5QA4
| OXA-48 IN COMPLEX WITH COMPOUND 3a | Descriptor: | 1,2-ETHANEDIOL, 3-(2-methylphenyl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAO
| OXA-48 IN COMPLEX WITH COMPOUND 19b | Descriptor: | 1,2-ETHANEDIOL, 3-[4-(methylsulfonylaminomethyl)phenyl]benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QB0
| OXA-48 IN COMPLEX WITH COMPOUND 35 | Descriptor: | 1,2-ETHANEDIOL, 3-pyridin-2-ylbenzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAB
| OXA-48 IN COMPLEX WITH COMPOUND 6b | Descriptor: | 1,2-ETHANEDIOL, 3-(3-methoxyphenyl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAN
| OXA-48 IN COMPLEX WITH COMPOUND 19a | Descriptor: | 3-[3-(methylsulfonylaminomethyl)phenyl]benzoic acid, Beta-lactamase, CHLORIDE ION | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QB2
| OXA-48 IN COMPLEX WITH COMPOUND 38 | Descriptor: | 1,2-ETHANEDIOL, 3-quinolin-6-yl-5-quinolin-7-yl-benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAH
| OXA-48 IN COMPLEX WITH COMPOUND 9b | Descriptor: | 1,2-ETHANEDIOL, 3-(3-methoxycarbonylphenyl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAZ
| OXA-48 IN COMPLEX WITH COMPOUND 34 | Descriptor: | 1,2-ETHANEDIOL, 3-(1~{H}-indol-5-yl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QA6
| OXA-48 IN COMPLEX WITH COMPOUND 4a | Descriptor: | 1,2-ETHANEDIOL, 3-(2-hydroxyphenyl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAS
| OXA-48 IN COMPLEX WITH COMPOUND 23b | Descriptor: | 1,2-ETHANEDIOL, 3-[4-(2-acetamidoethyl)phenyl]benzoic acid, Beta-lactamase | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAJ
| OXA-48 IN COMPLEX WITH COMPOUND 13 | Descriptor: | 1,2-ETHANEDIOL, 3-(4-aminophenyl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAY
| OXA-48 IN COMPLEX WITH COMPOUND 32 | Descriptor: | 1,2-ETHANEDIOL, 3-(1-methylpyrrol-2-yl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QA7
| OXA-48 IN COMPLEX WITH COMPOUND 4b | Descriptor: | 1,2-ETHANEDIOL, 3-(3-hydroxyphenyl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAP
| OXA-48 IN COMPLEX WITH COMPOUND 21a | Descriptor: | 1,2-ETHANEDIOL, 3-(3-acetamidophenyl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAF
| OXA-48 IN COMPLEX WITH COMPOUND 8c | Descriptor: | 1,2-ETHANEDIOL, 3-(4-fluorophenyl)benzoic acid, Beta-lactamase, ... | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAR
| OXA-48 IN COMPLEX WITH COMPOUND 23a | Descriptor: | 3-[3-(2-acetamidoethyl)phenyl]benzoic acid, Beta-lactamase, CHLORIDE ION | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-11 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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4BYZ
| Structural characterization using Sulfur-SAD of the cytoplasmic domain of Burkholderia pseudomallei PilO2Bp, an actin-like protein component of a Type IVb R64-derivative pilus machinery. | Descriptor: | PHOSPHATE ION, POTASSIUM ION, TYPE IV PILUS BIOSYNTHESIS PROTEIN | Authors: | Lassaux, P, Manjasetty, B.A, Conchillo-Sole, O, Yero, D, Gourlay, L, Perletti, L, Daura, X, Belrhali, H, Bolognesi, M. | Deposit date: | 2013-07-22 | Release date: | 2014-04-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Redefining the Pf06864 Pfam Family Based on Burkholderia Pseudomallei Pilo2BP S-Sad Crystal Structure. Plos One, 9, 2014
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3EZR
| CDK-2 with indazole inhibitor 17 bound at its active site | Descriptor: | 3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2 | Authors: | Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X. | Deposit date: | 2008-10-23 | Release date: | 2009-02-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor Bioorg.Med.Chem.Lett., 19, 2009
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3FN1
