6JOF
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![BU of 6jof by Molmil](/molmil-images/mine/6jof) | Crystal structure of TrmD from Mycobacterium tuberculosis in complex with active-site inhibitor | Descriptor: | tRNA (guanine-N(1)-)-methyltransferase, ~{N}-[[4-[(4-azanylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxidanylidene-3~{H}-thieno[2,3-d]pyrimidine-5-carboxamide | Authors: | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | Deposit date: | 2019-03-20 | Release date: | 2019-09-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019
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1ZWT
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![BU of 1zwt by Molmil](/molmil-images/mine/1zwt) | Structure of the globular head domain of the bundlin, BfpA, of the bundle-forming pilus of Enteropathogenic E.coli | Descriptor: | Major structural subunit of bundle-forming pilus | Authors: | Ramboarina, S, Fernandes, P.J, Daniell, S, Islam, S, Frankel, G, Booy, F, Donnenberg, M.S, Matthews, S. | Deposit date: | 2005-06-06 | Release date: | 2005-10-04 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Structure of the Bundle-forming Pilus from Enteropathogenic Escherichia coli J.Biol.Chem., 280, 2005
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2HG6
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![BU of 2hg6 by Molmil](/molmil-images/mine/2hg6) | Solution NMR Structure of Protein PA1123 from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium Target PaT4; Ontario Centre for Structural Proteomics Target PA1123. | Descriptor: | Hypothetical protein | Authors: | Lemak, A, Srisailam, S, Yee, A, Lukin, J.A, Orekhov, V.Y, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-06-26 | Release date: | 2006-07-25 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structure of a hypothetical protein from Pseudomonas aeruginosa (Northeast Structural Genomics Consortium Target: PaT4; Ontario Centre for Structural Proteomics Target: PA1123) To be Published
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6TOV
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![BU of 6tov by Molmil](/molmil-images/mine/6tov) | Crystal Structure of Teicoplanin Aglycone | Descriptor: | DIMETHYL SULFOXIDE, Teicoplanin Aglycone | Authors: | Belviso, B.D, Carrozzini, B, Caliandro, R, Altomare, C.D, Bolognino, I, Cellamare, S. | Deposit date: | 2019-12-12 | Release date: | 2020-01-15 | Last modified: | 2022-01-19 | Method: | X-RAY DIFFRACTION (0.767 Å) | Cite: | Enantiomeric Separation and Molecular Modelling of Bioactive 4-Aryl-3,4-dihydropyrimidin-2(1H)-one Ester Derivatives on Teicoplanin-Based Chiral Stationary Phase Separations, 2022
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8PTC
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![BU of 8ptc by Molmil](/molmil-images/mine/8ptc) | COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5d | Descriptor: | 1,2-ETHANEDIOL, 4-[(3~{R},4~{S})-2-oxidanylidene-3,4-diphenyl-azetidin-1-yl]piperidine-1-carbaldehyde, Monoglyceride lipase | Authors: | Butini, S, Benz, J, Grether, U, Leibrock, L, Papa, A, Maramai, S, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G. | Deposit date: | 2023-07-14 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization. J.Med.Chem., 67, 2024
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8PTR
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![BU of 8ptr by Molmil](/molmil-images/mine/8ptr) | COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5r | Descriptor: | (3~{R},4~{S})-4-(1,3-benzodioxol-5-yl)-1-[1-(benzotriazol-1-ylcarbonyl)piperidin-4-yl]-3-(3-fluorophenyl)azetidin-2-one, 1,2-ETHANEDIOL, Monoglyceride lipase | Authors: | Butini, S, Benz, J, Grether, U, Leibrock, L, Papa, A, Maramai, S, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G. | Deposit date: | 2023-07-14 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization. J.Med.Chem., 67, 2024
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1L3W
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![BU of 1l3w by Molmil](/molmil-images/mine/1l3w) | C-cadherin Ectodomain | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Boggon, T.J, Murray, J, Chappuis-Flament, S, Wong, E, Gumbiner, B.M, Shapiro, L. | Deposit date: | 2002-03-01 | Release date: | 2002-04-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | C-cadherin ectodomain structure and implications for cell adhesion mechanisms Science, 296, 2002
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8PTQ
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![BU of 8ptq by Molmil](/molmil-images/mine/8ptq) | COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5l | Descriptor: | 1,2-ETHANEDIOL, Monoglyceride lipase, methyl 4-[(2~{S},3~{R})-3-(4-fluorophenyl)-1-(1-methanoylpiperidin-4-yl)-4-oxidanylidene-azetidin-2-yl]benzoate | Authors: | Butini, S, Grether, U, Benz, J, Leibrock, L, Maramai, S, Papa, A, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G. | Deposit date: | 2023-07-14 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization. J.Med.Chem., 67, 2024
