1E5V
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![BU of 1e5v by Molmil](/molmil-images/mine/1e5v) | OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES BUFFER | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ... | Authors: | Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C. | Deposit date: | 2000-08-03 | Release date: | 2000-08-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family Biochemistry, 39, 2000
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2FXE
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![BU of 2fxe by Molmil](/molmil-images/mine/2fxe) | X-ray crystal structure of HIV-1 protease CRM mutant complexed with atazanavir (BMS-232632) | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ... | Authors: | Sheriff, S, Klei, H.E. | Deposit date: | 2006-02-05 | Release date: | 2007-02-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystal structures of human immunodeficiency virus type 1 protease mutants complexed with atazanavir. J.Virol., 81, 2007
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3UEG
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![BU of 3ueg by Molmil](/molmil-images/mine/3ueg) | Crystal structure of human Survivin K62A mutant | Descriptor: | 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 5, TETRAETHYLENE GLYCOL, ... | Authors: | Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W. | Deposit date: | 2011-10-30 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres. Mol.Biol.Cell, 23, 2012
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2FXD
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![BU of 2fxd by Molmil](/molmil-images/mine/2fxd) | X-ray crystal structure of HIV-1 protease IRM mutant complexed with atazanavir (BMS-232632) | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ... | Authors: | Klei, H.E, Sheriff, S. | Deposit date: | 2006-02-04 | Release date: | 2007-02-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray crystal structures of human immunodeficiency virus type 1 protease mutants complexed with atazanavir. J.Virol., 81, 2007
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1EKH
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![BU of 1ekh by Molmil](/molmil-images/mine/1ekh) | NMR STRUCTURE OF D(TTGGCCAA)2 BOUND TO CHROMOMYCIN-A3 AND COBALT | Descriptor: | (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-4-O-acetyl-2,6-dideoxy-beta-D-galactopyranose, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-beta-D-Olivopyranose-(1-3)-beta-D-Olivopyranose, ... | Authors: | Gochin, M. | Deposit date: | 2000-03-08 | Release date: | 2000-03-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A high-resolution structure of a DNA-chromomycin-Co(II) complex determined from pseudocontact shifts in nuclear magnetic resonance. Structure Fold.Des., 8, 2000
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2LLJ
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![BU of 2llj by Molmil](/molmil-images/mine/2llj) | Structure of a bis-naphthalene bound to a thymine-thymine DNA mismatch | Descriptor: | 6,22-dioxa-3,9,19,25-tetraazoniapentacyclo[25.5.3.3~11,17~.0~14,37~.0~30,34~]octatriaconta-1(33),11(38),12,14(37),15,17(36),27,29,31,34-decaene, DNA (5'-D(*CP*GP*TP*CP*GP*TP*AP*GP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*CP*TP*TP*CP*GP*AP*CP*G)-3') | Authors: | Jourdan, M, Granzhan, A, Guillot, R, Dumy, P, Teulade-Fichou, M. | Deposit date: | 2011-11-10 | Release date: | 2013-02-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Double threading through DNA: NMR structural study of a bis-naphthalene macrocycle bound to a thymine-thymine mismatch. Nucleic Acids Res., 40, 2012
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2L74
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![BU of 2l74 by Molmil](/molmil-images/mine/2l74) | Solution structure of the PilZ domain protein PA4608 complex with c-di-GMP identifies charge clustering as molecular readout | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Putative uncharacterized protein PA4608 | Authors: | Habazettl, J, Allan, M, Jenal, U, Grzesiek, S. | Deposit date: | 2010-12-02 | Release date: | 2011-02-09 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the PilZ domain protein PA4608 complex with cyclic di-GMP identifies charge clustering as molecular readout J.Biol.Chem., 286, 2011
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2Z1C
