5AL0
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![BU of 5al0 by Molmil](/molmil-images/mine/5al0) | Transthyretin binding heterogeneity and anti-amyloidogenic activity of natural polyphenols and their metabolites: resveratrol-3-O-sulfate | Descriptor: | DIMETHYL SULFOXIDE, RESVERATROL-3-O-SULFATE, SULFATE ION, ... | Authors: | Florio, P, Foll, C, Cianci, M, Del Rio, D, Zanotti, G, Berni, R. | Deposit date: | 2015-03-05 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.388 Å) | Cite: | Transthyretin Binding Heterogeneity and Anti-Amyloidogenic Activity of Natural Polyphenols and Their Metabolites J.Biol.Chem., 290, 2015
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4MD9
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5B2X
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![BU of 5b2x by Molmil](/molmil-images/mine/5b2x) | Crystal Structure of P450BM3 mutant with N-perfluoroheptanoyl-L-tryptophan | Descriptor: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | Authors: | Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2016-02-03 | Release date: | 2017-02-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of P450BM3 with decoy molecules to be published
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4D78
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![BU of 4d78 by Molmil](/molmil-images/mine/4d78) | Cytochrome P450 3A4 bound to an inhibitor | Descriptor: | CYTOCHROME P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Sevrioukova, I, Poulos, T. | Deposit date: | 2014-11-21 | Release date: | 2015-09-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model. J.Med.Chem., 59, 2016
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5B46
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![BU of 5b46 by Molmil](/molmil-images/mine/5b46) | 2-Oxoacid:Ferredoxin Oxidoreductase 2 from Sulfolobus tokodai - ligand free form | Descriptor: | 2-oxoacid--ferredoxin oxidoreductase alpha subunit, 2-oxoacid--ferredoxin oxidoreductase beta subunit, IRON/SULFUR CLUSTER, ... | Authors: | Yan, Z, Maruyama, A, Arakawa, T, Fushinobu, S, Wakagi, T. | Deposit date: | 2016-04-01 | Release date: | 2016-09-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of archaeal 2-oxoacid:ferredoxin oxidoreductases from Sulfolobus tokodaii Sci Rep, 6, 2016
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5B7N
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4LS3
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![BU of 4ls3 by Molmil](/molmil-images/mine/4ls3) | THE crystal STRUCTURE OF HELICOBACTER PYLORI CEUE(HP1561)/NI-HIS COMPL | Descriptor: | HISTIDINE, NICKEL (II) ION, Nickel (III) ABC transporter, ... | Authors: | Salamina, M, Shaik, M.M, Cendron, L, Zanotti, G. | Deposit date: | 2013-07-22 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Helicobacter pylori periplasmic receptor CeuE (HP1561) modulates its nickel affinity via organic metallophores. Mol.Microbiol., 91, 2014
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4XAL
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5AWO
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![BU of 5awo by Molmil](/molmil-images/mine/5awo) | Arthrobacter globiformis T6 isomalto-dextranse | Descriptor: | ACETATE ION, Isomaltodextranase, PHOSPHATE ION | Authors: | Tonozuka, T. | Deposit date: | 2015-07-08 | Release date: | 2015-09-09 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Crystal Structure and Mutational Analysis of Isomalto-dextranase, a Member of Glycoside Hydrolase Family 27 J.Biol.Chem., 290, 2015
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5AZH
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![BU of 5azh by Molmil](/molmil-images/mine/5azh) | Crystal structure of LGG-2 fused with an EEEWEEL peptide | Descriptor: | EEEWEEL peptide,Protein lgg-2, MAGNESIUM ION | Authors: | Watanabe, Y, Fujioka, Y, Noda, N.N. | Deposit date: | 2015-10-05 | Release date: | 2015-12-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy. Mol.Cell, 60, 2015
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5B05
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![BU of 5b05 by Molmil](/molmil-images/mine/5b05) | Lysozyme (control experiment) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Kita, A, Morimoto, Y. | Deposit date: | 2015-10-28 | Release date: | 2016-01-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An Effective Deuterium Exchange Method for Neutron Crystal Structure Analysis with Unfolding-Refolding Processes Mol Biotechnol., 58, 2016
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1HQV
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![BU of 1hqv by Molmil](/molmil-images/mine/1hqv) | STRUCTURE OF APOPTOSIS-LINKED PROTEIN ALG-2 | Descriptor: | CALCIUM ION, PROGRAMMED CELL DEATH PROTEIN 6 | Authors: | Jia, J, Tarabykina, S, Hansen, C, Berchtold, M, Cygler, M. | Deposit date: | 2000-12-19 | Release date: | 2001-05-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of apoptosis-linked protein ALG-2: insights into Ca2+-induced changes in penta-EF-hand proteins. Structure, 9, 2001
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4ZQK
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![BU of 4zqk by Molmil](/molmil-images/mine/4zqk) | Structure of the complex of human programmed death-1 (PD-1) and its ligand PD-L1. | Descriptor: | Programmed cell death 1 ligand 1, Programmed cell death protein 1, SODIUM ION | Authors: | Zak, K.M, Dubin, G, Holak, T.A. | Deposit date: | 2015-05-10 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of the Complex of Human Programmed Death 1, PD-1, and Its Ligand PD-L1. Structure, 23, 2015
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5B4H
