1U35
 
 | | Crystal structure of the nucleosome core particle containing the histone domain of macroH2A | | Descriptor: | H2A histone family, Hist1h4i protein, Histone H3.1, ... | | Authors: | Chakravarthy, S, Gundimella, S.K, Caron, C, Perche, P.Y, Pehrson, J.R, Khochbin, S, Luger, K. | | Deposit date: | 2004-07-20 | | Release date: | 2005-09-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural characterization of the histone variant macroH2A.
Mol.Cell.Biol., 25, 2005
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3IS4
 | | Crystal structure of Leishmania mexicana pyruvate kinase (LmPYK)in complex with 1,3,6,8-pyrenetetrasulfonic acid | | Descriptor: | GLYCEROL, Pyruvate kinase, pyrene-1,3,6,8-tetrasulfonic acid | | Authors: | Walkinshaw, M.D, Morgan, H.P. | | Deposit date: | 2009-08-25 | | Release date: | 2010-03-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An improved strategy for the crystallization of Leishmania mexicana pyruvate kinase
Acta Crystallogr.,Sect.F, 66, 2010
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3FEJ
 | | Design and biological evaluation of novel, balanced dual PPARa/g agonists | | Descriptor: | (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, Peroxisome proliferator-activated receptor gamma, peptide motif 3 of Nuclear receptor coactivator 1 | | Authors: | Benz, J, Grether, U, Gsell, B, Binggeli, A, Hilpert, H, Kuhn, B, Maerki, H.P, Mohr, P, Ruf, A, Stihle, M. | | Deposit date: | 2008-11-30 | | Release date: | 2009-10-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4, 2009
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3IK2
 | | Crystal Structure of a Glycoside Hydrolase Family 44 Endoglucanase produced by Clostridium acetobutylium ATCC 824 | | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Warner, C.D, Hoy, J.A, Ford, C.F, Honzatko, R.B, Reilly, P.J. | | Deposit date: | 2009-08-05 | | Release date: | 2009-08-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Tertiary structure and characterization of a glycoside hydrolase family 44 endoglucanase from Clostridium acetobutylicum.
Appl.Environ.Microbiol., 76, 2010
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3FF6
 | | Human ACC2 CT domain with CP-640186 | | Descriptor: | (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-4-YLCARBONYL)-1,4'-BIPIPERIDINE, Acetyl-CoA carboxylase 2 | | Authors: | Williams, S.P, Madauss, K.P, Burkhart, W.A. | | Deposit date: | 2008-12-02 | | Release date: | 2009-05-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | The human ACC2 CT-domain C-terminus is required for full functionality and has a novel twist.
Acta Crystallogr.,Sect.D, 65, 2009
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6MGL
 | | Crystal structure of the catalytic domain from GH74 enzyme PoGH74 from Paenibacillus odorifer, D60A mutant in complex with XXLG and XGXXLG xyloglucan | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Stogios, P.J, Skarina, T, Arnal, G, Watanabe, N, Brumer, H, Savchenko, A. | | Deposit date: | 2018-09-14 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural enzymology reveals the molecular basis of substrate regiospecificity and processivity of an exemplar bacterial glycoside hydrolase family 74endo-xyloglucanase.
Biochem. J., 475, 2018
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6ATW
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2IU3
 | | Crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | | Descriptor: | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION | | Authors: | Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | | Deposit date: | 2006-05-27 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-based design, synthesis, evaluation, and crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase.
J. Biol. Chem., 282, 2007
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7WIK
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3FO7
 | | Simultaneous inhibition of anti-coagulation and inflammation: Crystal structure of phospholipase A2 complexed with indomethacin at 1.4 A resolution reveals the presence of the new common ligand binding site | | Descriptor: | INDOMETHACIN, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION | | Authors: | Singh, N, Prem Kumar, R, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2008-12-29 | | Release date: | 2009-01-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Simultaneous inhibition of anti-coagulation and inflammation: Crystal structure of phospholipase A2 complexed with indomethacin at 1.4 A resolution reveals the presence of the new common ligand binding site
To be Published
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4E6P
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6EVC
 | | Structure of E282Q A. niger Fdc1 in complex with pentafluoro-cinnamic acid | | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... | | Authors: | Bailey, S.S, David, L, Payne, K.A.P. | | Deposit date: | 2017-11-01 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
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8D9O
 | | De Novo Photosynthetic Reaction Center Protein in Apo-State | | Descriptor: | CADMIUM ION, Reaction Center Maquette | | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | | Deposit date: | 2022-06-10 | | Release date: | 2022-09-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Rational design of photosynthetic reaction center protein maquettes.