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1FMM
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![BU of 1fmm by Molmil](/molmil-images/mine/1fmm) | SOLUTION STRUCTURE OF NFGF-1 | Descriptor: | ACIDIC FIBROBLAST GROWTH FACTOR | Authors: | Arunkumar, A.I, Srisailam, S, Kumar, T.K.S, Chiu, I.M, Yu, C. | Deposit date: | 2000-08-18 | Release date: | 2001-08-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure and stability of an acidic fibroblast growth factor from Notophthalmus viridescens. J.Biol.Chem., 277, 2002
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6AT9
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![BU of 6at9 by Molmil](/molmil-images/mine/6at9) | Crystal structure of an anaplastic lymphoma kinase-derived neuroblastoma tumor antigen bound to the Human Major Histocompatibility Complex Class I molecule HLA-A*0101 | Descriptor: | ALK, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Toor, J, Rao, A.A, Salama, S, Tripathi, S, Haussler, D, Sgourakis, N.G. | Deposit date: | 2017-08-28 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9503 Å) | Cite: | A Recurrent Mutation in Anaplastic Lymphoma Kinase with Distinct Neoepitope Conformations. Front Immunol, 9, 2018
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1YXR
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![BU of 1yxr by Molmil](/molmil-images/mine/1yxr) | NMR Structure of VPS4A MIT Domain | Descriptor: | vacuolar protein sorting factor 4A | Authors: | Scott, J.A, Gaspar, J, Stuchell, M, Alam, S, Skalicky, J, Sundquist, W.I. | Deposit date: | 2005-02-22 | Release date: | 2005-09-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR Structure of VPS4A MIT Domain To be Published
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5ZHI
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![BU of 5zhi by Molmil](/molmil-images/mine/5zhi) | Apo crystal structure of TrmD from Mycobacterium tuberculosis | Descriptor: | tRNA (guanine-N(1)-)-methyltransferase | Authors: | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | Deposit date: | 2018-03-13 | Release date: | 2019-03-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019
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5ZHM
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![BU of 5zhm by Molmil](/molmil-images/mine/5zhm) | Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor | Descriptor: | N-({4-[(diethylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | Deposit date: | 2018-03-13 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019
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5ZHK
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![BU of 5zhk by Molmil](/molmil-images/mine/5zhk) | Crystal structure of TrmD from Mycobacterium tuberculosis in complex with active-site inhibitor | Descriptor: | N-[(4-{[cyclohexyl(ethyl)amino]methyl}phenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | Deposit date: | 2018-03-13 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019
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5ZHN
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![BU of 5zhn by Molmil](/molmil-images/mine/5zhn) | Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor | Descriptor: | N-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | Deposit date: | 2018-03-13 | Release date: | 2019-03-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019
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5ZHL
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![BU of 5zhl by Molmil](/molmil-images/mine/5zhl) | Crystal structure of TrmD from Mycobacterium tuberculosis in complex with active-site inhibitor | Descriptor: | N-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | Deposit date: | 2018-03-13 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019
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5ZHJ
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![BU of 5zhj by Molmil](/molmil-images/mine/5zhj) | Crystal structure of TrmD from Mycobacterium tuberculosis in complex with S-adenosyl homocysteine (SAH) | Descriptor: | GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | Deposit date: | 2018-03-13 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem., 62, 2019
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1N82
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![BU of 1n82 by Molmil](/molmil-images/mine/1n82) | The high-resolution crystal structure of IXT6, a thermophilic, intracellular xylanase from G. stearothermophilus | Descriptor: | GLYCEROL, SODIUM ION, intra-cellular xylanase | Authors: | Solomon, V, Teplitsky, A, Golan, G, Gilboa, R, Reiland, V, Shulami, S, Moryles, S, Zolotnitsky, G, Shoham, Y, Shoham, G. | Deposit date: | 2002-11-19 | Release date: | 2003-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The high-resolution crystal structure of IXT6,
