4ZG9
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![BU of 4zg9 by Molmil](/molmil-images/mine/4zg9) | Structural basis for inhibition of human autotaxin by four novel compounds | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(11aS)-6-(4-fluorobenzyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]propanoic acid, ... | Authors: | Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F. | Deposit date: | 2015-04-22 | Release date: | 2015-10-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural Basis for Inhibition of Human Autotaxin by Four Potent Compounds with Distinct Modes of Binding. Mol.Pharmacol., 88, 2015
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5AEC
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![BU of 5aec by Molmil](/molmil-images/mine/5aec) | Type II Baeyer-Villiger monooxygenase.The oxygenating constituent of 3,6-diketocamphane monooxygenase from CAM plasmid of Pseudomonas putida in complex with FMN. | Descriptor: | 3,6-DIKETOCAMPHANE 1,6 MONOOXYGENASE, CHLORIDE ION, GLYCEROL, ... | Authors: | Isupov, M.N, Schroeder, E, Gibson, R.P, Beecher, J, Donadio, G, Saneei, V, Dcunha, S, McGhie, E.J, Sayer, C, Davenport, C.F, Lau, P.C, Hasegawa, Y, Iwaki, H, Kadow, M, Loschinski, K, Bornscheuer, U.T, Bourenkov, G, Littlechild, J.A. | Deposit date: | 2015-08-28 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | The Oxygenating Constituent of 3,6-Diketocamphane Monooxygenase from the Cam Plasmid of Pseudomonas Putida: The First Crystal Structure of a Type II Baeyer-Villiger Monooxygenase. Acta Crystallogr.,Sect.D, 71, 2015
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5Y7X
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![BU of 5y7x by Molmil](/molmil-images/mine/5y7x) | Human Peroxisome proliferator-activated receptor (PPAR) delta in complexed with a potent and selective agonist | Descriptor: | 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-selenazol-5-yl]methylsulfanyl]phenoxy]ethanoic acid, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Kim, H.L, Chin, J.W, Cho, S.J, Song, J.Y, Yoon, H.S, Bae, J.H. | Deposit date: | 2017-08-18 | Release date: | 2018-08-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Design, synthesis, and the X-ray co-crystal structure of Highly Potent, Selective, and Orally Bioavailable, Novel Peroxisome Proliferator-Activated Receptor delta Agonists To Be Published
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7Q9X
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![BU of 7q9x by Molmil](/molmil-images/mine/7q9x) | Crystal structure of Chromobacterium violaceum aminotransferase in complex with PLP-pyruvate adduct | Descriptor: | (3E)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-oxobut-3-enoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Isupov, M.N, Mitchell, D, Sayer, C, Littlechild, J.A. | Deposit date: | 2021-11-15 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Aminotransferase from Chromobacterium violaceum in complex with PLP-pyruvate adduct. To Be Published
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7Q9Z
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![BU of 7q9z by Molmil](/molmil-images/mine/7q9z) | Crystal structure of Chromobacterium violaceum aminotransferase in complex with PLP-pyruvate adduct | Descriptor: | (3E)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-oxobut-3-enoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Isupov, M.N, Mitchell, D, Sayer, C, Littlechild, J.A. | Deposit date: | 2021-11-15 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Aminotransferase from Chromobacterium violaceum in complex with PLP-pyruvate adduct. To Be Published
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4K71
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![BU of 4k71 by Molmil](/molmil-images/mine/4k71) | Crystal structure of a high affinity Human Serum Albumin variant bound to the Neonatal Fc Receptor | Descriptor: | Beta-2-microglobulin, IgG receptor FcRn large subunit p51, SULFATE ION, ... | Authors: | Schmidt, M.M, Townson, S.A, Andreucci, A, Dombrowski, C, Erbe, D.V, King, B, Kovalchin, J.T, Masci, A, Murillo, A, Schirmer, E.B, Furfine, E.S, Barnes, T.M. | Deposit date: | 2013-04-16 | Release date: | 2013-10-23 | Last modified: | 2014-02-05 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of an HSA/FcRn complex reveals recycling by competitive mimicry of HSA ligands at a pH-dependent hydrophobic interface. Structure, 21, 2013
