4WA8
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5ZK0
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![BU of 5zk0 by Molmil](/molmil-images/mine/5zk0) | Crystal structure of Peptidyl-tRNA hydrolase mutant -M71A from Vibrio cholerae | Descriptor: | Peptidyl-tRNA hydrolase, SODIUM ION | Authors: | Shahid, S, Kabra, A, Pal, R.K, Arora, A. | Deposit date: | 2018-03-22 | Release date: | 2018-06-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Role of methionine 71 in substrate recognition and structural integrity of bacterial peptidyl-tRNA hydrolase. Biochim. Biophys. Acta, 1866, 2018
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8TFE
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6X9X
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5IVP
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5EKT
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5GVZ
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4ZXP
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![BU of 4zxp by Molmil](/molmil-images/mine/4zxp) | Crystal structure of Peptidyl- tRNA Hydrolase from Vibrio cholerae | Descriptor: | CITRATE ANION, Peptidyl-tRNA hydrolase | Authors: | Shahid, S, Pal, R.K, Kabra, A, Yadav, R, Kumar, A, Arora, A. | Deposit date: | 2015-05-20 | Release date: | 2016-06-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Unraveling the stereochemical and dynamic aspects of the catalytic site of bacterial peptidyl-tRNA hydrolase. RNA, 23, 2017
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5B6J
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5IKE
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5IMB
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4Z86
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3OV6
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![BU of 3ov6 by Molmil](/molmil-images/mine/3ov6) | CD1c in complex with MPM (mannosyl-beta1-phosphomycoketide) | Descriptor: | 1-O-[(S)-hydroxy{[(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-beta-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | Authors: | Scharf, L, Li, N.S, Hawk, A.J, Garzon, D, Zhang, T, Kazen, A.R, Shah, S, Haddadian, E.J, Saghatelian, A, Faraldo-Gomez, J.D, Meredith, S.C, Piccirilli, J.A, Adams, E.J. | Deposit date: | 2010-09-15 | Release date: | 2011-01-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | The 2.5 A structure of CD1c in complex with a mycobacterial lipid reveals an open groove ideally suited for diverse antigen presentation Immunity, 33, 2010
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4CV1
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![BU of 4cv1 by Molmil](/molmil-images/mine/4cv1) | Crystal structure of S. aureus FabI in complex with NADPH and CG400549 | Descriptor: | 1,2-ETHANEDIOL, 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one, CHLORIDE ION, ... | Authors: | Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | Deposit date: | 2014-03-22 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor. J.Biol.Chem., 289, 2014
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4CV3
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![BU of 4cv3 by Molmil](/molmil-images/mine/4cv3) | Crystal structure of E. coli FabI in complex with NADH and PT166 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH] | Authors: | Eltschkner, S, Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | Deposit date: | 2014-03-22 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor. J.Biol.Chem., 289, 2014
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4CV0
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![BU of 4cv0 by Molmil](/molmil-images/mine/4cv0) | Crystal structure of S. aureus FabI in complex with NADPH and CG400549 (small unit cell) | Descriptor: | 1,2-ETHANEDIOL, 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], ... | Authors: | Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | Deposit date: | 2014-03-22 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor. J.Biol.Chem., 289, 2014
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4CV2
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![BU of 4cv2 by Molmil](/molmil-images/mine/4cv2) | Crystal structure of E. coli FabI in complex with NADH and CG400549 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH] | Authors: | Tareilus, M, Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | Deposit date: | 2014-03-22 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor. J.Biol.Chem., 289, 2014
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4CUZ
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![BU of 4cuz by Molmil](/molmil-images/mine/4cuz) | Crystal structure of S. aureus FabI in complex with NADPH and PT173 | Descriptor: | 1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one, ENOYL-ACP REDUCTASE MOLECULE ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | Deposit date: | 2014-03-22 | Release date: | 2014-04-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor. J.Biol.Chem., 289, 2014
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5CPF
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![BU of 5cpf by Molmil](/molmil-images/mine/5cpf) | Compensation of the effect of isoleucine to alanine mutation by designed inhibition in the InhA enzyme | Descriptor: | 2-(2-methylphenoxy)-5-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, H.-J, Lai, C.-T, Pan, P, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | Deposit date: | 2015-07-21 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.409 Å) | Cite: | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA. Biochemistry, 54, 2015
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5COQ
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![BU of 5coq by Molmil](/molmil-images/mine/5coq) | The effect of valine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility | Descriptor: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | Deposit date: | 2015-07-20 | Release date: | 2015-08-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA. Biochemistry, 54, 2015
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5CP8
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![BU of 5cp8 by Molmil](/molmil-images/mine/5cp8) | The effect of isoleucine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, ... | Authors: | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | Deposit date: | 2015-07-21 | Release date: | 2015-08-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA. Biochemistry, 54, 2015
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5CPB
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![BU of 5cpb by Molmil](/molmil-images/mine/5cpb) | The effect of isoleucine to alanine mutation on InhA enzyme crystallization pattern and inhibition by ligand PT70 (TCU) | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | Deposit date: | 2015-07-21 | Release date: | 2015-08-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA. Biochemistry, 54, 2015
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4C3G
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![BU of 4c3g by Molmil](/molmil-images/mine/4c3g) | cryo-EM structure of activated and oligomeric restriction endonuclease SgrAI | Descriptor: | 5'-D(*CP*CP*GP*GP*TP*GP*TP*GP*AP*AP*GP*AP*CP*CP *CP*AP*CP*GP*CP*AP*TP*CP)-3', 5'-D(*GP*AP*TP*GP*CP*GP*TP*GP*GP*GP*TP*CP*TP*TP *CP*AP*CP*AP)-3', SGRAIR RESTRICTION ENZYME | Authors: | Lyumkis, D, Talley, H, Stewart, A, Shah, S, Park, C.K, Tama, F, Potter, C.S, Carragher, B, Horton, N.C. | Deposit date: | 2013-08-23 | Release date: | 2013-09-11 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8.6 Å) | Cite: | Allosteric Regulation of DNA Cleavage and Sequence-Specificity Through Run-on Oligomerization. Structure, 21, 2013
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2MJL
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![BU of 2mjl by Molmil](/molmil-images/mine/2mjl) | Solution structure of peptidyl-tRNA hyrolase from Vibrio cholerae | Descriptor: | Peptidyl-tRNA hydrolase | Authors: | Kabra, A, Shahid, S, Yadav, R, Pulavarti, S, Shukla, V.K, Arora, A. | Deposit date: | 2014-01-11 | Release date: | 2015-01-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of peptidyl-tRNA hydrolase from Vibrio cholerae To be Published
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9BDV
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![BU of 9bdv by Molmil](/molmil-images/mine/9bdv) | NF-kappaB RelA homo-dimer bound to TA-centric kappaB DNA | Descriptor: | DNA (5'-D(*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), SULFATE ION, ... | Authors: | Biswas, T, Shahabi, S, Tsodikov, O.V. | Deposit date: | 2024-04-12 | Release date: | 2024-04-24 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA. Proc.Natl.Acad.Sci.USA, 121, 2024
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