7LJT
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![BU of 7ljt by Molmil](/molmil-images/mine/7ljt) | Porcine Dihydropyrimidine Dehydrogenase (DPD) soaked with 5-Ethynyluracil (5EU), NADPH - 20 minutes | Descriptor: | 5-ethynylpyrimidine-2,4(1H,3H)-dione, Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN MONONUCLEOTIDE, ... | Authors: | Butrin, A, Forouzesh, D, Beaupre, B, Wawrzak, Z, Liu, D, Moran, G. | Deposit date: | 2021-01-30 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The Interaction of Porcine Dihydropyrimidine Dehydrogenase with the Chemotherapy Sensitizer: 5-Ethynyluracil. Biochemistry, 60, 2021
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2VBG
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![BU of 2vbg by Molmil](/molmil-images/mine/2vbg) | The complex structure of the branched-chain keto acid decarboxylase (KdcA) from Lactococcus lactis with 2R-1-hydroxyethyl-deazaThDP | Descriptor: | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE, BRANCHED-CHAIN ALPHA-KETOACID DECARBOXYLASE, MAGNESIUM ION | Authors: | Berthold, C.L, Gocke, D, Wood, M.D, Leeper, F, Pohl, M, Schneider, G. | Deposit date: | 2007-09-12 | Release date: | 2007-11-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the Branched-Chain Keto Acid Decarboxylase (Kdca) from Lactococcus Lactis Provides Insights Into the Structural Basis for the Chemo- and Enantioselective Carboligation Reaction Acta Crystallogr.,Sect.D, 63, 2007
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7LJU
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![BU of 7lju by Molmil](/molmil-images/mine/7lju) | Porcine Dihydropyrimidine Dehydrogenase (DPD) crosslinked with 5-Ethynyluracil (5EU) | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 5-ethynylpyrimidine-2,4(1H,3H)-dione, Dihydropyrimidine dehydrogenase [NADP(+)], ... | Authors: | Butrin, A, Forouzesh, D, Beaupre, B, Wawrzak, Z, Liu, D, Moran, G. | Deposit date: | 2021-01-30 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | The Interaction of Porcine Dihydropyrimidine Dehydrogenase with the Chemotherapy Sensitizer: 5-Ethynyluracil. Biochemistry, 60, 2021
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1O2R
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![BU of 1o2r by Molmil](/molmil-images/mine/1o2r) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | Deposit date: | 2003-03-06 | Release date: | 2003-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
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2UZ4
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![BU of 2uz4 by Molmil](/molmil-images/mine/2uz4) | |
5M0J
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![BU of 5m0j by Molmil](/molmil-images/mine/5m0j) | Crystal structure of the cytoplasmic complex with She2p, She3p, and the ASH1 mRNA E3-localization element | Descriptor: | ASH1 E3 (28 nt-loop), MAGNESIUM ION, SWI5-dependent HO expression protein 2,SWI5-dependent HO expression protein 3 | Authors: | Edelmann, F.T, Janowski, R, Niessing, D. | Deposit date: | 2016-10-05 | Release date: | 2017-01-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular architecture and dynamics of ASH1 mRNA recognition by its mRNA-transport complex. Nat. Struct. Mol. Biol., 24, 2017
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7LJS
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![BU of 7ljs by Molmil](/molmil-images/mine/7ljs) | Porcine Dihydropyrimidine dehydrogenase (DPD) complexed with 5-Ethynyluracil (5EU) - Open Form | Descriptor: | 5-ethynylpyrimidine-2,4(1H,3H)-dione, Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN MONONUCLEOTIDE, ... | Authors: | Butrin, A, Forouzesh, D, Beaupre, B, Wawrzak, Z, Liu, D, Moran, G. | Deposit date: | 2021-01-30 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Interaction of Porcine Dihydropyrimidine Dehydrogenase with the Chemotherapy Sensitizer: 5-Ethynyluracil. Biochemistry, 60, 2021
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1O2Z
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![BU of 1o2z by Molmil](/molmil-images/mine/1o2z) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-METHOXY-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE, BETA-TRYPSIN, CALCIUM ION | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | Deposit date: | 2003-03-06 | Release date: | 2003-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
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2UZ9