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2JMI
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![BU of 2jmi by Molmil](/molmil-images/mine/2jmi) | NMR solution structure of PHD finger fragment of Yeast Yng1 protein in free state | Descriptor: | Protein YNG1, ZINC ION | Authors: | Ilin, S, Taverna, S.D, Rogers, R.S, Tanny, J.C, Lavender, H, Li, H, Baker, L, Boyle, J, Blair, L.P, Chait, B.T, Patel, D.J, Aitchison, J.D, Tackett, A.J, Allis, C.D. | Deposit date: | 2006-11-15 | Release date: | 2007-07-03 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Yng1 PHD finger binding to H3 trimethylated at K4 promotes NuA3 HAT activity at K14 of H3 and transcription at a subset of targeted ORFs Mol.Cell, 24, 2006
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6A6K
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![BU of 6a6k by Molmil](/molmil-images/mine/6a6k) | Crystal structure of Estrogen-related Receptor-3 (ERR-gamma) ligand binding domain with DN201000 | Descriptor: | 3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol, Estrogen-related receptor gamma | Authors: | Yoon, H, Kim, J, Chin, J, Cho, S.J, Song, J. | Deposit date: | 2018-06-28 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Estrogen-Related Receptor-gamma Inverse Agonists To Restore the Sodium Iodide Symporter Function in Anaplastic Thyroid Cancer. J. Med. Chem., 62, 2019
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7PLL
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![BU of 7pll by Molmil](/molmil-images/mine/7pll) | Structure of the murine cortactin C-SH3 domain in complex with a Pyk2 proline-rich ligand | Descriptor: | Pyk2-PRR2 peptide, Src substrate cortactin | Authors: | Sokolik, C.G, Samson, A.O, Gil-Henn, H, Chill, J.H. | Deposit date: | 2021-08-31 | Release date: | 2022-07-13 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | A novel Pyk2-derived peptide inhibits invadopodia-mediated breast cancer metastasis. Oncogene, 42, 2023
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6T92
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![BU of 6t92 by Molmil](/molmil-images/mine/6t92) | NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A complex of N120C mutant protein with the reduced form of the cofactor NADH and the substrate formate at a secondary site. | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Isupov, M.N, Yelmazer, B, De Rose, S.A, Littlechild, J.A. | Deposit date: | 2019-10-25 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Structural insights into the NAD + -dependent formate dehydrogenase mechanism revealed from the NADH complex and the formate NAD + ternary complex of the Chaetomium thermophilum enzyme. J.Struct.Biol., 212, 2020
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6T8Z
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![BU of 6t8z by Molmil](/molmil-images/mine/6t8z) | NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A ternary complex with the oxidised form of the cofactor NAD+ and the substrate formate both at a primary and secondary sites. | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | Authors: | Isupov, M.N, Yelmazer, B, De Rose, S.A, Littlechild, J.A. | Deposit date: | 2019-10-25 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Structural insights into the NAD + -dependent formate dehydrogenase mechanism revealed from the NADH complex and the formate NAD + ternary complex of the Chaetomium thermophilum enzyme. J.Struct.Biol., 212, 2020
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5AIF
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![BU of 5aif by Molmil](/molmil-images/mine/5aif) | Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic libraries. Tomsk-sample-Native | Descriptor: | IMIDAZOLE, LIMONENE-1,2-EPOXIDE HYDROLASE | Authors: | Ferrandi, E, Sayer, C, Isupov, M.N, Annovazzi, C, Marchesi, C, Iacobone, G, Peng, X, Bonch-Osmolovskaya, E, Wohlgemuth, R, Littlechild, J.A, Montia, D. | Deposit date: | 2015-02-13 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Discovery and Characterization of Thermophilic Limonene-1,2-Epoxide Hydrolases from Hot Spring Metagenomic Libraries FEBS J., 282, 2015
