4EUG
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![BU of 4eug by Molmil](/molmil-images/mine/4eug) | Crystallographic and Enzymatic Studies of an Active Site Variant H187Q of Escherichia Coli Uracil DNA Glycosylase: Crystal Structures of Mutant H187Q and its Uracil Complex | Descriptor: | PROTEIN (GLYCOSYLASE) | Authors: | Xiao, G, Tordova, M, Drohat, A.C, Jagadeesh, J, Stivers, J.T, Gilliland, G.L. | Deposit date: | 1998-12-27 | Release date: | 1999-07-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Heteronuclear NMR and crystallographic studies of wild-type and H187Q Escherichia coli uracil DNA glycosylase: electrophilic catalysis of uracil expulsion by a neutral histidine 187. Biochemistry, 38, 1999
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6T38
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![BU of 6t38 by Molmil](/molmil-images/mine/6t38) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BROMIDE ION, CHLORIDE ION, ... | Authors: | Alphey, M.S, Xiao, G, Westwood, J.N. | Deposit date: | 2019-10-10 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design. Bioorg.Med.Chem., 50, 2021
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6T37
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![BU of 6t37 by Molmil](/molmil-images/mine/6t37) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ... | Authors: | Alphey, M.S, Xiao, G, Westwood, J.N. | Deposit date: | 2019-10-10 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.079 Å) | Cite: | Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design. Bioorg.Med.Chem., 50, 2021
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6TQG
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![BU of 6tqg by Molmil](/molmil-images/mine/6tqg) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ... | Authors: | Alphey, M.S, Xiao, G, Westwood, J.N. | Deposit date: | 2019-12-16 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design. Bioorg.Med.Chem., 50, 2021
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5EFV
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![BU of 5efv by Molmil](/molmil-images/mine/5efv) | The host-recognition device of Staphylococcus aureus phage Phi11 | Descriptor: | FE (III) ION, Phi ETA orf 56-like protein | Authors: | Koc, C, Kuhner, P, Xia, G, Spinelli, S, Roussel, A, Cambillau, C, Stehle, T. | Deposit date: | 2015-10-26 | Release date: | 2016-05-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the host-recognition device of Staphylococcus aureus phage 11. Sci Rep, 6, 2016
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4WAC
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![BU of 4wac by Molmil](/molmil-images/mine/4wac) | Crystal Structure of TarM | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Koc, C, Stehle, T, Xia, G, Peschel, A. | Deposit date: | 2014-08-29 | Release date: | 2015-02-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Enzymatic Analysis of TarM Glycosyltransferase from Staphylococcus aureus Reveals an Oligomeric Protein Specific for the Glycosylation of Wall Teichoic Acid. J.Biol.Chem., 290, 2015
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4WAD
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![BU of 4wad by Molmil](/molmil-images/mine/4wad) | Crystal Structure of TarM with UDP-GlcNAc | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Glycosyl transferase, ... | Authors: | Koc, C, Stehle, T, Xia, G, Peschel, A. | Deposit date: | 2014-08-29 | Release date: | 2015-02-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and Enzymatic Analysis of TarM Glycosyltransferase from Staphylococcus aureus Reveals an Oligomeric Protein Specific for the Glycosylation of Wall Teichoic Acid. J.Biol.Chem., 290, 2015
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1S2H
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![BU of 1s2h by Molmil](/molmil-images/mine/1s2h) | The Mad2 spindle checkpoint protein possesses two distinct natively folded states | Descriptor: | Mitotic spindle assembly checkpoint protein MAD2A | Authors: | Luo, X, Tang, Z, Xia, G, Wassmann, K, Matsumoto, T, Rizo, J, Yu, H. | Deposit date: | 2004-01-08 | Release date: | 2004-03-30 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The Mad2 spindle checkpoint protein has two distinct natively folded states. Nat.Struct.Mol.Biol., 11, 2004
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1NDD
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![BU of 1ndd by Molmil](/molmil-images/mine/1ndd) | STRUCTURE OF NEDD8 | Descriptor: | CHLORIDE ION, PROTEIN (UBIQUITIN-LIKE PROTEIN NEDD8), SULFATE ION | Authors: | Whitby, F.G, Xia, G, Pickart, C.M, Hill, C.P. | Deposit date: | 1998-08-21 | Release date: | 1999-02-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of the human ubiquitin-like protein NEDD8 and interactions with ubiquitin pathway enzymes. J.Biol.Chem., 273, 1998
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1TDJ
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![BU of 1tdj by Molmil](/molmil-images/mine/1tdj) | THREONINE DEAMINASE (BIOSYNTHETIC) FROM E. COLI | Descriptor: | BIOSYNTHETIC THREONINE DEAMINASE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Gallagher, D.T, Gilliland, G.L, Xiao, G, Eisenstein, E. | Deposit date: | 1998-03-27 | Release date: | 1998-10-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure and control of pyridoxal phosphate dependent allosteric threonine deaminase. Structure, 6, 1998
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5FWG
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![BU of 5fwg by Molmil](/molmil-images/mine/5fwg) | TETRA-(5-FLUOROTRYPTOPHANYL)-GLUTATHIONE TRANSFERASE | Descriptor: | (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, TETRA-(5-FLUOROTRYPTOPHANYL)-GLUTATHIONE TRANSFERASE MU CLASS | Authors: | Parsons, J.F, Xiao, G, Armstrong, R.N, Gilliland, G.L. | Deposit date: | 1997-11-08 | Release date: | 1999-01-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enzymes harboring unnatural amino acids: mechanistic and structural analysis of the enhanced catalytic activity of a glutathione transferase containing 5-fluorotryptophan. Biochemistry, 37, 1998
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1N2A