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![BU of 2uz9 by Molmil](/molmil-images/mine/2uz9) | Human guanine deaminase (guaD) in complex with zinc and its product Xanthine. | Descriptor: | GUANINE DEAMINASE, XANTHINE, ZINC ION | Authors: | Moche, M, Welin, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van den berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2007-04-26 | Release date: | 2007-05-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Human Guanine Deaminase (Guad) in Complex with Zinc and its Product Xhantine To be Published
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5M11
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![BU of 5m11 by Molmil](/molmil-images/mine/5m11) | Structural and functional probing of PorZ, an essential bacterial surface component of the type-IX secretion system of human oral-microbiomic Porphyromonas gingivalis. | Descriptor: | CACODYLATE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Lasica, A.M, Goulas, T, Mizgalska, D, Zhou, X, Ksiazek, M, Madej, M, Guo, Y, Guevara, T, Nowak, M, Potempa, B, Goel, A, Sztukowska, M, Prabhakar, A.T, Bzowska, M, Widziolek, M, Thogersen, I.B, Enghild, J.J, Simonian, M, Kulczyk, A.W, Nguyen, K.-A, Potempa, J, Gomis-Ruth, F.X. | Deposit date: | 2016-10-07 | Release date: | 2016-11-09 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and functional probing of PorZ, an essential bacterial surface component of the type-IX secretion system of human oral-microbiomic Porphyromonas gingivalis. Sci Rep, 6, 2016
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1O35
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![BU of 1o35 by Molmil](/molmil-images/mine/1o35) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-FLUOROBENZENOLATE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | Deposit date: | 2003-03-06 | Release date: | 2003-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
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1O3C
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![BU of 1o3c by Molmil](/molmil-images/mine/1o3c) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | Deposit date: | 2003-03-06 | Release date: | 2003-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
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2UWL
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![BU of 2uwl by Molmil](/molmil-images/mine/2uwl) | Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa | Descriptor: | 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE, COAGULATION FACTOR X | Authors: | Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P. | Deposit date: | 2007-03-22 | Release date: | 2007-04-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa. Bioorg.Med.Chem.Lett., 17, 2007
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5M1C
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![BU of 5m1c by Molmil](/molmil-images/mine/5m1c) | Crystal structure of N-terminally tagged apo-UbiD from E. coli | Descriptor: | 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, TETRAETHYLENE GLYCOL | Authors: | Marshall, S.A, Leys, D. | Deposit date: | 2016-10-07 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis. J. Biol. Chem., 292, 2017
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1O3K
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![BU of 1o3k by Molmil](/molmil-images/mine/1o3k) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | Deposit date: | 2003-03-06 | Release date: | 2003-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
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2V1M
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![BU of 2v1m by Molmil](/molmil-images/mine/2v1m) | Crystal structure of Schistosoma mansoni glutathione peroxidase | Descriptor: | ACETATE ION, GLUTATHIONE PEROXIDASE, LITHIUM ION, ... | Authors: | Dimastrogiovanni, D, Miele, A.E, Angelucci, F, Boumis, G, Bellelli, A, Brunori, M. | Deposit date: | 2008-09-16 | Release date: | 2009-09-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Combining Crystallography and Molecular Dynamics: The Case of Schistosoma Mansoni Phospholipid Glutathione Peroxidase. Proteins, 78, 2010
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1R9I
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![BU of 1r9i by Molmil](/molmil-images/mine/1r9i) | NMR Solution Structure of PIIIA toxin, NMR, 20 structures | Descriptor: | Mu-conotoxin PIIIA | Authors: | Nielsen, K.J, Watson, M, Adams, D.J, Hammarstrom, A.K, Gage, P.W, Hill, J.M, Craik, D.J, Thomas, L, Adams, D, Alewood, P.F, Lewis, R.J. | Deposit date: | 2003-10-30 | Release date: | 2003-11-18 | Last modified: | 2019-12-25 | Method: | SOLUTION NMR | Cite: | Solution structure of mu-conotoxin PIIIA, a preferential inhibitor of persistent tetrodotoxin-sensitive sodium channels J.Biol.Chem., 277, 2002