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![BU of 2z1c by Molmil](/molmil-images/mine/2z1c) | Crystal structure of HypC from Thermococcus kodakaraensis KOD1 | Descriptor: | GLYCEROL, Hydrogenase expression/formation protein HypC, TETRAETHYLENE GLYCOL | Authors: | Watanabe, S, Matsumi, R, Arai, T, Atomi, H, Imanaka, T, Miki, K. | Deposit date: | 2007-05-08 | Release date: | 2007-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of [NiFe] Hydrogenase Maturation Proteins HypC, HypD, and HypE: Insights into Cyanation Reaction by Thiol Redox Signaling Mol.Cell, 27, 2007
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7UVU
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![BU of 7uvu by Molmil](/molmil-images/mine/7uvu) | Crystal structure of human ClpP protease in complex with TR-107 | Descriptor: | 3-({3-[(4-chlorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile, ATP-dependent Clp protease proteolytic subunit, mitochondrial | Authors: | Mabanglo, M.F, Houry, W.A. | Deposit date: | 2022-05-02 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome. Structure, 31, 2023
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2Z4E
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2J78
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![BU of 2j78 by Molmil](/molmil-images/mine/2j78) | Beta-glucosidase from Thermotoga maritima in complex with gluco- hydroximolactam | Descriptor: | (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | Deposit date: | 2006-10-06 | Release date: | 2006-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics. J.Am.Chem.Soc., 129, 2007
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7UW0
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![BU of 7uw0 by Molmil](/molmil-images/mine/7uw0) | Crystal structure of human ClpP protease in complex with TR-133 | Descriptor: | 3-({3-[(4-bromophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile, ATP-dependent Clp protease proteolytic subunit, mitochondrial | Authors: | Mabanglo, M.F, Houry, W.A. | Deposit date: | 2022-05-02 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome. Structure, 31, 2023
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5ONO
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![BU of 5ono by Molmil](/molmil-images/mine/5ono) | Crystal Structure of Ectoine Synthase from P. lautus | Descriptor: | (4S)-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, FE (III) ION, L-ectoine synthase | Authors: | Bremer, E. | Deposit date: | 2017-08-04 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Illuminating the catalytic core of ectoine synthase through structural and biochemical analysis. Sci Rep, 9, 2019
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2ZBG
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![BU of 2zbg by Molmil](/molmil-images/mine/2zbg) | Calcium pump crystal structure with bound AlF4 and TG in the absence of calcium | Descriptor: | MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ... | Authors: | Toyoshima, C, Ogawa, H, Norimatsu, Y. | Deposit date: | 2007-10-20 | Release date: | 2007-12-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | How processing of aspartylphosphate is coupled to lumenal gating of the ion pathway in the calcium pump Proc.Natl.Acad.Sci.Usa, 104, 2007
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5OST
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![BU of 5ost by Molmil](/molmil-images/mine/5ost) | Beta-glucosidase from Thermoanaerobacterium xylolyticum GH116 in complex with Gluco-1H-imidazole | Descriptor: | (4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Davies, G.J, Offen, W.A. | Deposit date: | 2017-08-18 | Release date: | 2018-04-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Gluco-1 H-imidazole: A New Class of Azole-Type beta-Glucosidase Inhibitor. J. Am. Chem. Soc., 140, 2018
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2J7C
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![BU of 2j7c by Molmil](/molmil-images/mine/2j7c) | Beta-glucosidase from Thermotoga maritima in complex with phenylaminomethyl-derived glucoimidazole | Descriptor: | (5R,6R,7S,8S)-3-(ANILINOMETHYL)-5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ACETATE ION, BETA-GLUCOSIDASE A, ... | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | Deposit date: | 2006-10-06 | Release date: | 2006-10-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics. J.Am.Chem.Soc., 129, 2007
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5OX5
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![BU of 5ox5 by Molmil](/molmil-images/mine/5ox5) | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with CCT6, a GSK1278863-related compound | Descriptor: | (6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine, BICARBONATE ION, Egl nine homolog 1, ... | Authors: | Chowdhury, R, Thinnes, C.C, Schofield, C.J. | Deposit date: | 2017-09-06 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials. Chem Sci, 8, 2017