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![BU of 1n2a by Molmil](/molmil-images/mine/1n2a) | Crystal Structure of a Bacterial Glutathione Transferase from Escherichia coli with Glutathione Sulfonate in the Active Site | Descriptor: | GLUTATHIONE SULFONIC ACID, Glutathione S-transferase | Authors: | Rife, C.L, Parsons, J.F, Xiao, G, Gilliland, G.L, Armstrong, R.N. | Deposit date: | 2002-10-22 | Release date: | 2003-11-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conserved structural elements in glutathione transferase homologues encoded in the genome of Escherichia coli Proteins, 53, 2003
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1MTC
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![BU of 1mtc by Molmil](/molmil-images/mine/1mtc) | GLUTATHIONE TRANSFERASE MUTANT Y115F | Descriptor: | (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, Glutathione S-transferase YB1 | Authors: | Ladner, J.E, Xiao, G, Armstrong, R.N, Gilliland, G.L. | Deposit date: | 2002-09-20 | Release date: | 2003-03-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Local protein dynamics and catalysis: detection of segmental motion associated with rate-limiting product release by a glutathione transferase Biochemistry, 41, 2002
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4FDA
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1QSG
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![BU of 1qsg by Molmil](/molmil-images/mine/1qsg) | CRYSTAL STRUCTURE OF ENOYL REDUCTASE INHIBITION BY TRICLOSAN | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN, ... | Authors: | Stewart, M.J, Parikh, S, Xiao, G, Tonge, P.J, Kisker, C. | Deposit date: | 1999-06-21 | Release date: | 1999-07-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis and mechanism of enoyl reductase inhibition by triclosan. J.Mol.Biol., 290, 1999
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7A8X
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![BU of 7a8x by Molmil](/molmil-images/mine/7a8x) | Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikC with the HMA domain of Pikh-1 from rice (Oryza sativa) | Descriptor: | AVR-Pik protein, NBS-LRR class disease resistance protein | Authors: | Maidment, J.H.R, Xiao, G, Franceschetti, M, Banfield, M.J. | Deposit date: | 2020-08-31 | Release date: | 2021-02-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The allelic rice immune receptor Pikh confers extended resistance to strains of the blast fungus through a single polymorphism in the effector binding interface. Plos Pathog., 17, 2021
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1FLZ
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![BU of 1flz by Molmil](/molmil-images/mine/1flz) | URACIL DNA GLYCOSYLASE WITH UAAP | Descriptor: | URACIL, URACIL-DNA GLYCOSYLASE | Authors: | Werner, R.M, Jiang, Y.L, Gordley, R.G, Jagadeesh, G.J, Ladner, J.E, Xiao, G, Tordova, M, Gilliland, G.L, Stivers, J.T. | Deposit date: | 2000-08-15 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Stressing-out DNA? The contribution of serine-phosphodiester interactions in catalysis by uracil DNA glycosylase. Biochemistry, 39, 2000
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4QR4
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![BU of 4qr4 by Molmil](/molmil-images/mine/4qr4) | Brd4 Bromodomain 1 complex with its novel inhibitors | Descriptor: | 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4 | Authors: | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | Deposit date: | 2014-06-30 | Release date: | 2015-07-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization J.Med.Chem., 58, 2015
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2QYF
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4QR5
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![BU of 4qr5 by Molmil](/molmil-images/mine/4qr5) | Brd4 Bromodomain 1 complex with its novel inhibitors | Descriptor: | Bromodomain-containing protein 4, N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide | Authors: | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | Deposit date: | 2014-06-30 | Release date: | 2015-07-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization J.Med.Chem., 58, 2015
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4QR3
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![BU of 4qr3 by Molmil](/molmil-images/mine/4qr3) | Brd4 Bromodomain 1 complex with its novel inhibitors | Descriptor: | Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide | Authors: | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | Deposit date: | 2014-06-30 | Release date: | 2015-07-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.374 Å) | Cite: | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization J.Med.Chem., 58, 2015
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3SVP
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![BU of 3svp by Molmil](/molmil-images/mine/3svp) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(3-chloro-5-fluorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2011-07-12 | Release date: | 2011-09-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase. J.Med.Chem., 54, 2011
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3SVQ
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![BU of 3svq by Molmil](/molmil-images/mine/3svq) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(2,3-difluorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(2,3-difluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2011-07-12 | Release date: | 2011-09-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase. J.Med.Chem., 54, 2011
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6H1J
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![BU of 6h1j by Molmil](/molmil-images/mine/6h1j) | TarP native | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable ss-1,3-N-acetylglucosaminyltransferase | Authors: | Guo, Y, Stehle, T. | Deposit date: | 2018-07-11 | Release date: | 2018-09-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Methicillin-resistant Staphylococcus aureus alters cell wall glycosylation to evade immunity. Nature, 563, 2018
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6H2N
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![BU of 6h2n by Molmil](/molmil-images/mine/6h2n) | TarP-UDP-GlcNAc-Mg | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Guo, Y, Stehle, T. | Deposit date: | 2018-07-13 | Release date: | 2018-09-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Methicillin-resistant Staphylococcus aureus alters cell wall glycosylation to evade immunity. Nature, 563, 2018
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