Front Mol Biosci, 9, 2022
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3EWH
 | | Crystal structure of the VEGFR2 kinase domain in complex with a pyridyl-pyrimidine benzimidazole inhibitor | | Descriptor: | 1,2-ETHANEDIOL, N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine, vascular endothelial growth factor receptor 2 | | Authors: | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | | Deposit date: | 2008-10-15 | | Release date: | 2009-08-25 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.
Bioorg.Med.Chem.Lett., 19, 2009
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6EW3
 | | Crystal structure of the metallo-beta-lactamase VIM-2 with ML302F | | Descriptor: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Collins, P.M, Brem, J, McDonough, M.A, van Berkel, S.S, von Delft, F, Schofield, C.J. | | Deposit date: | 2017-11-03 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
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6MTS
 | | Crystal structure of VRC43.03 Fab | | Descriptor: | Antibody VRC43.03 Fab heavy chain, Antibody VRC43.03 Fab light chain | | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Doria-Rose, N.A, Kwong, P.D. | | Deposit date: | 2018-10-21 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.437 Å) | | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
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6EWK
 | | T. californica AChE in complex with a 3-hydroxy-2-pyridine aldoxime. | | Descriptor: | 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | Authors: | de la Mora, E, Weik, M, Braiki, A, Mougeot, R, Jean, L, Renard, P.I. | | Deposit date: | 2017-11-04 | | Release date: | 2018-11-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood-Brain Barrier Penetration.
Chemistry, 24, 2018
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6I03
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2J67
 | | The TIR domain of human Toll-Like Receptor 10 (TLR10) | | Descriptor: | TOLL LIKE RECEPTOR 10 | | Authors: | Stenmark, P, Ogg, D, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kotenyova, T, Magnusdottir, A, Nilsson, M.E, Nilsson-Ehle, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Welin, M, Nordlund, P. | | Deposit date: | 2006-09-26 | | Release date: | 2006-09-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Crystal Structure of the Human Toll-Like Receptor 10 Cytoplasmic Domain Reveals a Putative Signaling Dimer.
J.Biol.Chem., 283, 2008
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6VAD
 | | Fanconi Anemia ID complex | | Descriptor: | Fanconi anemia group D2 protein, Fanconi anemia, complementation group I | | Authors: | Pavletich, N.P. | | Deposit date: | 2019-12-17 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | DNA clamp function of the monoubiquitinated Fanconi anaemia ID complex.
Nature, 580, 2020
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2IU0
 | | crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | | Descriptor: | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION | | Authors: | Xu, L, Chong, Y, Hwang, I, Onofrio, A.D, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | | Deposit date: | 2006-05-26 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structure-Based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase
J.Biol.Chem., 282, 2007
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3J89
 | | Structural Plasticity of Helical Nanotubes Based on Coiled-Coil Assemblies | | Descriptor: | synthetic peptide | | Authors: | Egelman, E.H, Xu, C, DiMaio, F, Magnotti, E, Modlin, C, Yu, X, Wright, E, Baker, D, Conticello, V.P. | | Deposit date: | 2014-10-07 | | Release date: | 2015-02-11 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural plasticity of helical nanotubes based on coiled-coil assemblies.
Structure, 23, 2015
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8DGL
 | | Crystal Structure of the RdfS Excisionase | | Descriptor: | CHLORIDE ION, GLYCEROL, Recombination Directionality Factor RdfS | | Authors: | Verdonk, C.J, Ramsay, J.P, Marshall, A.C, Bond, C.S. | | Deposit date: | 2022-06-24 | | Release date: | 2022-10-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystallographic and X-ray scattering study of RdfS, a recombination directionality factor from an integrative and conjugative element.
Acta Crystallogr D Struct Biol, 78, 2022
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1FRT
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3M30
 | | Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues | | Descriptor: | 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ... | | Authors: | Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M. | | Deposit date: | 2010-03-08 | | Release date: | 2010-09-15 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
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