3CDM
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![BU of 3cdm by Molmil](/molmil-images/mine/3cdm) | Structural adaptation and conservation in quadruplex-drug recognition | Descriptor: | 2,7-bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, DNA (5'-D(*DT*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DGP*DTP*DTP*DAP*DGP*DGP*DG)-3'), POTASSIUM ION | Authors: | Parkinson, G.N, Neidle, S. | Deposit date: | 2008-02-27 | Release date: | 2008-09-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Topology conservation and loop flexibility in quadruplex-drug recognition: crystal structures of inter- and intramolecular telomeric DNA quadruplex-drug complexes J.Mol.Biol., 381, 2008
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6XA1
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![BU of 6xa1 by Molmil](/molmil-images/mine/6xa1) | |
2WME
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![BU of 2wme by Molmil](/molmil-images/mine/2wme) | Crystallographic structure of betaine aldehyde dehydrogenase from Pseudomonas aeruginosa | Descriptor: | BETA-MERCAPTOETHANOL, BETAINE ALDEHYDE DEHYDROGENASE, GLYCEROL, ... | Authors: | Gonzalez-Segura, L, Rudino-Pinera, E, Munoz-Clares, R.A, Horjales, E. | Deposit date: | 2009-06-30 | Release date: | 2009-08-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Crystal Structure of a Ternary Complex of Betaine Aldehyde Dehydrogenase from Pseudomonas Aeruginosa Provides New Insight Into the Reaction Mechanism and Shows a Novel Binding Mode of the 2'- Phosphate of Nadp(+) and a Novel Cation Binding Site. J.Mol.Biol., 385, 2009
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2XDR
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![BU of 2xdr by Molmil](/molmil-images/mine/2xdr) | CRYSTALLOGRAPHIC STRUCTURE OF BETAINE ALDEHYDE DEHYDROGENASE MUTANT E252A FROM PSEUDOMONAS AERUGINOSA | Descriptor: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, BETAINE ALDEHYDE DEHYDROGENASE, GLYCEROL, ... | Authors: | Diaz-Sanchez, A.G, Gonzalez-Segura, L, Rudino-Pinera, E, Lira-Rocha, A, Munoz-Clares, R.A. | Deposit date: | 2010-05-06 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | A Novel Cysteine-Nadph Covalent Adduct in Pseudomonas Aeruginosa Betaine Aldehyde Dehydrogenase Suggests Important Roles for the Reduced Nucleotide in the Reaction Mechanism To be Published
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1MAG
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3ZQA
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![BU of 3zqa by Molmil](/molmil-images/mine/3zqa) | CRYSTALLOGRAPHIC STRUCTURE OF BETAINE ALDEHYDE DEHYDROGENASE MUTANT C286A FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH NADPH | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, BETAINE ALDEHYDE DEHYDROGENASE, ... | Authors: | Diaz-Sanchez, A.G, Gonzalez-Segura, L, Rudino-Pinera, E, Lira-Rocha, A, Torres-Larios, A, Munoz-Clares, R.A. | Deposit date: | 2011-06-08 | Release date: | 2011-10-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Novel Nadph-Cysteine Covalent Adduct Found in the Active Site of an Aldehyde Dehydrogenase. Biochem.J., 439, 2011
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4A0M
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![BU of 4a0m by Molmil](/molmil-images/mine/4a0m) | CRYSTAL STRUCTURE OF BETAINE ALDEHYDE DEHYDROGENASE FROM SPINACH IN COMPLEX WITH NAD | Descriptor: | BETAINE ALDEHYDE DEHYDROGENASE, CHLOROPLASTIC, GLYCEROL, ... | Authors: | Gonzalez-Segura, L, Rudino-Pinera, E, Diaz-Sanchez, A.G, Munoz-Clares, R.A. | Deposit date: | 2011-09-09 | Release date: | 2012-04-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Amino Acid Residues Critical for the Specificity for Betaine Aldehyde of the Plant Aldh10 Isoenzyme Involved in the Synthesis of Glycine Betaine. Plant Physiol., 158, 2012
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8G61
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![BU of 8g61 by Molmil](/molmil-images/mine/8g61) | mRNA decoding in human is kinetically and structurally distinct from bacteria (AC state) | Descriptor: | 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ... | Authors: | Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C. | Deposit date: | 2023-02-14 | Release date: | 2023-04-19 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | mRNA decoding in human is kinetically and structurally distinct from bacteria. Nature, 617, 2023
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3LKI
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8GLP
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![BU of 8glp by Molmil](/molmil-images/mine/8glp) | mRNA decoding in human is kinetically and structurally distinct from bacteria (Consensus LSU focused refined structure) | Descriptor: | 1,4-DIAMINOBUTANE, 18S rRNA, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Watson, Z.L, Altman, R.B, Blanchard, S.C. | Deposit date: | 2023-03-22 | Release date: | 2023-04-19 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (1.67 Å) | Cite: | mRNA decoding in human is kinetically and structurally distinct from bacteria. Nature, 617, 2023