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3DFF
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![BU of 3dff by Molmil](/molmil-images/mine/3dff) | The crystal structure of teicoplanin pseudoaglycone deacetylase Orf2 | Descriptor: | GLYCEROL, TETRAETHYLENE GLYCOL, Teicoplanin pseudoaglycone deacetylases Orf2, ... | Authors: | Zou, Y, Brunzelle, J.S, Nair, S.K. | Deposit date: | 2008-06-11 | Release date: | 2008-07-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of lipoglycopeptide antibiotic deacetylases: implications for the biosynthesis of a40926 and teicoplanin. Chem.Biol., 15, 2008
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3VM6
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![BU of 3vm6 by Molmil](/molmil-images/mine/3vm6) | Crystal structure of ribose-1,5-bisphosphate isomerase from Thermococcus kodakarensis KOD1 in complex with alpha-D-ribose-1,5-bisphosphate | Descriptor: | 1,5-di-O-phosphono-alpha-D-ribofuranose, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Nakamura, A, Fujihashi, M, Aono, R, Sato, T, Nishiba, Y, Yoshida, S, Yano, A, Atomi, H, Imanaka, T, Miki, K. | Deposit date: | 2011-12-08 | Release date: | 2012-04-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Dynamic, ligand-dependent conformational change triggers reaction of ribose-1,5-bisphosphate isomerase from Thermococcus kodakarensis KOD1 J.Biol.Chem., 287, 2012
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2ZBD
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![BU of 2zbd by Molmil](/molmil-images/mine/2zbd) | Crystal Structure of the SR Calcium Pump with Bound Aluminium Fluoride, ADP and Calcium | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | Authors: | Toyoshima, C, Nomura, H, Tsuda, T, Ogawa, H, Norimatsu, Y. | Deposit date: | 2007-10-20 | Release date: | 2007-11-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Lumenal gating mechanism revealed in calcium pump crystal structures with phosphate analogues Nature, 432, 2004
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4G79
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![BU of 4g79 by Molmil](/molmil-images/mine/4g79) | Structure a C. elegans SAS-6 variant | Descriptor: | GLYCEROL, Spindle assembly abnormal protein 6, TETRAETHYLENE GLYCOL | Authors: | Erat, M.C, Vakonakis, I. | Deposit date: | 2012-07-20 | Release date: | 2013-06-19 | Last modified: | 2017-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Caenorhabditis elegans centriolar protein SAS-6 forms a spiral that is consistent with imparting a ninefold symmetry. Proc.Natl.Acad.Sci.USA, 110, 2013
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5OY0
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![BU of 5oy0 by Molmil](/molmil-images/mine/5oy0) | Structure of synechocystis photosystem I trimer at 2.5A resolution | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (3'R)-3'-hydroxy-beta,beta-caroten-4-one, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | Authors: | Nelson, N, Malavath, T, Caspy, I. | Deposit date: | 2017-09-07 | Release date: | 2018-02-21 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structure and function of wild-type and subunit-depleted photosystem I in Synechocystis. Biochim. Biophys. Acta, 1859, 2018
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3VDI
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![BU of 3vdi by Molmil](/molmil-images/mine/3vdi) | Structure of the FMO protein from Pelodictyon phaeum | Descriptor: | BACTERIOCHLOROPHYLL A, TETRAETHYLENE GLYCOL, bacteriochlorophyll A protein | Authors: | Tronrud, D.E, Larson, C.R, Seng, C.O, Lauman, L, Matthies, H.J, Wen, J, Blankenship, R.E, Allen, J.P. | Deposit date: | 2012-01-05 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Reinterpretation of the electron density at the site of the eighth bacteriochlorophyll in the FMO protein from Pelodictyon phaeum. Photosynth.Res., 112, 2012
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4G1T
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![BU of 4g1t by Molmil](/molmil-images/mine/4g1t) | Crystal structure of interferon-stimulated gene 54 | Descriptor: | Interferon-induced protein with tetratricopeptide repeats 2 | Authors: | Yang, Z, Liang, H, Zhou, Q, Li, Y, Chen, H, Ye, W, Chen, D, Fleming, J, Shu, H, Liu, Y. | Deposit date: | 2012-07-11 | Release date: | 2012-08-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of ISG54 reveals a novel RNA binding structure and potential functional mechanisms. Cell Res., 22, 2012
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3EJK
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![BU of 3ejk by Molmil](/molmil-images/mine/3ejk) | |