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2VHY
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![BU of 2vhy by Molmil](/molmil-images/mine/2vhy) | |
1OAQ
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![BU of 1oaq by Molmil](/molmil-images/mine/1oaq) | |
2V5M
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![BU of 2v5m by Molmil](/molmil-images/mine/2v5m) | Structural basis for Dscam isoform specificity | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DSCAM, GLYCEROL | Authors: | Meijers, R, Puettmann-Holgado, R, Skiniotis, G, Liu, J.-H, Walz, T, Schmucker, D, Wang, J.-H. | Deposit date: | 2007-07-06 | Release date: | 2007-09-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Basis of Dscam Isoform Specificity Nature, 449, 2007
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5NUF
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![BU of 5nuf by Molmil](/molmil-images/mine/5nuf) | Cytosolic Malate Dehydrogenase 1 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Young, D, Messens, J, Huang, J, Reichheld, J.-P. | Deposit date: | 2017-04-29 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Self-protection of cytosolic malate dehydrogenase against oxidative stress in Arabidopsis. J. Exp. Bot., 69, 2018
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2V97
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![BU of 2v97 by Molmil](/molmil-images/mine/2v97) | Structure of the unphotolysed complex of TcAChE with 1-(2- nitrophenyl)-2,2,2-trifluoroethyl-arsenocholine after a 9 seconds annealing to room temperature | Descriptor: | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Colletier, J.-P, Sanson, B, Royant, A, Specht, A, Nachon, F, Masson, P, Zaccai, G, Sussman, J.L, Goeldner, M, Silman, I, Bourgeois, D, Weik, M. | Deposit date: | 2007-08-22 | Release date: | 2007-11-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Use of a 'Caged' Analog to Study Traffic of Choline within Acetylcholinesterase by Kinetic Crystallography Acta Crystallogr.,Sect.D, 63, 2007
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1O7K
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![BU of 1o7k by Molmil](/molmil-images/mine/1o7k) | human p47 PX domain complex with sulphates | Descriptor: | NEUTROPHIL CYTOSOL FACTOR 1, SULFATE ION | Authors: | Karathanassis, D, Bravo, J, Perisic, O, Pacold, C.M, Williams, R.L. | Deposit date: | 2002-11-07 | Release date: | 2002-11-20 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding of the Px Domain of P47Phox to Phosphatidylinositol 3.4-Bisphosphate and Phosphatidic Acid is Masked by an Intramolecular Interaction Embo J., 21, 2002
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1ROS
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![BU of 1ros by Molmil](/molmil-images/mine/1ros) | Crystal structure of MMP-12 complexed to 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl-4-(4-ethoxy[1,1-biphenyl]-4-yl)-4-oxobutanoic acid | Descriptor: | 2-[2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ETHYL]-4-(4'-ETHOXY-1,1'-BIPHENYL-4-YL)-4-OXOBUTANOIC ACID, CALCIUM ION, Macrophage metalloelastase, ... | Authors: | Morales, R, Perrier, S, Florent, J.M, Beltra, J, Dufour, S, De Mendez, I, Manceau, P, Tertre, A, Moreau, F, Compere, D, Dublanchet, A.C, O'Gara, M. | Deposit date: | 2003-12-02 | Release date: | 2004-12-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of novel non-peptidic, non-zinc chelating inhibitors bound to MMP-12. J.Mol.Biol., 341, 2004
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2VC7
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![BU of 2vc7 by Molmil](/molmil-images/mine/2vc7) | Structural basis for natural lactonase and promiscuous phosphotriesterase activities | Descriptor: | (4S)-4-(decanoylamino)-5-hydroxy-3,4-dihydro-2H-thiophenium, 1,2-ETHANEDIOL, ARYLDIALKYLPHOSPHATASE, ... | Authors: | Elias, M, Dupuy, J, Merone, L, Mandrich, L, Moniot, S, Rochu, D, Lecomte, C, Rossi, M, Masson, P, Manco, G, Chabriere, E. | Deposit date: | 2007-09-19 | Release date: | 2008-04-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Basis for Natural Lactonase and Promiscuous Phosphotriesterase Activities. J.Mol.Biol., 379, 2008
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