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8G5Z
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![BU of 8g5z by Molmil](/molmil-images/mine/8g5z) | mRNA decoding in human is kinetically and structurally distinct from bacteria (GA state) | Descriptor: | 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ... | Authors: | Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C. | Deposit date: | 2023-02-14 | Release date: | 2023-04-19 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.64 Å) | Cite: | mRNA decoding in human is kinetically and structurally distinct from bacteria. Nature, 617, 2023
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8G6J
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![BU of 8g6j by Molmil](/molmil-images/mine/8g6j) | mRNA decoding in human is kinetically and structurally distinct from bacteria (GA state 2) | Descriptor: | (3R,6R,9S,12S,15S,18S,20R,24aR)-6-[(2S)-butan-2-yl]-3,12-bis[(1R)-1-hydroxy-2-methylpropyl]-8,9,11,17,18-pentamethyl-15-[(2S)-2-methylbutyl]hexadecahydropyrido[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosine-1,4,7,10,13,16,19(21H)-heptone, (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, 1,4-DIAMINOBUTANE, ... | Authors: | Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C. | Deposit date: | 2023-02-15 | Release date: | 2023-04-19 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | mRNA decoding in human is kinetically and structurally distinct from bacteria. Nature, 617, 2023
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8G5Y
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![BU of 8g5y by Molmil](/molmil-images/mine/8g5y) | mRNA decoding in human is kinetically and structurally distinct from bacteria (IC state) | Descriptor: | 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ... | Authors: | Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C. | Deposit date: | 2023-02-14 | Release date: | 2023-04-19 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.29 Å) | Cite: | mRNA decoding in human is kinetically and structurally distinct from bacteria. Nature, 617, 2023
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8G60
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![BU of 8g60 by Molmil](/molmil-images/mine/8g60) | mRNA decoding in human is kinetically and structurally distinct from bacteria (CR state) | Descriptor: | 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ... | Authors: | Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C. | Deposit date: | 2023-02-14 | Release date: | 2023-04-19 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.54 Å) | Cite: | mRNA decoding in human is kinetically and structurally distinct from bacteria. Nature, 617, 2023
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4IN9
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![BU of 4in9 by Molmil](/molmil-images/mine/4in9) | Structure of karilysin MMP-like catalytic domain in complex with inhibitory tetrapeptide SWFP | Descriptor: | GLYCEROL, Karilysin protease, POTASSIUM ION, ... | Authors: | Guevara, T, Ksiazek, M, Skottrup, P.D, Cerda-Costa, N, Trillo-Muyo, S, de Diego, I, Riise, E, Potempa, J, Gomis-Ruth, F.X. | Deposit date: | 2013-01-04 | Release date: | 2013-05-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure of the catalytic domain of the Tannerella forsythia matrix metallopeptidase karilysin in complex with a tetrapeptidic inhibitor. Acta Crystallogr.,Sect.F, 69, 2013
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6F29
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![BU of 6f29 by Molmil](/molmil-images/mine/6f29) | Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2-Amino-2-carboxyethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.6A | Descriptor: | (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, Glutamate receptor ionotropic, ... | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2017-11-23 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | ( S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements and Structural and Biological Investigation. J. Med. Chem., 61, 2018
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4EHQ
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![BU of 4ehq by Molmil](/molmil-images/mine/4ehq) | Crystal Structure of Calmodulin Binding Domain of Orai1 in Complex with Ca2+/Calmodulin Displays a Unique Binding Mode | Descriptor: | CALCIUM ION, Calcium release-activated calcium channel protein 1, Calmodulin, ... | Authors: | Liu, Y, Zheng, X, Mueller, G.A, Sobhany, M, DeRose, E.F, Zhang, Y, London, R.E, Birnbaumer, L. | Deposit date: | 2012-04-03 | Release date: | 2012-11-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9005 Å) | Cite: | Crystal structure of calmodulin binding domain of orai1 in complex with ca2+*calmodulin displays a unique binding mode. J.Biol.Chem., 287, 2012
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5JZX