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2JMJ
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![BU of 2jmj by Molmil](/molmil-images/mine/2jmj) | NMR solution structure of the PHD domain from the yeast YNG1 protein in complex with H3(1-9)K4me3 peptide | Descriptor: | Histone H3, Protein YNG1, ZINC ION | Authors: | Ilin, S, Taverna, S.D, Rogers, R.S, Tanny, J.C, Lavender, H, Li, H, Baker, L, Boyle, J, Blair, L.P, Chait, B.T, Patel, D.J, Aitchison, J.D, Tackett, A.J, Allis, C.D. | Deposit date: | 2006-11-15 | Release date: | 2007-07-03 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Yng1 PHD finger binding to H3 trimethylated at K4 promotes NuA3 HAT activity at K14 of H3 and transcription at a subset of targeted ORFs Mol.Cell, 24, 2006
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2JG0
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![BU of 2jg0 by Molmil](/molmil-images/mine/2jg0) | Family 37 trehalase from Escherichia coli in complex with 1- thiatrehazolin | Descriptor: | N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucopyranosylamine, PERIPLASMIC TREHALASE | Authors: | Gibson, R.P, Gloster, T.M, Roberts, S, Warren, R.A.J, Storch De Gracia, I, Garcia, A, Chiara, J.L, Davies, G.J. | Deposit date: | 2007-02-07 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Molecular Basis for Trehalase Inhibition Revealed by the Structure of Trehalase in Complex with Potent Inhibitors. Angew.Chem.Int.Ed.Engl., 46, 2007
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2JF4
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![BU of 2jf4 by Molmil](/molmil-images/mine/2jf4) | Family 37 trehalase from Escherichia coli in complex with validoxylamine | Descriptor: | (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, PERIPLASMIC TREHALASE | Authors: | Gibson, R.P, Gloster, T.M, Roberts, S, Warren, R.A.J, Storch De Gracia, I, Garcia, A, Chiara, J.L, Davies, G.J. | Deposit date: | 2007-01-25 | Release date: | 2007-02-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular Basis for Trehalase Inhibition Revealed by the Structure of Trehalase in Complex with Potent Inhibitors. Angew.Chem.Int.Ed.Engl., 46, 2007
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2KDT
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![BU of 2kdt by Molmil](/molmil-images/mine/2kdt) | PC1/3 DCSG sorting domain structure in DPC | Descriptor: | Neuroendocrine convertase 1 | Authors: | Dikeakos, J.D, Di Lello, P, Lacombe, M.J, Ghirlando, R, Legault, P, Reudelhuber, T.L, Omichinski, J.G. | Deposit date: | 2009-01-19 | Release date: | 2009-04-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Functional and structural characterization of a dense core secretory granule sorting domain from the PC1/3 protease. Proc.Natl.Acad.Sci.USA, 106, 2009
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4ZNF
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![BU of 4znf by Molmil](/molmil-images/mine/4znf) | |
2KE3
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![BU of 2ke3 by Molmil](/molmil-images/mine/2ke3) | PC1/3 DCSG sorting domain in CHAPS | Descriptor: | Neuroendocrine convertase 1 | Authors: | Dikeakos, J.D, Di Lello, P, Lacombe, M.J, Ghirlando, R, Legault, P, Reudelhuber, T.L, Omichinski, J.G. | Deposit date: | 2009-01-22 | Release date: | 2009-04-14 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Functional and structural characterization of a dense core secretory granule sorting domain from the PC1/3 protease Proc.Natl.Acad.Sci.USA, 106, 2009
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2GAT
