4UO3
 
 | | Structure of the A_Equine_Richmond_07 H3 haemagglutinin mutant Ser30Thr | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Vachieri, S.G, Collins, P.J, Haire, L.F, Ogrodowicz, R.W, Martin, S.R, Walker, P.A, Xiong, X, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2014-05-31 | | Release date: | 2014-07-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Recent Evolution of Equine Influenza and the Origin of Canine Influenza.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4UO6
 | | Structure of the A_Canine_Colorado_17864_06 H3 haemagglutinin in complex with Sialyl Lewis X | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, H3 HAEMAGGLUTININ HA1 CHAIN, ... | | Authors: | Vachieri, S.G, Collins, P.J, Haire, L.F, Ogrodowicz, R.W, Martin, S.R, Walker, P.A, Xiong, X, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2014-05-31 | | Release date: | 2014-07-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Recent Evolution of Equine Influenza and the Origin of Canine Influenza.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4UCG
 | | NmeDAH7PS R126S variant | | Descriptor: | DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE, ... | | Authors: | Cross, P.J, Heyes, L.C, Zhang, S, Nazmi, A.R, Parker, E.J. | | Deposit date: | 2014-12-03 | | Release date: | 2016-01-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Functional Unit of Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase is Dimeric.
Plos One, 11, 2016
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3QRL
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3QXH
 | | Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with ADP and 8-aminocaprylic acid | | Descriptor: | 1,2-ETHANEDIOL, 8-aminooctanoic acid, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Minor, C, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-03-01 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
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4UMB
 | | Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water | | Descriptor: | (2R)-2-(phosphonooxy)propanoic acid, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Heyes, L.C, Reichau, S, Cross, P.J, Parker, E.J. | | Deposit date: | 2014-05-16 | | Release date: | 2014-10-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water.
Bioorg.Chem., 57, 2014
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3QXS
 | | Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with ANP | | Descriptor: | 1,2-ETHANEDIOL, Dethiobiotin synthetase, MAGNESIUM ION, ... | | Authors: | Klimecka, M.M, Porebski, P.J, Chruszcz, M, Jablonska, K, Murzyn, K, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-03-02 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
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4UMA
 | | Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3 deoxy D arabino heptulosonate 7 phosphate synthase the importance of accommodating the active site water | | Descriptor: | (E)-2-METHYL-3-PHOSPHONOACRYLATE, MANGANESE (II) ION, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE | | Authors: | Heyes, L.C, Reichau, S, Cross, P.J, Parker, E.J. | | Deposit date: | 2014-05-16 | | Release date: | 2014-10-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water.
Bioorg.Chem., 57, 2014
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4UMT
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium, DIMETHYL SULFOXIDE, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-21 | | Release date: | 2014-10-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase.
Acs Med.Chem.Lett., 6, 2015
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4UMP
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 3-(isoquinolin-7-yl)prop-2-yn-1-ol, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-20 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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4UMR
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-20 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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4UMQ
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-20 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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4UMU
 | | Structure of MELK in complex with inhibitors | | Descriptor: | (2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-21 | | Release date: | 2014-10-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase.
Acs Med.Chem.Lett., 6, 2015
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3S3Y
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3RUN
 | | New strategy to analyze structures of glycopeptide antibiotic-target complexes | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Economou, N.J, Townsend, T.M, Loll, P.J. | | Deposit date: | 2011-05-05 | | Release date: | 2012-06-06 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A carrier protein strategy yields the structure of dalbavancin.
J.Am.Chem.Soc., 134, 2012
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4WE7
 | | Structure and receptor binding preferences of recombinant human A(H3N2) virus hemagglutinins | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain | | Authors: | Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Villanueva, J.M, Stevens, J. | | Deposit date: | 2014-09-09 | | Release date: | 2015-02-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and receptor binding preferences of recombinant human A(H3N2) virus hemagglutinins.
Virology, 477C, 2015
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3SMR
 | | Crystal structure of human WD repeat domain 5 with compound | | Descriptor: | 1,2-ETHANEDIOL, 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ... | | Authors: | Dong, A, Dombrovski, L, Wasney, G.A, Tempel, W, Senisterra, G, Bolshan, Y, Smil, D, Nguyen, K.T, Hajian, T, Poda, G, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-06-28 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
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4W8I
 | | Crystal structure of LpSPL/Lpp2128, Legionella pneumophila sphingosine-1 phosphate lyase | | Descriptor: | Probable sphingosine-1-phosphate lyase | | Authors: | Stogios, P.J, Daniels, C, Skarina, T, Cuff, M, Di Leo, R, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-08-24 | | Release date: | 2014-11-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Legionella pneumophila S1P-lyase targets host sphingolipid metabolism and restrains autophagy.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3RUM
 | | New strategy to analyze structures of glycopeptide antibiotic-target complexes | | Descriptor: | 3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose, ISOPROPYL ALCOHOL, Maltose-binding periplasmic protein, ... | | Authors: | Economou, N.J, Weeks, S.D, Grasty, K.C, Nahoum, V, Loll, P.J. | | Deposit date: | 2011-05-05 | | Release date: | 2012-06-06 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | A carrier protein strategy yields the structure of dalbavancin.
J.Am.Chem.Soc., 134, 2012
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4V9G
 | | RC-LH1-PufX dimer complex from Rhodobacter sphaeroides | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ... | | Authors: | Qian, P, Papiz, M.Z, Jackson, P.J, Brindley, A.A, Ng, I.W, Olsen, J.D, Dickman, M.J, Bullough, P.A, Hunter, C.N. | | Deposit date: | 2013-02-21 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (7.78 Å) | | Cite: | Three-Dimensional Structure of the Rhodobacter sphaeroides RC-LH1-PufX Complex: Dimerization and Quinone Channels Promoted by PufX.
Biochemistry, 52, 2013
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3S3Z
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3RUL
 | | New strategy to analyze structures of glycopeptide-target complexes | | Descriptor: | 10-METHYLUNDECANOIC ACID, 2-amino-2-deoxy-beta-D-glucopyranuronic acid, CHLORIDE ION, ... | | Authors: | Economou, N.J, Nahoum, V, Weeks, S.D, Grasty, K.C, Loll, P.J. | | Deposit date: | 2011-05-05 | | Release date: | 2012-06-06 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A carrier protein strategy yields the structure of dalbavancin.
J.Am.Chem.Soc., 134, 2012
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4W8K
 | | Crystal structure of a putative Cas1 enzyme from Vibrio phage ICP1 | | Descriptor: | Cas1 protein, POTASSIUM ION | | Authors: | Stogios, P.J, Wawrzak, Z, Onopriyeno, O, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-08-25 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | To be published
To Be Published
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5O7Y
 | | Thebaine 6-O-demethylase (T6ODM) from Papaver somniferum in complex with succinate | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICKEL (II) ION, ... | | Authors: | Kluza, A, Niedzialkowska, E, Kurpiewska, K, Porebski, P.J, Borowski, T. | | Deposit date: | 2017-06-10 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway.
J. Struct. Biol., 202, 2018
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5OJ5
 | | YCF48 bound to D1 peptide | | Descriptor: | PHE-PRO-LEU-ASP-LEU-ALA, Ycf48-like protein | | Authors: | Michoux, F, Nixon, P.J, Murray, J.W. | | Deposit date: | 2017-07-20 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Ycf48 involved in the biogenesis of the oxygen-evolving photosystem II complex is a seven-bladed beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 115, 2018
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