Descriptor: FE (III) ION, Iron-utilization periplasmic protein
Authors:Shouldice, S.R, Tari, L.W.
Deposit date:2006-12-07
Release date:2007-04-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:The role of the synergistic phosphate anion in iron transport by the periplasmic iron-binding protein from Haemophilus influenzae.
Biochem.J., 403, 2007
4X4P
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BU of 4x4p by Molmil
Crystal structure of the A.fulgidus CCA-adding enzyme in complex with a G70A arginyl-tRNA minihelix ending in CCAC
Descriptor: CCA-adding enzyme, G70A tRNA minihelix ending in CCAC, SULFATE ION
Authors:Kuhn, C.-D, Joshua-Tor, L.
Deposit date:2014-12-03
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:On-Enzyme Refolding Permits Small RNA and tRNA Surveillance by the CCA-Adding Enzyme.
Cell, 160, 2015
3G2H
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BU of 3g2h by Molmil
Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazoles in complex with glycogen phosphorylase
Descriptor: 1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ...
Authors:Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L.
Deposit date:2009-01-31
Release date:2010-02-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
5ERO
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BU of 5ero by Molmil
Crystal structure of elongation domain of Phomopsis amygdali fusicoccadiene synthase complexed with cobalt ions and pamidronate
Descriptor: COBALT (II) ION, Fusicoccadiene synthase, PAMIDRONATE
Authors:Chen, M, Christianson, D.W.
Deposit date:2015-11-14
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure and Function of Fusicoccadiene Synthase, a Hexameric Bifunctional Diterpene Synthase.
Acs Chem.Biol., 11, 2016
2OEK
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BU of 2oek by Molmil
Crystal structure of a rubisco-like protein from Geobacillus kaustophilus liganded with Mg2+ ions
Descriptor: 2,3-diketo-5-methylthiopentyl-1-phosphate enolase, MAGNESIUM ION
Authors:Fedorov, A.A, Imker, H.J, Fedorov, E.V, Almo, S.C, Gerlt, J.A.
Deposit date:2006-12-30
Release date:2007-03-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanistic Diversity in the RuBisCO Superfamily: The "Enolase" in the Methionine Salvage Pathway in Geobacillus kaustophilus.
Biochemistry, 46, 2007
4X8V
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BU of 4x8v by Molmil
FACTOR VIIA IN COMPLEX WITH THE INHIBITOR (methyl {3-[(2R)-1-{(2R)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate)
Descriptor: CALCIUM ION, Factor VIIa (Heavy Chain), Factor VIIa (Light Chain), ...
Authors:Wei, A.
Deposit date:2014-12-10
Release date:2015-03-25
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Novel P1 Groups for Coagulation Factor VIIa Inhibition Using Fragment-Based Screening.
J.Med.Chem., 58, 2015
4WIK
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BU of 4wik by Molmil
HUMAN SPLICING FACTOR, CONSTRUCT 2
Descriptor: Splicing factor, proline- and glutamine-rich
Authors:lee, M, bond, c.s.
Deposit date:2014-09-26
Release date:2015-04-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of human SFPQ reveals a coiled-coil mediated polymer essential for functional aggregation in gene regulation.
Nucleic Acids Res., 43, 2015
4ETP
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BU of 4etp by Molmil
C-terminal motor and motor homology domain of Kar3Vik1 fused to a synthetic heterodimeric coiled coil
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Kinesin-like protein KAR3, ...
Authors:Rank, K.C, Chen, C.J, Cope, J, Porche, K, Hoenger, A, Gilbert, S.P, Rayment, I.
Deposit date:2012-04-24
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Kar3Vik1, a member of the kinesin-14 superfamily, shows a novel kinesin microtubule binding pattern.
J.Cell Biol., 197, 2012
3PE8
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BU of 3pe8 by Molmil
Crystal structure of Enoyl-CoA hydratase from Mycobacterium smegmatis
Descriptor: 1,2-ETHANEDIOL, Enoyl-CoA hydratase, ZINC ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-10-25
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3G2I
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BU of 3g2i by Molmil
Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazole
Descriptor: 1-beta-D-glucopyranosyl-4-(hydroxymethyl)-1H-1,2,3-triazole, Glycogen phosphorylase, muscle form
Authors:Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L.
Deposit date:2009-01-31
Release date:2010-02-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
7CW0
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BU of 7cw0 by Molmil
Cryo-EM structure of Chikungunya virus in complex with mAb CHK-263 IgG
Descriptor: Capsid protein, E1 glycoprotein, E2 glycoprotein, ...
Authors:Zhou, Q.F, Fox, J.M, Earnest, J.T, Ng, T.S, Kim, A.S, Fibriansah, G, Kostyuchenko, V.A, Shu, B, Diamond, M.S, Lok, S.M.
Deposit date:2020-08-27
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Structural basis of Chikungunya virus inhibition by monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 117, 2020
4YJE
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BU of 4yje by Molmil
Crystal structure of APC-ARM in complexed with Amer1-A1
Descriptor: APC membrane recruitment protein 1, Adenomatous polyposis coli protein
Authors:Zhang, Z, Xiao, Y, Wu, G.
Deposit date:2015-03-03
Release date:2016-03-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of the APC-ARM domain in complexes with discrete Amer1/WTX fragments reveal that it uses a consensus mode to recognize its binding partners
Cell Discov, 1, 2015

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