2YBU
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![BU of 2ybu by Molmil](/molmil-images/mine/2ybu) | Crystal structure of human acidic chitinase in complex with bisdionin F | Descriptor: | 3,7-DIMETHYL-1-[3-(3-METHYL-2,6-DIOXO-9H-PURIN-1-YL)PROPYL]PURINE-2,6-DIONE, ACIDIC MAMMALIAN CHITINASE, GLYCEROL | Authors: | Sutherland, T.E, Andersen, O.A, Betou, M, Eggleston, I.M, Maizels, R.M, van Aalten, D, Allen, J.E. | Deposit date: | 2011-03-10 | Release date: | 2011-06-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Analyzing airway inflammation with chemical biology: dissection of acidic mammalian chitinase function with a selective drug-like inhibitor. Chem. Biol., 18, 2011
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7OKB
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![BU of 7okb by Molmil](/molmil-images/mine/7okb) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 45 | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, SULFATE ION, ... | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | Deposit date: | 2021-05-17 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.58 Å) | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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7OKC
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![BU of 7okc by Molmil](/molmil-images/mine/7okc) | Crystal structure of Escherichia coli LpxA in complex with compound 1 | Descriptor: | 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, SODIUM ION | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | Deposit date: | 2021-05-17 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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7OKA
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![BU of 7oka by Molmil](/molmil-images/mine/7oka) | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 14 | Descriptor: | 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-(1~{H}-imidazol-4-ylmethyl)ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, ... | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | Deposit date: | 2021-05-17 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa . J.Med.Chem., 64, 2021
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2BTC
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![BU of 2btc by Molmil](/molmil-images/mine/2btc) | BOVINE TRYPSIN IN COMPLEX WITH SQUASH SEED INHIBITOR (CUCURBITA PEPO TRYPSIN INHIBITOR II) | Descriptor: | CALCIUM ION, PROTEIN (TRYPSIN INHIBITOR), PROTEIN (TRYPSIN) | Authors: | Helland, R, Berglund, G.I, Otlewski, J, Apostoluk, W, Andersen, O.A, Willassen, N.P, Smalas, A.O. | Deposit date: | 1998-12-11 | Release date: | 2000-01-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High-resolution structures of three new trypsin-squash-inhibitor complexes: a detailed comparison with other trypsins and their complexes. Acta Crystallogr.,Sect.D, 55, 1999
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2STB
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![BU of 2stb by Molmil](/molmil-images/mine/2stb) | ANIONIC SALMON TRYPSIN IN COMPLEX WITH SQUASH SEED INHIBITOR (CUCURBITA PEPO TRYPSIN INHIBITOR II) | Descriptor: | CALCIUM ION, PROTEIN (TRYPSIN INHIBITOR), PROTEIN (TRYPSIN) | Authors: | Helland, R, Berglund, G.I, Otlewski, J, Apostoluk, W, Andersen, O.A, Willassen, N.P, Smalas, A.O. | Deposit date: | 1998-12-11 | Release date: | 2000-01-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-resolution structures of three new trypsin-squash-inhibitor complexes: a detailed comparison with other trypsins and their complexes. Acta Crystallogr.,Sect.D, 55, 1999
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2STA
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![BU of 2sta by Molmil](/molmil-images/mine/2sta) | ANIONIC SALMON TRYPSIN IN COMPLEX WITH SQUASH SEED INHIBITOR (CUCURBITA MAXIMA TRYPSIN INHIBITOR I) | Descriptor: | CALCIUM ION, PROTEIN (TRYPSIN INHIBITOR), PROTEIN (TRYPSIN) | Authors: | Helland, R, Berglund, G.I, Otlewski, J, Apostoluk, W, Andersen, O.A, Willassen, N.P, Smalas, A.O. | Deposit date: | 1998-12-10 | Release date: | 2000-01-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-resolution structures of three new trypsin-squash-inhibitor complexes: a detailed comparison with other trypsins and their complexes. Acta Crystallogr.,Sect.D, 55, 1999
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2A3A
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![BU of 2a3a by Molmil](/molmil-images/mine/2a3a) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with theophylline | Descriptor: | SULFATE ION, THEOPHYLLINE, chitinase | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | Deposit date: | 2005-06-24 | Release date: | 2005-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
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2A3C
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![BU of 2a3c by Molmil](/molmil-images/mine/2a3c) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with pentoxifylline | Descriptor: | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, SULFATE ION, chitinase | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | Deposit date: | 2005-06-24 | Release date: | 2005-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
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2A3E
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![BU of 2a3e by Molmil](/molmil-images/mine/2a3e) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with allosamidin | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, SULFATE ION, ... | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | Deposit date: | 2005-06-24 | Release date: | 2005-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
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2A3B
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![BU of 2a3b by Molmil](/molmil-images/mine/2a3b) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with caffeine | Descriptor: | CAFFEINE, SULFATE ION, chitinase | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | Deposit date: | 2005-06-24 | Release date: | 2005-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
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2IUZ
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![BU of 2iuz by Molmil](/molmil-images/mine/2iuz) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with C2-dicaffeine | Descriptor: | 1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE), CHITINASE, SULFATE ION | Authors: | Schuttelkopf, A.W, Andersen, O.A, Rao, F.V, Allwood, M, Lloyd, C.M, Eggleston, I.M, Van Aalten, D.M.F. | Deposit date: | 2006-06-08 | Release date: | 2006-06-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Screening-Based Discovery and Structural Dissection of a Novel Family 18 Chitinase Inhibitor J.Biol.Chem., 281, 2006
