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4RIH
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BU of 4rih by Molmil
Chimeric Glycosyltransferase LanGT2S8Ac, carbasugar substrate complex
Descriptor: 2'-deoxy-5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine, Glycosyl transferase homolog,Glycosyl transferase, MAGNESIUM ION
Authors:Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O.
Deposit date:2014-10-06
Release date:2015-01-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
4RII
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BU of 4rii by Molmil
Chimeric Glycosyltransferase LanGT2S8Ac, TDP complex
Descriptor: Glycosyl transferase homolog,Glycosyl transferase, MAGNESIUM ION, THYMIDINE-5'-DIPHOSPHATE
Authors:Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O.
Deposit date:2014-10-06
Release date:2015-01-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
6EUQ
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BU of 6euq by Molmil
MdfA(Q131R/L339E)
Descriptor: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, ACETATE ION, HEXANE, ...
Authors:Tam, H.K, Zomot, E, Bibi, E, Pos, K.M.
Deposit date:2017-10-31
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A New Critical Conformational Determinant of Multidrug Efflux by an MFS Transporter.
J. Mol. Biol., 430, 2018
7OUK
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BU of 7ouk by Molmil
BDM88855 inhibitor bound to the transmembrane domain of AcrB
Descriptor: (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, ...
Authors:Tam, H.K, Foong, W.E, Pos, K.M.
Deposit date:2021-06-12
Release date:2021-12-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps.
Nat Commun, 13, 2022
7OUL
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BU of 7oul by Molmil
BDM88832 inhibitor bound to the transmembrane domain of AcrB-R971A
Descriptor: (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, 1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine, ...
Authors:Tam, H.K, Foong, W.E, Pos, K.M.
Deposit date:2021-06-12
Release date:2021-12-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps.
Nat Commun, 13, 2022
7OUM
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BU of 7oum by Molmil
BDM88855 inhibitor bound to the transmembrane domain of AcrB-R971A
Descriptor: (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, 3-chloranyl-2-piperazin-1-yl-quinoline, ...
Authors:Tam, H.K, Foong, W.E, Pos, K.M.
Deposit date:2021-06-12
Release date:2021-12-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps.
Nat Commun, 13, 2022
6RX9
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BU of 6rx9 by Molmil
Crystal structure of TetR from Acinetobacter baumannii AYE
Descriptor: SULFATE ION, Tetracycline repressor protein class G
Authors:Tam, H.K, Sumyk, M, Pos, K.M.
Deposit date:2019-06-07
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of Tetracyclines to Acinetobacter baumannii TetR Involves Two Arginines as Specificity Determinants
Front Microbiol, 2021
6ZOD
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BU of 6zod by Molmil
Fusidic acid binding to the allosteric deep transmembrane domain binding pocket, TM7/TM8 groove, and TM1/TM2 groove of the fully induced AcrB T protomer
Descriptor: 1,2-ETHANEDIOL, DARPIN, DECANE, ...
Authors:Oswald, C, Tam, H.K, Pos, K.M.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6RXB
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BU of 6rxb by Molmil
Crystal structure of TetR-Q116A from Acinetobacter baumannii AYE in complex with minocycline
Descriptor: (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Tam, H.K, Himpich, S, Pos, K.M.
Deposit date:2019-06-07
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Binding of Tetracyclines to Acinetobacter baumannii TetR Involves Two Arginines as Specificity Determinants
Front Microbiol, 2021
3TOI
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BU of 3toi by Molmil
Tailoring Enzyme Stability and Exploiting Stability-Trait Linkage by Iterative Truncation and Optimization
Descriptor: Ampicillin resistance protein
Authors:Tam, H.K, Einsle, O.
Deposit date:2011-09-05
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploring the Molecular Linkage of Protein Stability Traits for Enzyme Optimization by Iterative Truncation and Evolution.
Biochemistry, 51, 2012
5JMN
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BU of 5jmn by Molmil
Fusidic acid bound AcrB
Descriptor: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15-PENTAOXAHEPTADECANE, DARPin, ...
Authors:Oswald, C, Tam, H.K, Pos, K.M.
Deposit date:2016-04-29
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Transport of lipophilic carboxylates is mediated by transmembrane helix 2 in multidrug transporter AcrB.
Nat Commun, 7, 2016
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數據於2024-11-06公開中

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