4D52
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![BU of 4d52 by Molmil](/molmil-images/mine/4d52) | CRYSTAL STRUCTURE OF FUCOSE BINDING LECTIN FROM ASPERGILLUS FUMIGATUS (AFL) IN COMPLEX WITH L-GALACTOPYRANOSE. | Descriptor: | DI(HYDROXYETHYL)ETHER, FUCOSE-SPECIFIC LECTIN FLEA, SODIUM ION, ... | Authors: | Houser, J, Cioci, G, Komarek, J, Wimmerowa, M, Kostlanova, N, Lahmann, M, Varrot, A, Imberty, A. | Deposit date: | 2014-11-01 | Release date: | 2015-03-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent. Acta Crystallogr.,Sect.D, 71, 2015
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2YOE
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![BU of 2yoe by Molmil](/molmil-images/mine/2yoe) | X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with GABA and flurazepam | Descriptor: | CYS-LOOP LIGAND-GATED ION CHANNEL, Flurazepam, GAMMA-AMINO-BUTANOIC ACID | Authors: | Spurny, R, Brams, M, Nury, H, Legrand, P, Ulens, C. | Deposit date: | 2012-10-23 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Pentameric Ligand-Gated Ion Channel Elic is Activated by Gaba and Modulated by Benzodiazepines. Proc.Natl.Acad.Sci.USA, 109, 2012
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4C1Y
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![BU of 4c1y by Molmil](/molmil-images/mine/4c1y) | Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with b-methylfucoside | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, FUCOSE-SPECIFIC LECTIN FLEA, ... | Authors: | Houser, J, Komarek, J, Kostlanova, N, Lahmann, M, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M. | Deposit date: | 2013-08-14 | Release date: | 2014-08-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent. Acta Crystallogr.,Sect.D, 71, 2015
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3A7A
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![BU of 3a7a by Molmil](/molmil-images/mine/3a7a) | Crystal structure of E. coli lipoate-protein ligase A in complex with octyl-amp and apoH-protein | Descriptor: | ADENOSINE MONOPHOSPHATE, Glycine cleavage system H protein, Lipoate-protein ligase A, ... | Authors: | Fujiwara, K, Hosaka, H, Nakagawa, A. | Deposit date: | 2009-09-20 | Release date: | 2010-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Global conformational change associated with the two-step reaction catalyzed by Escherichia coli lipoate-protein ligase A. J.Biol.Chem., 285, 2010
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3A7R
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3KL5
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![BU of 3kl5 by Molmil](/molmil-images/mine/3kl5) | |
3KL3
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![BU of 3kl3 by Molmil](/molmil-images/mine/3kl3) | Crystal structure of Ligand bound XynC | Descriptor: | D-HISTIDINE, Glucuronoxylanase xynC, TETRAETHYLENE GLYCOL, ... | Authors: | St John, F.J, Hurlbert, J.C, Pozharski, E. | Deposit date: | 2009-11-06 | Release date: | 2010-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Ligand bound structures of a glycosyl hydrolase family 30 glucuronoxylan xylanohydrolase. J.Mol.Biol., 407, 2011
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7XUD
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![BU of 7xud by Molmil](/molmil-images/mine/7xud) | Structure of G9a in complex with compound 26a | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents. J.Med.Chem., 66, 2023
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7XUA
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![BU of 7xua by Molmil](/molmil-images/mine/7xua) | Structure of G9a in complex with compound 10a | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ... | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents. J.Med.Chem., 66, 2023
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3TGR
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![BU of 3tgr by Molmil](/molmil-images/mine/3tgr) | Crystal structure of unliganded HIV-1 clade C strain C1086 gp120 core | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade C1086 gp120 | Authors: | Kwon, Y.D, Kwong, P.D. | Deposit date: | 2011-08-17 | Release date: | 2012-04-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops. Proc.Natl.Acad.Sci.USA, 109, 2012
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3TGT
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![BU of 3tgt by Molmil](/molmil-images/mine/3tgt) | Crystal structure of unliganded HIV-1 clade A/E strain 93TH057 gp120 core | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 clade A/E 93TH057 gp120 | Authors: | Kwon, Y.D, Kwong, P.D. | Deposit date: | 2011-08-17 | Release date: | 2012-04-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops. Proc.Natl.Acad.Sci.USA, 109, 2012
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3TIH
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3TGQ
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![BU of 3tgq by Molmil](/molmil-images/mine/3tgq) | Crystal structure of unliganded HIV-1 clade B strain YU2 gp120 core | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 YU2 gp120 | Authors: | Kwon, Y.D, Kwong, P.D. | Deposit date: | 2011-08-17 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops. Proc.Natl.Acad.Sci.USA, 109, 2012