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![BU of 5jzx by Molmil](/molmil-images/mine/5jzx) | Crystal Structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Mycobacterium tuberculosis | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, POTASSIUM ION, UDP-N-acetylenolpyruvoylglucosamine reductase | Authors: | Dharavath, S, Eniyan, K, Bajpai, U, Gourinath, S. | Deposit date: | 2016-05-17 | Release date: | 2017-05-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of UDP-N-acetylglucosamine-enolpyruvate reductase (MurB) from Mycobacterium tuberculosis Biochim. Biophys. Acta, 1866, 2017
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7M17
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![BU of 7m17 by Molmil](/molmil-images/mine/7m17) | SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-1) | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid, Volume-regulated anion channel subunit LRRC8A | Authors: | Kern, D.M, Gerber, E.E, Brohawn, S.G. | Deposit date: | 2021-03-12 | Release date: | 2021-03-24 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | Small molecule SWELL1 complex induction improves glycemic control and nonalcoholic fatty liver disease in murine Type 2 diabetes. Nat Commun, 13, 2022
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7M19
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![BU of 7m19 by Molmil](/molmil-images/mine/7m19) | SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-2) | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid, Volume-regulated anion channel subunit LRRC8A | Authors: | Kern, D.M, Gerber, E.E, Brohawn, S.G. | Deposit date: | 2021-03-12 | Release date: | 2021-03-24 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.69 Å) | Cite: | Small molecule SWELL1 complex induction improves glycemic control and nonalcoholic fatty liver disease in murine Type 2 diabetes. Nat Commun, 13, 2022
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3L8D
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![BU of 3l8d by Molmil](/molmil-images/mine/3l8d) | Crystal structure of methyltransferase from Bacillus Thuringiensis | Descriptor: | Methyltransferase, POTASSIUM ION | Authors: | Fedorov, A.A, Fedorov, E.V, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-12-30 | Release date: | 2010-01-12 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of methyltransferase from Bacillus Thuringiensis To be Published
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6T9R
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![BU of 6t9r by Molmil](/molmil-images/mine/6t9r) | Aplysia californica AChBP in complex with a cytisine derivative | Descriptor: | (1~{R},9~{S})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine binding protein, ... | Authors: | Davis, S, Hunter, W.N. | Deposit date: | 2019-10-28 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The thermodynamic profile and molecular interactions of a C(9)-cytisine derivative-binding acetylcholine-binding protein from Aplysia californica. Acta Crystallogr.,Sect.F, 76, 2020
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6RJN
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![BU of 6rjn by Molmil](/molmil-images/mine/6rjn) | Crystal structure of a Fungal Catalase at 2.3 Angstroms | Descriptor: | CHLORIDE ION, Catalase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gomez, S, Navas-Yuste, S, Payne, A.M, Rivera, W, Lopez-Estepa, M, Brangbour, C, Fulla, D, Juanhuix, J, Fernandez, F.J, Vega, M.C. | Deposit date: | 2019-04-28 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.295 Å) | Cite: | Peroxisomal catalases from the yeasts Pichia pastoris and Kluyveromyces lactis as models for oxidative damage in higher eukaryotes. Free Radic. Biol. Med., 141, 2019
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2EZ2
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![BU of 2ez2 by Molmil](/molmil-images/mine/2ez2) | Apo tyrosine phenol-lyase from Citrobacter freundii at pH 8.0 | Descriptor: | PHOSPHATE ION, POTASSIUM ION, Tyrosine phenol-lyase | Authors: | Milic, D, Matkovic-Calogovic, D, Demidkina, T.V, Antson, A.A. | Deposit date: | 2005-11-10 | Release date: | 2006-07-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structures of apo- and holo-tyrosine phenol-lyase reveal a catalytically critical closed conformation and suggest a mechanism for activation by K+ ions Biochemistry, 45, 2006
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2G50
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![BU of 2g50 by Molmil](/molmil-images/mine/2g50) | The location of the allosteric amino acid binding site of muscle pyruvate kinase. | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ALANINE, ... | Authors: | Holyoak, T, Williams, R, Fenton, A.W. | Deposit date: | 2006-02-22 | Release date: | 2006-05-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Differentiating a Ligand's Chemical Requirements for Allosteric Interactions from Those for Protein Binding. Phenylalanine Inhibition of Pyruvate Kinase. Biochemistry, 45, 2006
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