7MPZ
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3ZNS
| HDAC7 bound with TFMO inhibitor tmp942 | Descriptor: | HISTONE DEACETYLASE 7, N-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ... | Authors: | Lobera, M, Madauss, K.P, Pohlhaus, D.T, Trump, R.P, Nolan, M.A. | Deposit date: | 2013-02-15 | Release date: | 2013-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group Nat.Chem.Biol., 9, 2013
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4BO2
| Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-(1-ethylbenzimidazol-2- yl)-3-(2-methoxyphenyl)urea at 1.9A resolution | Descriptor: | 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-18 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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4BO5
| Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with N-(2-chlorophenyl)-4- pyrrol-1-yl-1,3,5-triazin-2-amine at 2.6A resolution | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine, NICKEL (II) ION | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-18 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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4BO4
| Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with N-(2-methoxyphenyl)-3,4- dihydro-2H-quinoline-1-carboxamide at 2.7A resolution | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-18 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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4BNU
| Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2-phenyl-4-(1,2,4- triazol-4-yl)quinazoline at 2.0A resolution | Descriptor: | 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-17 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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4BO1
| Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with N-(4-chloro-2,5- dimethoxyphenyl)quinoline-8-carboxamide at 2.2A resolution | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, N-(4-CHLORO-2,5-DIMETHOXYPHENYL)QUINOLINE-8-CARBOXAMIDE | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-18 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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4BNX
| Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 6-(4-(2-chloroanilino)- 1H-quinazolin-2-ylidene)cyclohexa-2, 4-dien-1-one at 2.3A resolution | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, 6-[4-(2-chloroanilino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-17 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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4BO3
| Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2-(3-(trifluoromethyl) anilino)pyridine-3-sulfonamide at 2.5A resolution | Descriptor: | 2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, NICKEL (II) ION | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-18 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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4BO9
| Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 5-(2-(furan-2-ylmethoxy) phenyl)-2-phenyltetrazole at 2.9A resolution | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, 5-[2-(FURAN-2-YLMETHOXY)PHENYL]-2-PHENYLTETRAZOLE | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-18 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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4BNW
| Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with an unknown ligand at 1. 6A resolution | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ... | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-17 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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4BNV
| Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-(2-chlorophenyl)-3-(1- methylbenzimidazol-2-yl)urea at 2.5A resolution | Descriptor: | 1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-17 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in Resolution Acs Chem.Biol., 8, 2013
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4BO0
| Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-(4-methoxy-1- methylindazol-3-yl)-3-(2-methoxyphenyl)urea at 2.4A resolution | Descriptor: | 1-(4-methoxy-1-methyl-indazol-3-yl)-3-(2-methoxyphenyl)urea, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, NICKEL (II) ION | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-17 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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4BO7
| Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with N-(2,3-dihydro-1H-inden- 5-yl)tetrazolo(1,5-b)pyridazin-6-amine at 2.6A resolution | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, N-(2,3-dihydro-1H-inden-5-yl)tetrazolo[1,5-b]pyridazin-6-amine | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-18 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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4BO6
| Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2,3-dihydroindol-1-yl-(2- thiophen-3-yl-1,3-thiazol-4-yl)methanone at 2.8A resolution | Descriptor: | 2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-18 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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3ZNR
| HDAC7 bound with inhibitor TMP269 | Descriptor: | HISTONE DEACETYLASE 7, N-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ... | Authors: | Lobera, m, madauss, k, pohlhaus, d, trump, r, nolan, m. | Deposit date: | 2013-02-15 | Release date: | 2013-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group Nat.Chem.Biol., 9, 2013
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4BO8
| Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-(2-amino-4- phenylimidazol-1-yl)-3-(2-fluorophenyl)urea at 2.7A resolution | Descriptor: | 1-(2-AMINO-4-PHENYLIMIDAZOL-1-YL)-3-(2-FLUOROPHENYL)UREA, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, SULFATE ION | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-18 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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4BNZ
| Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-methyl-N-phenylindole- 3-carboxamide at 2.5A resolution | Descriptor: | 1-methyl-N-phenyl-indole-3-carboxamide, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-17 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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4BNT
| Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2-(trifluoromethyl)-1H- benzimidazole at 2.3A resolution | Descriptor: | 2-(trifluoromethyl)-1H-benzimidazole, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-17 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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4BNY
| Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 4-(2-phenylthieno(3,2-d) pyrimidin-4-yl)morpholine at 1.8A resolution | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, 4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-17 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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4K2A
| Crystal structure of haloalkane dehalogenase DbeA from Bradyrhizobium elkani USDA94 | Descriptor: | ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase | Authors: | Prudnikova, T, Chaloupkova, R, Rezacova, P, Mozga, T, Koudelakova, T, Sato, Y, Kuty, M, Nagata, Y, Damborsky, J, Kuta Smatanova, I, Structure 2 Function Project (S2F) | Deposit date: | 2013-04-08 | Release date: | 2014-06-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional analysis of a novel haloalkane dehalogenase with two halide-binding sites. Acta Crystallogr.,Sect.D, 70, 2014
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3O0U
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3O1G
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7Z1A
| Nanobody H11 and F2 bound to RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F2 Nanobody, H11 Nanobody, ... | Authors: | Mikolajek, H, Naismith, J.H. | Deposit date: | 2022-02-24 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes. Proc.Natl.Acad.Sci.USA, 119, 2022
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7Z1C
| Nanobody H11-B5 and H11-F2 bound to RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Nanobody B5, ... | Authors: | Mikolajek, H, Naismith, J.H. | Deposit date: | 2022-02-24 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes. Proc.Natl.Acad.Sci.USA, 119, 2022
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