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![BU of 5b4h by Molmil](/molmil-images/mine/5b4h) | Crystal structure of I86D mutant of phycocyanobilin:ferredoxin oxidoreductase in complex with biliverdin (data 1) | Descriptor: | BILIVERDINE IX ALPHA, Phycocyanobilin:ferredoxin oxidoreductase | Authors: | Hagiwara, Y, Wada, K, Irikawa, T, Unno, M, Fukuyama, K, Sugishima, M. | Deposit date: | 2016-04-04 | Release date: | 2017-03-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Atomic-resolution structure of the phycocyanobilin:ferredoxin oxidoreductase I86D mutant in complex with fully protonated biliverdin FEBS Lett., 590, 2016
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5B4O
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![BU of 5b4o by Molmil](/molmil-images/mine/5b4o) | Crystal structure of Macrophage Migration Inhibitory Factor in complex with BTZO-14 | Descriptor: | 1,2-ETHANEDIOL, 2-pyridin-3-yl-1,3-benzothiazin-4-one, Macrophage migration inhibitory factor, ... | Authors: | Oki, H, Igaki, S, Moriya, Y, Hayano, Y, Habuka, N. | Deposit date: | 2016-04-07 | Release date: | 2016-04-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | BTZO-1, a cardioprotective agent, reveals that macrophage migration inhibitory factor regulates ARE-mediated gene expression Chem. Biol., 17, 2010
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6BSQ
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![BU of 6bsq by Molmil](/molmil-images/mine/6bsq) | Enterococcus faecalis Penicillin Binding Protein 4 (PBP4) | Descriptor: | CHLORIDE ION, GLYCEROL, PBP4 protein | Authors: | Moon, T.M, D'Andrea, E.D, Peti, W, Page, R. | Deposit date: | 2017-12-04 | Release date: | 2018-10-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance. J. Biol. Chem., 293, 2018
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6BVD
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![BU of 6bvd by Molmil](/molmil-images/mine/6bvd) | Structure of Botulinum Neurotoxin Serotype HA Light Chain | Descriptor: | ACETATE ION, CALCIUM ION, Light Chain, ... | Authors: | Jin, R, Lam, K. | Deposit date: | 2017-12-12 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural and biochemical characterization of the protease domain of the mosaic botulinum neurotoxin type HA. Pathog Dis, 76, 2018
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4ZBQ
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![BU of 4zbq by Molmil](/molmil-images/mine/4zbq) | Crystal Structure of Equine Serum Albumin in complex with Diclofenac | Descriptor: | (2S)-2-hydroxybutanedioic acid, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ACETATE ION, ... | Authors: | Sekula, B, Bujacz, A, Bujacz, G. | Deposit date: | 2015-04-15 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural Insights into the Competitive Binding of Diclofenac and Naproxen by Equine Serum Albumin. J.Med.Chem., 59, 2016
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4ZCW
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![BU of 4zcw by Molmil](/molmil-images/mine/4zcw) | Structure of Human Enolase 2 in complex with SF2312 | Descriptor: | Gamma-enolase, MAGNESIUM ION, [(3S,5S)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid | Authors: | Leonard, P.G, Maxwell, D, Czako, B, Muller, F.L. | Deposit date: | 2015-04-16 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.992 Å) | Cite: | SF2312 is a natural phosphonate inhibitor of enolase. Nat.Chem.Biol., 12, 2016
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5AZG
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![BU of 5azg by Molmil](/molmil-images/mine/5azg) | Crystal structure of LGG-1 complexed with a UNC-51 peptide | Descriptor: | CADMIUM ION, Protein lgg-1, Serine/threonine-protein kinase unc-51 | Authors: | Watanabe, Y, Fujioka, Y, Noda, N.N. | Deposit date: | 2015-10-05 | Release date: | 2015-12-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy. Mol.Cell, 60, 2015
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4ZDR
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![BU of 4zdr by Molmil](/molmil-images/mine/4zdr) | Crystal structure of 14-3-3[zeta]-LKB1 fusion protein | Descriptor: | 14-3-3 protein zeta/delta,GGSGGS linker,Serine/threonine-protein kinase STK11, GLYCEROL, PROPANE, ... | Authors: | Ding, S, Shi, Z.B. | Deposit date: | 2015-04-18 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.899 Å) | Cite: | Structure of the 14-3-3 zeta-LKB1 fusion protein provides insight into a novel ligand-binding mode of 14-3-3. Acta Crystallogr.,Sect.F, 71, 2015
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1YQM
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![BU of 1yqm by Molmil](/molmil-images/mine/1yqm) | Catalytically inactive human 8-oxoguanine glycosylase crosslinked to 7-deazaguanine containing DNA | Descriptor: | 5'-D(P*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*C)-3', 5'-D(P*GP*TP*CP*CP*AP*(7GU)P*GP*TP*CP*TP*AP*C)-3', CALCIUM ION, ... | Authors: | Banerjee, A, Yang, W, Karplus, M, Verdine, G.L. | Deposit date: | 2005-02-02 | Release date: | 2005-04-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of a repair enzyme interrogating undamaged DNA elucidates recognition of damaged DNA. Nature, 434, 2005
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1HN6
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5DPN
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![BU of 5dpn by Molmil](/molmil-images/mine/5dpn) | Engineered CBM X-2 L110F in complex with branched carbohydrate XXXG. | Descriptor: | CALCIUM ION, Xylanase, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Ohlin, M. | Deposit date: | 2015-09-13 | Release date: | 2015-10-28 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION | Cite: | Neutron Crystallographic Studies Reveal Hydrogen Bond and Water-Mediated Interactions between a Carbohydrate-Binding Module and Its Bound Carbohydrate Ligand. Biochemistry, 54, 2015
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8Q3F
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![BU of 8q3f by Molmil](/molmil-images/mine/8q3f) | |