1JTY
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![BU of 1jty by Molmil](/molmil-images/mine/1jty) | Crystal structure of the multidrug binding transcriptional regulator QacR bound to ethidium | Descriptor: | ETHIDIUM, HYPOTHETICAL TRANSCRIPTIONAL REGULATOR IN QACA 5'REGION, SULFATE ION | Authors: | Schumacher, M.A, Miller, M.C, Grkovic, S, Brown, M.H, Skurray, R.A, Brennan, R.G. | Deposit date: | 2001-08-22 | Release date: | 2001-12-12 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Structural mechanisms of QacR induction and multidrug recognition. Science, 294, 2001
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1JUM
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![BU of 1jum by Molmil](/molmil-images/mine/1jum) | Crystal structure of the multidrug binding transcriptional repressor QacR bound to the natural drug berberine | Descriptor: | BERBERINE, HYPOTHETICAL TRANSCRIPTIONAL REGULATOR IN QACA 5'REGION, SULFATE ION | Authors: | Schumacher, M.A, Miller, M.C, Grkovic, S, Brown, M.H, Skurray, R.A, Brennan, R.G. | Deposit date: | 2001-08-24 | Release date: | 2001-12-12 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Structural mechanisms of QacR induction and multidrug recognition. Science, 294, 2001
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1JT6
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![BU of 1jt6 by Molmil](/molmil-images/mine/1jt6) | Crystal structure of the multidrug binding protein QacR bound to dequalinium | Descriptor: | DEQUALINIUM, Hypothetical transcriptional regulator IN QACA 5'region, SULFATE ION | Authors: | Schumacher, M.A, Miller, M.C, Grkovic, S, Brown, M.H, Skurray, R.A, Brennan, R.G. | Deposit date: | 2001-08-20 | Release date: | 2001-12-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structural mechanisms of QacR induction and multidrug recognition. Science, 294, 2001
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1TTJ
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![BU of 1ttj by Molmil](/molmil-images/mine/1ttj) | |
1TMH
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![BU of 1tmh by Molmil](/molmil-images/mine/1tmh) | |
1TRD
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![BU of 1trd by Molmil](/molmil-images/mine/1trd) | |
1TRE
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4UWJ
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![BU of 4uwj by Molmil](/molmil-images/mine/4uwj) | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a capped pyrazole sulphonamide ligand | Descriptor: | 2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Robinson, D.A, Brand, S, Norcross, N.R, Thompson, S, Harrison, J.R, Smith, V.C, Torrie, L.S, McElroy, S.P, Hallyburton, I, Norval, S, Stojanovski, L, Simeons, F.R.C, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2014-08-12 | Release date: | 2014-12-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis. J. Med. Chem., 57, 2014
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4UWI
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![BU of 4uwi by Molmil](/molmil-images/mine/4uwi) | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand | Descriptor: | 2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Robinson, D.A, Brand, S, Norcross, N.R, Thompson, S, Harrison, J.R, Smith, V.C, Torrie, L.S, McElroy, S.P, Hallyburton, I, Norval, S, Stojanovski, L, Simeons, F.R.C, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2014-08-12 | Release date: | 2014-12-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis. J. Med. Chem., 57, 2014
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1JH9
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![BU of 1jh9 by Molmil](/molmil-images/mine/1jh9) | PURINE REPRESSOR MUTANT-HYPOXANTHINE-PURF OPERATOR COMPLEX | Descriptor: | 5'-D(*AP*AP*CP*GP*AP*AP*AP*AP*CP*GP*TP*TP*TP*TP*CP*GP*T)-3', HYPOXANTHINE, PHOSPHATE ION, ... | Authors: | Huffman, J.L, Lu, F, Zalkin, H, Brennan, R.G. | Deposit date: | 2001-06-27 | Release date: | 2002-02-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Role of residue 147 in the gene regulatory function of the Escherichia coli purine repressor. Biochemistry, 41, 2002
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1JHZ
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![BU of 1jhz by Molmil](/molmil-images/mine/1jhz) | Purine Repressor Mutant Corepressor Binding Domain Structure | Descriptor: | MAGNESIUM ION, PURINE NUCLEOTIDE SYNTHESIS REPRESSOR | Authors: | Huffman, J.L, Lu, F, Zalkin, H, Brennan, R.G. | Deposit date: | 2001-06-28 | Release date: | 2002-02-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Role of residue 147 in the gene regulatory function of the Escherichia coli purine repressor. Biochemistry, 41, 2002
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1TPD
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![BU of 1tpd by Molmil](/molmil-images/mine/1tpd) | |
1TPE
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4U1A
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![BU of 4u1a by Molmil](/molmil-images/mine/4u1a) | Crystal structure of human peroxisomal delta3,delta2, enoyl-CoA isomerase helix-10 deletion mutant (ISOB-ECI2) | Descriptor: | CHLORIDE ION, Enoyl-CoA delta isomerase 2 | Authors: | Onwukwe, G.U, Koski, M.K, Wierenga, R.K. | Deposit date: | 2014-07-15 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Human Delta (3) , Delta (2) -enoyl-CoA isomerase, type 2: a structural enzymology study on the catalytic role of its ACBP domain and helix-10. Febs J., 282, 2015
