5VEN
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![BU of 5ven by Molmil](/molmil-images/mine/5ven) | Murine ectonucleotide pyrophosphatase / phosphodiesterase 5 (ENPP5, NPP5) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ectonucleotide pyrophosphatase/phosphodiesterase family member 5, ... | Authors: | Gorelik, A, Randriamihaja, A, Illes, K, Nagar, B. | Deposit date: | 2017-04-05 | Release date: | 2017-09-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A key tyrosine substitution restricts nucleotide hydrolysis by the ectoenzyme NPP5. FEBS J., 284, 2017
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3TGW
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![BU of 3tgw by Molmil](/molmil-images/mine/3tgw) | Crystal structure of subunit B mutant H156A of the A1AO ATP synthase | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, ... | Authors: | Tadwal, V.S, Manimekalai, M.S.S, Jeyakanthan, J, Gruber, G. | Deposit date: | 2011-08-18 | Release date: | 2012-09-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of subunit A mutants H156A, N157A and N157T of the A1AO ATP synthase To be Published
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2GMH
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![BU of 2gmh by Molmil](/molmil-images/mine/2gmh) | Structure of Porcine Electron Transfer Flavoprotein-Ubiquinone Oxidoreductase in Complexed with Ubiquinone | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE, Electron transfer flavoprotein-ubiquinone oxidoreductase, ... | Authors: | Zhang, J, Frerman, F.E, Kim, J.-J.P. | Deposit date: | 2006-04-06 | Release date: | 2006-10-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of electron transfer flavoprotein-ubiquinone oxidoreductase and electron transfer to the mitochondrial ubiquinone pool. Proc.Natl.Acad.Sci.Usa, 103, 2006
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3TCS
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![BU of 3tcs by Molmil](/molmil-images/mine/3tcs) | Crystal structure of a putative racemase from Roseobacter denitrificans | Descriptor: | CHLORIDE ION, D-ALANINE, GLYCEROL, ... | Authors: | Eswaramoorthy, S, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-08-09 | Release date: | 2011-08-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structure of a putative racemase from Roseobacter denitrificans To be Published
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4LHR
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![BU of 4lhr by Molmil](/molmil-images/mine/4lhr) | |
5UKV
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![BU of 5ukv by Molmil](/molmil-images/mine/5ukv) | DHp domain of PhoR of M. tuberculosis - SeMet | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ATP-binding protein, ... | Authors: | Wang, S. | Deposit date: | 2017-01-23 | Release date: | 2017-12-06 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Asymmetric Structure of the Dimerization Domain of PhoR, a Sensor Kinase Important for the Virulence of Mycobacterium tuberculosis. ACS Omega, 2, 2017
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5ULG
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![BU of 5ulg by Molmil](/molmil-images/mine/5ulg) | |
4KYP
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![BU of 4kyp by Molmil](/molmil-images/mine/4kyp) | Beta-Scorpion Toxin folded in the periplasm of E.coli | Descriptor: | Beta-insect excitatory toxin Bj-xtrIT, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL | Authors: | O'Reilly, A.O, Cole, A.R, Lopes, J.L, Lampert, A, Wallace, B.A. | Deposit date: | 2013-05-29 | Release date: | 2014-02-12 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Chaperone-mediated native folding of a beta-scorpion toxin in the periplasm of Escherichia coli. Biochim.Biophys.Acta, 1840, 2014
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5UTI
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![BU of 5uti by Molmil](/molmil-images/mine/5uti) | Crystal Structure of TGT in complex with fragment in preQ1 pocket | Descriptor: | DIMETHYL SULFOXIDE, L-CANAVANINE, Queuine tRNA-ribosyltransferase, ... | Authors: | Hassaan, E, Heine, A, Klebe, G. | Deposit date: | 2017-02-15 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies. Chemmedchem, 15, 2020
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5V2C
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![BU of 5v2c by Molmil](/molmil-images/mine/5v2c) | RE-REFINEMENT OF CRYSTAL STRUCTURE OF PHOTOSYSTEM II COMPLEX | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Wang, J, Wiwczar, J.M, Brudvig, G.W. | Deposit date: | 2017-03-03 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Chlorophyll a with a farnesyl tail in thermophilic cyanobacteria. Photosyn. Res., 134, 2017
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4OPY
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![BU of 4opy by Molmil](/molmil-images/mine/4opy) | Room temperature crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S mutation | Descriptor: | CALCIUM ION, Extended spectrum beta-lactamase TEM-63, SULFATE ION, ... | Authors: | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | Deposit date: | 2014-02-07 | Release date: | 2015-05-20 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder. J. Mol. Biol., 427, 2015
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3RLK
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![BU of 3rlk by Molmil](/molmil-images/mine/3rlk) | |
4ETG
