7NFI
 
 | |
7NFP
 | | A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I17K | | Descriptor: | CC-Type2-(LaId)4-I17K, GLYCEROL | | Authors: | Burton, A.J, Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2021-02-07 | | Release date: | 2022-03-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
|
|
7NFG
 | | A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L14A. | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CC-Type2-(LaId)4-L14A | | Authors: | Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2021-02-07 | | Release date: | 2022-03-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
|
|
7NFH
 | | A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(MaId)4. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CC-Type2-(MaId)4 | | Authors: | Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2021-02-07 | | Release date: | 2022-03-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
|
|
7NFN
 | | A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L21N-I24N. | | Descriptor: | CC-Type2-(LaId)4-L21N-I24N, HEXANE-1,6-DIOL | | Authors: | Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2021-02-07 | | Release date: | 2022-03-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
|
|
5G0W
 | | InhA in complex with a DNA encoded library hit | | Descriptor: | (2S,4S)-N-methyl-4-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]butanoyl]amino]-1-(phenylcarbonyl)pyrrolidine-2-carboxamide, ENOYL-ACYL CARRIER PROTEIN REDUCTASE, MAGNESIUM ION, ... | | Authors: | Read, J.A, Breed, J. | | Deposit date: | 2016-03-22 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5G0V
 | | InhA in complex with a DNA encoded library hit | | Descriptor: | ENOYL-ACYL CARRIER PROTEIN REDUCTASE, MAGNESIUM ION, N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-pyrazol-1-ylphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)ethanamide, ... | | Authors: | Read, J.A, Breed, J. | | Deposit date: | 2016-03-22 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5G0T
 | | InhA in complex with a DNA encoded library hit | | Descriptor: | 1-benzyl-N-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Read, J.A, Breed, J. | | Deposit date: | 2016-03-22 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5G0U
 | | InhA in complex with a DNA encoded library hit | | Descriptor: | 5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{N}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Read, J.A, Breed, J. | | Deposit date: | 2016-03-22 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5G0S
 | | InhA in complex with a DNA encoded library hit | | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Read, J.A, Breed, J. | | Deposit date: | 2016-03-22 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
4BQP
 | | Mtb InhA complex with Methyl-thiazole compound 7 | | Descriptor: | (1S)-1-(5-{[1-(2,6-DIFLUOROBENZYL)-1H-PYRAZOL-3-YL]AMINO}-1,3,4-THIADIAZOL-2-YL)-1-(4-METHYL-1,3-THIAZOL-2-YL)ETHANOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Shirude, P.S. | | Deposit date: | 2013-05-31 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Methyl-Thiazoles: A Novel Mode of Inhibition with the Potential to Develop Novel Inhibitors Targeting Inha in Mycobacterium Tuberculosis.
J.Med.Chem., 56, 2013
|
|
4BQR
 | | Mtb InhA complex with Methyl-thiazole compound 11 | | Descriptor: | (NZ)-2-[2,6-bis(fluoranyl)phenyl]-N-[5-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3H-1,3,4-thiadiazol-2-ylidene]ethanamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Shirude, P.S. | | Deposit date: | 2013-05-31 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Methyl-Thiazoles: A Novel Mode of Inhibition with the Potential to Develop Novel Inhibitors Targeting Inha in Mycobacterium Tuberculosis.
J.Med.Chem., 56, 2013
|
|
1IAM
 | | STRUCTURE OF THE TWO AMINO-TERMINAL DOMAINS OF HUMAN INTERCELLULAR ADHESION MOLECULE-1, ICAM-1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, INTERCELLULAR ADHESION MOLECULE-1 | | Authors: | Bella, J, Kolatkar, P.R, Marlor, C, Greve, J.M, Rossmann, M.G. | | Deposit date: | 1998-02-22 | | Release date: | 1998-04-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of the two amino-terminal domains of human ICAM-1 suggests how it functions as a rhinovirus receptor and as an LFA-1 integrin ligand.
Proc.Natl.Acad.Sci.USA, 95, 1998
|
|