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4U19
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![BU of 4u19 by Molmil](/molmil-images/mine/4u19) | Crystal structure of human peroxisomal delta3,delta2, enoyl-CoA isomerase V349A mutant (ISOA-ECI2) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Enoyl-CoA delta isomerase 2 | Authors: | Onwukwe, G.U, Koski, M.K, Wierenga, R.K. | Deposit date: | 2014-07-15 | Release date: | 2014-12-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Human Delta (3) , Delta (2) -enoyl-CoA isomerase, type 2: a structural enzymology study on the catalytic role of its ACBP domain and helix-10. Febs J., 282, 2015
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4U18
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![BU of 4u18 by Molmil](/molmil-images/mine/4u18) | Crystal structure of human peroxisomal delta3,delta2, enoyl-CoA isomerase (ISO-ECI2) | Descriptor: | CHLORIDE ION, Enoyl-CoA delta isomerase 2, mitochondrial, ... | Authors: | Onwukwe, G.U, Koski, M.K, Wierenga, R.K. | Deposit date: | 2014-07-15 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Human Delta (3) , Delta (2) -enoyl-CoA isomerase, type 2: a structural enzymology study on the catalytic role of its ACBP domain and helix-10. Febs J., 282, 2015
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4QQ0
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4TIM
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7PPS
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![BU of 7pps by Molmil](/molmil-images/mine/7pps) | apo FabB from Pseudomonas aeruginosa with single point mutation C161A | Descriptor: | 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 1, CHLORIDE ION, ... | Authors: | Georgiou, C, Brenk, R, Yadrykhinsky, V. | Deposit date: | 2021-09-15 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure of Pseudomonas aeruginosa FabB C161A, a template for structure-based design for new antibiotics. F1000Res, 10, 2021
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8PMJ
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![BU of 8pmj by Molmil](/molmil-images/mine/8pmj) | Vanadate-trapped BSEP in nanodiscs | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Bile salt export pump, ... | Authors: | Liu, H, Irobalieva, R.N, Kowal, J, Ni, D, Nosol, K, Bang-Sorensen, R, Lancien, L, Stahlberg, H, Stieger, B, Locher, K.P. | Deposit date: | 2023-06-28 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Structural basis of bile salt extrusion and small-molecule inhibition in human BSEP. Nat Commun, 14, 2023
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8PMD
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![BU of 8pmd by Molmil](/molmil-images/mine/8pmd) | Nucleotide-bound BSEP in nanodiscs | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Bile salt export pump, MAGNESIUM ION | Authors: | Liu, H, Irobalieva, R.N, Kowal, J, Ni, D, Nosol, K, Bang-Sorensen, R, Lancien, L, Stahlberg, H, Stieger, B, Locher, K.P. | Deposit date: | 2023-06-28 | Release date: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Structural basis of bile salt extrusion and small-molecule inhibition in human BSEP. Nat Commun, 14, 2023
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8PM6
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![BU of 8pm6 by Molmil](/molmil-images/mine/8pm6) | Human bile salt export pump (BSEP) in complex with inhibitor GBM in nanodiscs | Descriptor: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Bile salt export pump, CHOLESTEROL | Authors: | Liu, H, Irobalieva, R.N, Kowal, J, Ni, D, Nosol, K, Bang-Sorensen, R, Lancien, L, Stahlberg, H, Stieger, B, Locher, K.P. | Deposit date: | 2023-06-28 | Release date: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Structural basis of bile salt extrusion and small-molecule inhibition in human BSEP. Nat Commun, 14, 2023
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8B5S
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![BU of 8b5s by Molmil](/molmil-images/mine/8b5s) | Crystal Structure of P. aeruginosa WaaG in complex with UDP-glucose | Descriptor: | UDP-glucose:(Heptosyl) LPS alpha 1,3-glucosyltransferase WaaG, URIDINE-5'-DIPHOSPHATE, URIDINE-5'-DIPHOSPHATE-GLUCOSE | Authors: | Scaletti, E, Gustafsson Westergren, R, Stenmark, P. | Deposit date: | 2022-09-24 | Release date: | 2023-10-04 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis. J.Biol.Chem., 299, 2023
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8B5Q
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8B62
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![BU of 8b62 by Molmil](/molmil-images/mine/8b62) | Crystal Structure of P. aeruginosa WaaG in complex with UDP-galactose | Descriptor: | GALACTOSE-URIDINE-5'-DIPHOSPHATE, GLYCEROL, UDP-glucose:(Heptosyl) LPS alpha 1,3-glucosyltransferase WaaG | Authors: | Scaletti, E, Gustafsson Westergren, R, Stenmark, P. | Deposit date: | 2022-09-25 | Release date: | 2023-10-04 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis. J.Biol.Chem., 299, 2023
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