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1JNQ
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![BU of 1jnq by Molmil](/molmil-images/mine/1jnq) | LIPOXYGENASE-3 (SOYBEAN) COMPLEX WITH EPIGALLOCATHECHIN (EGC) | Descriptor: | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL, FE (II) ION, lipoxygenase-3 | Authors: | Zhou, K, Skrzypczak-Jankun, E, Jankun, J. | Deposit date: | 2001-07-24 | Release date: | 2003-06-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition of lipoxygenase by (-)-epigallocatechin gallate: X-ray analysis at 2.1 A reveals degradation of EGCG
and shows soybean LOX-3 complex with EGC instead. INT.J.MOL.MED., 12, 2003
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2Y68
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![BU of 2y68 by Molmil](/molmil-images/mine/2y68) | Structure-based design of a new series of D-glutamic acid-based inhibitors of bacterial MurD ligase | Descriptor: | 2-[[2-fluoro-5-[[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid, AZIDE ION, CHLORIDE ION, ... | Authors: | Tomasic, T, Zidar, N, Sink, R, Kovac, A, Patin, D, Blanot, D, Contreras-Martel, C, Dessen, A, Muller-Premru, M, Zega, A, Gobec, S, Peterlin-Masic, L, Kikelj, D. | Deposit date: | 2011-01-20 | Release date: | 2011-06-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structure-based design of a new series of D-glutamic acid based inhibitors of bacterial UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase (MurD). J. Med. Chem., 54, 2011
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2WX9
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2WYP
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![BU of 2wyp by Molmil](/molmil-images/mine/2wyp) | Crystal structure of sialic acid binding protein | Descriptor: | SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP, deamino-beta-neuraminic acid | Authors: | Fischer, M, Hubbard, R.E. | Deposit date: | 2009-11-18 | Release date: | 2011-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Water networks can determine the affinity of ligand binding to proteins. J.Am.Chem.Soc., 2019
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2WYK
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![BU of 2wyk by Molmil](/molmil-images/mine/2wyk) | SiaP in complex with Neu5Gc | Descriptor: | N-glycolyl-beta-neuraminic acid, SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP, THIOCYANATE ION | Authors: | Fischer, M, Hubbard, R.E. | Deposit date: | 2009-11-16 | Release date: | 2011-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Water networks can determine the affinity of ligand binding to proteins. J.Am.Chem.Soc., 2019
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6X1N
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6X1P
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6X1R
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2PHN
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![BU of 2phn by Molmil](/molmil-images/mine/2phn) | Crystal structure of an amide bond forming F420-gamma glutamyl ligase from Archaeoglobus fulgidus | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, F420-0:gamma-glutamyl ligase, ... | Authors: | Nocek, B, Evdokimova, E, Kudritska, M, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-04-11 | Release date: | 2007-05-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure of an Amide Bond Forming F(420):gammagamma-glutamyl Ligase from Archaeoglobus Fulgidus - A Member of a New Family of Non-ribosomal Peptide Synthases. J.Mol.Biol., 372, 2007
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2XA5
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6AQQ
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![BU of 6aqq by Molmil](/molmil-images/mine/6aqq) | Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor | Descriptor: | (3aS,4S,6aR)-4-(5-{1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}pentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one, Bifunctional ligase/repressor BirA | Authors: | Cini, D.A, Wilce, M.C.J. | Deposit date: | 2017-08-21 | Release date: | 2018-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus. ACS Infect Dis, 4, 2018
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1QN1
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![BU of 1qn1 by Molmil](/molmil-images/mine/1qn1) | SOLUTION STRUCTURE OF DESULFOVIBRIO GIGAS FERRICYTOCHROME C3, NMR, 15 STRUCTURES | Descriptor: | CYTOCHROME C3, HEME C | Authors: | Brennan, L, Messias, A.C, Legall, J, Turner, D.L, Xavier, A.V. | Deposit date: | 1999-10-11 | Release date: | 2000-10-12 | Last modified: | 2019-11-06 | Method: | SOLUTION NMR | Cite: | Structural Basis for the Network of Functional Cooperativities in Cytochromes C3 from Desulfovibrio Gigas: Solution Structures of the Oxidised and Reduced States J.Mol.Biol., 298, 2000
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