a thermophilic, intracellular xylanase from G. stearothermophilus To be Published
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1K9D
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![BU of 1k9d by Molmil](/molmil-images/mine/1k9d) | The 1.7 A crystal structure of alpha-D-glucuronidase, a family-67 glycoside hydrolase from Bacillus stearothermophilus T-1 | Descriptor: | GLYCEROL, alpha-D-glucuronidase | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | Deposit date: | 2001-10-29 | Release date: | 2002-10-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structures of Geobacillus stearothermophilus {alpha}-Glucuronidase Complexed with Its Substrate and Products: MECHANISTIC IMPLICATIONS. J.Biol.Chem., 279, 2004
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1L8N
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![BU of 1l8n by Molmil](/molmil-images/mine/1l8n) | The 1.5A crystal structure of alpha-D-glucuronidase from Bacillus stearothermophilus T-1, complexed with 4-O-methyl-glucuronic acid and xylotriose | Descriptor: | 4-O-methyl-beta-D-glucopyranuronic acid, ALPHA-D-GLUCURONIDASE, GLYCEROL, ... | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | Deposit date: | 2002-03-21 | Release date: | 2003-03-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structures of Geobacillus stearothermophilus {alpha}-Glucuronidase Complexed with Its Substrate and Products: MECHANISTIC IMPLICATIONS. J.Biol.Chem., 279, 2004
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1KQE
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![BU of 1kqe by Molmil](/molmil-images/mine/1kqe) | Solution structure of a linked shortened gramicidin A in benzene/acetone 10:1 | Descriptor: | MINI-GRAMICIDIN A | Authors: | Arndt, H.D, Bockelmann, D, Knoll, A, Lamberth, S, Griesinger, C, Koert, U. | Deposit date: | 2002-01-05 | Release date: | 2002-11-27 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Cation Control in Functional Helical Programming: Structures of a D,L-Peptide Ion Channel Angew.Chem.Int.Ed.Engl., 41, 2002
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1MQR
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![BU of 1mqr by Molmil](/molmil-images/mine/1mqr) | THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE (E386Q) FROM BACILLUS STEAROTHERMOPHILUS T-6 | Descriptor: | ALPHA-D-GLUCURONIDASE, GLYCEROL | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | Deposit date: | 2002-09-17 | Release date: | 2003-09-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Geobacillus stearothermophilus {alpha}-Glucuronidase Complexed with Its Substrate and Products: MECHANISTIC IMPLICATIONS. J.Biol.Chem., 279, 2004
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1MQQ
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![BU of 1mqq by Molmil](/molmil-images/mine/1mqq) | THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE FROM BACILLUS STEAROTHERMOPHILUS T-1 COMPLEXED WITH GLUCURONIC ACID | Descriptor: | ALPHA-D-GLUCURONIDASE, GLYCEROL, alpha-D-glucopyranuronic acid | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | Deposit date: | 2002-09-17 | Release date: | 2003-09-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of Geobacillus stearothermophilus alpha-glucuronidase complexed with its substrate and products: mechanistic implications. J.Biol.Chem., 279, 2004
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1MQP
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![BU of 1mqp by Molmil](/molmil-images/mine/1mqp) | THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE FROM BACILLUS STEAROTHERMOPHILUS T-6 | Descriptor: | GLYCEROL, alpha-D-glucuronidase | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | Deposit date: | 2002-09-17 | Release date: | 2003-09-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of Geobacillus stearothermophilus alpha-glucuronidase complexed with its substrate and products: mechanistic implications. J.Biol.Chem., 279, 2004
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1K8L
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![BU of 1k8l by Molmil](/molmil-images/mine/1k8l) | XBY6: An analog of CK14 containing 6 dithiophosphate groups | Descriptor: | FIRST STRAND OF CK14 DNA DUPLEX, SECOND STRAND OF CK14 DNA DUPLEX | Authors: | Volk, D.E, Yang, X, Fennewald, S.M, King, D.J, Bassett, S.E, Venkitachalam, S, Herzog, N, Luxon, B.A, Gorenstein, D.G. | Deposit date: | 2001-10-24 | Release date: | 2003-04-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and design of dithiophosphate backbone aptamers targeting transcription factor NF-kappaB Bioorg.Chem., 30, 2002
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