1U35
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![BU of 1u35 by Molmil](/molmil-images/mine/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
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![BU of 3is4 by Molmil](/molmil-images/mine/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
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![BU of 3fej by Molmil](/molmil-images/mine/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
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![BU of 3ik2 by Molmil](/molmil-images/mine/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
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![BU of 3ff6 by Molmil](/molmil-images/mine/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
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![BU of 6mgl by Molmil](/molmil-images/mine/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
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![BU of 2iu3 by Molmil](/molmil-images/mine/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
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![BU of 3fo7 by Molmil](/molmil-images/mine/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
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![BU of 6evc by Molmil](/molmil-images/mine/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
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![BU of 8d9o by Molmil](/molmil-images/mine/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
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![BU of 3ewh by Molmil](/molmil-images/mine/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
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![BU of 6ew3 by Molmil](/molmil-images/mine/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
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![BU of 6mts by Molmil](/molmil-images/mine/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
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![BU of 6ewk by Molmil](/molmil-images/mine/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
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![BU of 2j67 by Molmil](/molmil-images/mine/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
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![BU of 6vad by Molmil](/molmil-images/mine/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
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![BU of 2iu0 by Molmil](/molmil-images/mine/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
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![BU of 3j89 by Molmil](/molmil-images/mine/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
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![BU of 8dgl by Molmil](/molmil-images/mine/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
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![BU of 3m30 by Molmil](/molmil-images/mine/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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