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![BU of 4etg by Molmil](/molmil-images/mine/4etg) | Crystal Structure of MIF L46G mutant | Descriptor: | Macrophage migration inhibitory factor, SULFATE ION | Authors: | Ashrafi, A, Pojer, F, Lashuel, H. | Deposit date: | 2012-04-24 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Characterization of molecular determinants of the conformational stability of macrophage migration inhibitory factor: leucine 46 hydrophobic pocket. Plos One, 7, 2012
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4EVG
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![BU of 4evg by Molmil](/molmil-images/mine/4evg) | Crystal Structure of MIF L46A mutant | Descriptor: | Macrophage migration inhibitory factor, SULFATE ION | Authors: | Ashrafi, A, Pojer, F, Lashuel, H. | Deposit date: | 2012-04-26 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Characterization of molecular determinants of the conformational stability of macrophage migration inhibitory factor: leucine 46 hydrophobic pocket. Plos One, 7, 2012
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2GTB
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![BU of 2gtb by Molmil](/molmil-images/mine/2gtb) | Crystal structure of SARS coronavirus main peptidase (with an additional Ala at the N-terminus of each protomer) inhibited by an aza-peptide epoxide in the space group P43212 | Descriptor: | (5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE, 3C-like proteinase, ACETIC ACID | Authors: | Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C. | Deposit date: | 2006-04-27 | Release date: | 2006-12-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures Reveal an Induced-fit Binding of a Substrate-like Aza-peptide Epoxide to SARS Coronavirus Main Peptidase. J.Mol.Biol., 366, 2007
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4NHQ
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![BU of 4nhq by Molmil](/molmil-images/mine/4nhq) | X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (5 days) | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A. | Deposit date: | 2013-11-05 | Release date: | 2014-09-17 | Last modified: | 2015-06-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release. Inorg.Chem., 53, 2014
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4NQ5
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![BU of 4nq5 by Molmil](/molmil-images/mine/4nq5) | Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 complexed with compound CS319 | Descriptor: | (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase 2, POTASSIUM ION, ... | Authors: | Gonzalez, J.M, Gonzalez, M.M, Vila, A.J. | Deposit date: | 2013-11-23 | Release date: | 2014-11-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Inhibition of metallo-lactamases with bicyclic compounds TO BE PUBLISHED
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5VPY
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![BU of 5vpy by Molmil](/molmil-images/mine/5vpy) | Crystal structure of human KRAS G12A mutant in complex with GppNHp | Descriptor: | 2-amino-9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-L-xylofuranosyl}-1,9-dihydro-6H-purin-6-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | Deposit date: | 2017-05-06 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
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5VR4
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![BU of 5vr4 by Molmil](/molmil-images/mine/5vr4) | RNA octamer containing 2'-F-4'-OMe U. | Descriptor: | COBALT TETRAAMMINE ION, RNA (5'-R(*CP*GP*AP*AP*(UMO)P*UP*CP*G)-3') | Authors: | Harp, J.M, Egli, M. | Deposit date: | 2017-05-10 | Release date: | 2017-10-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 4'-C-Methoxy-2'-deoxy-2'-fluoro Modified Ribonucleotides Improve Metabolic Stability and Elicit Efficient RNAi-Mediated Gene Silencing. J. Am. Chem. Soc., 139, 2017
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5VDV
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![BU of 5vdv by Molmil](/molmil-images/mine/5vdv) | |
5VXO
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![BU of 5vxo by Molmil](/molmil-images/mine/5vxo) | |
5VMK
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![BU of 5vmk by Molmil](/molmil-images/mine/5vmk) | |
4DWH
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![BU of 4dwh by Molmil](/molmil-images/mine/4dwh) | Structure of the major type 1 pilus subunit FIMA bound to the FIMC (2.5 A resolution) | Descriptor: | Chaperone protein fimC, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | Authors: | Scharer, M.A, Puorger, C, Crespo, M, Glockshuber, R, Capitani, G. | Deposit date: | 2012-02-24 | Release date: | 2012-05-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Quality control of disulfide bond formation in pilus subunits by the chaperone FimC. Nat.Chem.Biol., 8, 2012
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4MSL
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![BU of 4msl by Molmil](/molmil-images/mine/4msl) | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF40431 | Descriptor: | N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine, Sortilin, TETRAETHYLENE GLYCOL, ... | Authors: | Andersen, J.L, Strandbygaard, D, Thirup, S. | Deposit date: | 2013-09-18 | Release date: | 2014-02-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor-ligand complex. Acta Crystallogr.,Sect.D, 70, 2014
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4N9R
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![BU of 4n9r by Molmil](/molmil-images/mine/4n9r) | X-ray structure of the complex between hen egg white lysozyme and pentacholrocarbonyliridate(III) (1 day) | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A. | Deposit date: | 2013-10-21 | Release date: | 2015-12-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release. Inorg.Chem., 53, 2014
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