| E2-RING expansion of the NEDD8 cascade confers specificity to cullin modification. | Descriptor: | NEDD8-activating enzyme E1 catalytic subunit, NEDD8-conjugating enzyme UBE2F | Authors: | Huang, D.T, Ayrault, O, Hunt, H.W, Taherbhoy, A.M, Duda, D.M, Scott, D.C, Borg, L.A, Neale, G, Murray, P.J, Roussel, M.F, Schulman, B.A. | Deposit date: | 2008-12-22 | Release date: | 2009-03-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | E2-RING expansion of the NEDD8 cascade confers specificity to cullin modification Mol.Cell, 33, 2009
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3F5X
| CDK-2-Cyclin complex with indazole inhibitor 9 bound at its active site | Descriptor: | 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2, Cyclin-A2, ... | Authors: | Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X. | Deposit date: | 2008-11-04 | Release date: | 2009-02-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor. Bioorg.Med.Chem.Lett., 19, 2009
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2W5F
| High resolution crystallographic structure of the Clostridium thermocellum N-terminal endo-1,4-beta-D-xylanase 10B (Xyn10B) CBM22-1- GH10 modules complexed with xylohexaose | Descriptor: | ACETATE ION, CADMIUM ION, ENDO-1,4-BETA-XYLANASE Y, ... | Authors: | Najmudin, S, Pinheiro, B.A, Romao, M.J, Prates, J.A.M, Fontes, C.M.G.A. | Deposit date: | 2008-12-10 | Release date: | 2010-01-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Putting an N-Terminal End to the Clostridium Thermocellum Xylanase Xyn10B Story: Crystal Structure of the Cbm22-1-Gh10 Modules Complexed with Xylohexaose. J.Struct.Biol., 172, 2010
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4AZD
| T57V mutant of aspartate decarboxylase | Descriptor: | ASPARTATE 1-DECARBOXYLASE, MALONATE ION | Authors: | Webb, M.E, Yorke, B.A, Kershaw, T, Lovelock, S, Lobley, C.M.C, Kilkenny, M.L, Smith, A.G, Blundell, T.L, Pearson, A.R, Abell, C. | Deposit date: | 2012-06-25 | Release date: | 2012-07-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Threonine 57 is Required for the Post-Translational Activation of Escherichia Coli Aspartate Alpha-Decarboxylase Acta Crystallogr.,Sect.D, 70, 2014
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3EZV
| CDK-2 with indazole inhibitor 9 bound at its active site | Descriptor: | 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2 | Authors: | Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X. | Deposit date: | 2008-10-23 | Release date: | 2009-02-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor Bioorg.Med.Chem.Lett., 19, 2009
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4DN8
| Structure of porcine surfactant protein D neck and carbohydrate recognition domain complexed with mannose | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein D, beta-D-mannopyranose | Authors: | van Eijk, M, Rynkiewicz, M.J, White, M.R, Hartshorn, K.L, Zou, X, Schulten, K, Luo, D, Crouch, E.C, Cafarella, T.M, Head, J.F, Haagsman, H.P, Seaton, B.A. | Deposit date: | 2012-02-08 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Unique Sugar-binding Site Mediates the Distinct Anti-influenza Activity of Pig Surfactant Protein D. J.Biol.Chem., 287, 2012
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4DK9
| Crystal Structure of MBD4 Catalytic Domain Bound to Abasic DNA | Descriptor: | 5'-D(*AP*AP*GP*AP*CP*GP*TP*GP*GP*AP*C)-3', 5'-D(*TP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*T)-3', Methyl-CpG-binding domain protein 4, ... | Authors: | Manvilla, B.A, Toth, E.A, Drohat, A.C. | Deposit date: | 2012-02-03 | Release date: | 2012-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Crystal Structure of Human Methyl-Binding Domain IV Glycosylase Bound to Abasic DNA. J.Mol.Biol., 420, 2012
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