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![BU of 2gat by Molmil](/molmil-images/mine/2gat) | SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF CHICKEN GATA-1 BOUND TO DNA, NMR, REGULARIZED MEAN STRUCTURE | Descriptor: | DNA (5'-D(*AP*AP*TP*GP*TP*TP*TP*AP*TP*CP*TP*GP*CP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*GP*CP*AP*GP*AP*TP*AP*AP*AP*CP*AP*TP*T)-3'), ERYTHROID TRANSCRIPTION FACTOR GATA-1, ... | Authors: | Clore, G.M, Tjandra, N, Starich, M, Omichinski, J.G, Gronenborn, A.M. | Deposit date: | 1997-11-07 | Release date: | 1998-01-28 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Use of dipolar 1H-15N and 1H-13C couplings in the structure determination of magnetically oriented macromolecules in solution. Nat.Struct.Biol., 4, 1997
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2GS0
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![BU of 2gs0 by Molmil](/molmil-images/mine/2gs0) | NMR structure of the complex between the PH domain of the Tfb1 subunit from TFIIH and the activation domain of p53 | Descriptor: | Cellular tumor antigen p53, RNA polymerase II transcription factor B subunit 1 | Authors: | Di Lello, P, Jones, T.N, Nguyen, B.D, Legault, P, Omichinski, J.G. | Deposit date: | 2006-04-25 | Release date: | 2006-10-31 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the Tfb1/p53 complex: Insights into the interaction between the p62/Tfb1 subunit of TFIIH and the activation domain of p53. Mol.Cell, 22, 2006
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2L2I
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![BU of 2l2i by Molmil](/molmil-images/mine/2l2i) | |
2K2U
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![BU of 2k2u by Molmil](/molmil-images/mine/2k2u) | NMR Structure of the complex between Tfb1 subunit of TFIIH and the activation domain of VP16 | Descriptor: | Alpha trans-inducing protein, RNA polymerase II transcription factor B subunit 1 | Authors: | Langlois, C, Mas, C, Di Lello, P, Miller Jenkins, P.M, Legault, J, Omichinski, J.G. | Deposit date: | 2008-04-11 | Release date: | 2008-08-12 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR Structure of the Complex between the Tfb1 Subunit of TFIIH and the Activation Domain of VP16: Structural Similarities between VP16 and p53. J.Am.Chem.Soc., 130, 2008
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6UYO
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![BU of 6uyo by Molmil](/molmil-images/mine/6uyo) | Crystal structure of K37-acetylated SUMO1 in complex with PML-SIM | Descriptor: | Protein PML, Small ubiquitin-related modifier 1 | Authors: | Wahba, H.M, Gagnon, C, Mascle, X.H, Lussier-Price, M, Sakaguchi, K, Omichinski, J.G. | Deposit date: | 2019-11-14 | Release date: | 2019-11-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.639 Å) | Cite: | Acetylation of SUMO1 Alters Interactions with the SIMs of PML and Daxx in a Protein-Specific Manner. Structure, 28, 2020
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6UYX
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![BU of 6uyx by Molmil](/molmil-images/mine/6uyx) | Crystal structure of K37-acetylated SUMO1 in complex with phosphorylated DAXX | Descriptor: | Small ubiquitin-related modifier 1, phosphorylated DAXX | Authors: | Wahba, H.M, Gagnon, C, Mascle, X.H, Lussier-Price, M, Cappadocia, L, Sakaguchi, K, Omichinski, J.G. | Deposit date: | 2019-11-14 | Release date: | 2019-11-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Acetylation of SUMO1 Alters Interactions with the SIMs of PML and Daxx in a Protein-Specific Manner. Structure, 28, 2020
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5C0U
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![BU of 5c0u by Molmil](/molmil-images/mine/5c0u) | Crystal structure of the copper-bound form of MerB mutant D99S | Descriptor: | Alkylmercury lyase, BROMIDE ION, COPPER (II) ION | Authors: | Wahba, H.M, Lecoq, L, Stevenson, M, Mansour, A, Cappadocia, L, Lafrance-Vanasse, J, Wilkinson, K.J, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | Deposit date: | 2015-06-12 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural and Biochemical Characterization of a Copper-Binding Mutant of the Organomercurial Lyase MerB: Insight into the Key Role of the Active Site Aspartic Acid in Hg-Carbon Bond Cleavage and Metal Binding Specificity. Biochemistry, 55, 2016
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