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2IUC
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![BU of 2iuc by Molmil](/molmil-images/mine/2iuc) | Structure of alkaline phosphatase from the Antarctic bacterium TAB5 | Descriptor: | ALKALINE PHOSPHATASE, CACODYLATE ION, MAGNESIUM ION, ... | Authors: | Wang, E, Koutsioulis, D, Leiros, H.K.S, Andersen, O.A, Bouriotis, V, Hough, E, Heikinheimo, P. | Deposit date: | 2006-06-01 | Release date: | 2006-11-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of Alkaline Phosphatase from the Antarctic Bacterium Tab5. J.Mol.Biol., 366, 2007
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2JHJ
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![BU of 2jhj by Molmil](/molmil-images/mine/2jhj) | 3-methyladenine dna-glycosylase from Archaeoglobus fulgidus | Descriptor: | 3-METHYLADENINE DNA-GLYCOSYLASE, GLYCEROL, SODIUM ION | Authors: | Leiros, I, Nabong, M.P, Grosvik, K, Ringvoll, J, Haugland, G.T, Uldal, L, Reite, K, Olsbu, I.K, Knaevelsrud, I, Moe, E, Andersen, O.A, Birkeland, N.K, Ruoff, P, Klungland, A, Bjelland, S. | Deposit date: | 2007-02-22 | Release date: | 2007-04-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for Enzymatic Excision of N1-Methyladenine and N3-Methylcytosine from DNA Embo J., 26, 2007
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2JHN
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![BU of 2jhn by Molmil](/molmil-images/mine/2jhn) | 3-methyladenine dna-glycosylase from Archaeoglobus fulgidus | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-METHYLADENINE DNA-GLYCOSYLASE, GLYCEROL, ... | Authors: | Leiros, I, Nabong, M.P, Grosvik, K, Ringvoll, J, Haugland, G.T, Uldal, L, Reite, K, Olsbu, I.K, Knaevelsrud, I, Moe, E, Andersen, O.A, Birkeland, N.K, Ruoff, P, Klungland, A, Bjelland, S. | Deposit date: | 2007-02-22 | Release date: | 2007-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Enzymatic Excision of N1-Methyladenine and N3-Methylcytosine from DNA Embo J., 26, 2007
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1UTO
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![BU of 1uto by Molmil](/molmil-images/mine/1uto) | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | Descriptor: | 2-PHENYLETHYLAMINE, CALCIUM ION, GLYCEROL, ... | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | Deposit date: | 2003-12-09 | Release date: | 2004-01-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements Protein Sci., 13, 2004
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1UTK
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![BU of 1utk by Molmil](/molmil-images/mine/1utk) | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | Descriptor: | CALCIUM ION, SULFATE ION, TRYPSIN I | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | Deposit date: | 2003-12-09 | Release date: | 2004-01-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements Protein Sci., 13, 2004
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1UTL
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![BU of 1utl by Molmil](/molmil-images/mine/1utl) | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-PHENYLPROPYLAMINE, CALCIUM ION, ... | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | Deposit date: | 2003-12-09 | Release date: | 2004-01-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements Protein Sci., 13, 2004
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1UTQ
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![BU of 1utq by Molmil](/molmil-images/mine/1utq) | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | Descriptor: | CALCIUM ION, GLYCEROL, TRYPSINOGEN | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | Deposit date: | 2003-12-09 | Release date: | 2004-01-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements Protein Sci., 13, 2004
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1UTN
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![BU of 1utn by Molmil](/molmil-images/mine/1utn) | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZYLAMINE, CALCIUM ION, ... | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | Deposit date: | 2003-12-09 | Release date: | 2004-01-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements Protein Sci., 13, 2004
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1UTJ
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![BU of 1utj by Molmil](/molmil-images/mine/1utj) | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | Descriptor: | BENZYLAMINE, CALCIUM ION, TRYPSIN I | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | Deposit date: | 2003-12-09 | Release date: | 2004-01-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements Protein Sci., 13, 2004
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1UTP
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![BU of 1utp by Molmil](/molmil-images/mine/1utp) | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | Descriptor: | 4-PHENYLBUTYLAMINE, CALCIUM ION, GLYCEROL, ... | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | Deposit date: | 2003-12-09 | Release date: | 2004-01-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements Protein Sci., 13, 2004
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1UTM
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![BU of 1utm by Molmil](/molmil-images/mine/1utm) | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | Descriptor: | 2-PHENYLETHYLAMINE, CALCIUM ION, TRYPSIN I | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | Deposit date: | 2003-12-09 | Release date: | 2004-01-09 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements Protein Sci., 13, 2004
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5N8C
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![BU of 5n8c by Molmil](/molmil-images/mine/5n8c) | Crystal structure of Pseudomonas aeruginosa LpxC complexed with inhibitor | Descriptor: | (2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide, CHLORIDE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Cross, J.B, Ryan, M.D, Zhang, J, Cheng, R.K, Wood, M, Andersen, O.A, Brooks, M, Kwong, J, Barker, J. | Deposit date: | 2017-02-23 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based discovery of LpxC inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5D7D
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![BU of 5d7d by Molmil](/molmil-images/mine/5d7d) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ... | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | Deposit date: | 2015-08-13 | Release date: | 2015-11-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors. Acs Med.Chem.Lett., 6, 2015
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