6OF0
 
 | | Structural basis for multidrug recognition and antimicrobial resistance by MTRR, an efflux pump regulator from Neisseria Gonorrhoeae | | Descriptor: | HTH-type transcriptional regulator MtrR, PHOSPHATE ION | | Authors: | Beggs, G.A, Kumaraswami, M, Shafer, W, Brennan, R.G. | | Deposit date: | 2019-03-28 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural, Biochemical, and In Vivo Characterization of MtrR-Mediated Resistance to Innate Antimicrobials by the Human Pathogen Neisseria gonorrhoeae .
J.Bacteriol., 201, 2019
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4MT1
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6HZM
 | | Cryo-EM structure of the ABCG2 E211Q mutant bound to ATP and Magnesium (alternative placement of Magnesium into the cryo-EM density) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family G member 2, MAGNESIUM ION | | Authors: | Manolaridis, I, Jackson, S.M, Taylor, N.M.I, Kowal, J, Stahlberg, H, Locher, K.P. | | Deposit date: | 2018-10-23 | | Release date: | 2018-11-14 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Cryo-EM structures of a human ABCG2 mutant trapped in ATP-bound and substrate-bound states.
Nature, 563, 2018
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6HBU
 | | Cryo-EM structure of the ABCG2 E211Q mutant bound to ATP and Magnesium | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family G member 2, MAGNESIUM ION | | Authors: | Manolaridis, I, Jackson, S.M, Taylor, N.M.I, Kowal, J, Stahlberg, H, Locher, K.P. | | Deposit date: | 2018-08-13 | | Release date: | 2018-11-07 | | Last modified: | 2019-10-23 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Cryo-EM structures of a human ABCG2 mutant trapped in ATP-bound and substrate-bound states.
Nature, 563, 2018
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6HCO
 | | Cryo-EM structure of the ABCG2 E211Q mutant bound to estrone 3-sulfate and 5D3-Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3-Fab heavy chain, 5D3-Fab light chain, ... | | Authors: | Manolaridis, I, Jackson, S.M, Taylor, N.M.I, Kowal, J, Stahlberg, H, Locher, K.P. | | Deposit date: | 2018-08-15 | | Release date: | 2018-11-07 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Cryo-EM structures of a human ABCG2 mutant trapped in ATP-bound and substrate-bound states.
Nature, 563, 2018
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4PQK
 | | C-Terminal domain of DNA binding protein | | Descriptor: | Maltose ABC transporter periplasmic protein, Truncated replication protein RepA, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Schumacher, M.A, Chinnam, N, Tonthat, N.K. | | Deposit date: | 2014-03-03 | | Release date: | 2014-06-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.401 Å) | | Cite: | Mechanism of staphylococcal multiresistance plasmid replication origin assembly by the RepA protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4ZZD
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6CT4
 | | TFE-induced NMR structure of an antimicrobial peptide (EcDBS1R5) derived from a mercury transporter protein (MerP - Escherichia coli) | | Descriptor: | EcDBS1R5 | | Authors: | Cardoso, M.H, Chan, L.Y, Candido, E.S, Craik, D.J, Franco, O.L. | | Deposit date: | 2018-03-22 | | Release date: | 2018-11-14 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | A Computationally Designed Peptide Derived from Escherichia coli as a Potential Drug Template for Antibacterial and Antibiofilm Therapies.
ACS Infect Dis, 4, 2018
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5DAJ
 | | Crystal structure of NalD, the secondary repressor of MexAB-OprM multidrug efflux pump in Pseudomonas aeruginosa | | Descriptor: | NalD | | Authors: | Chen, W.Z, Wang, D, Huang, S.Q, Hu, Q.Y, Liu, X.C, Gan, J.H, Chen, H. | | Deposit date: | 2015-08-20 | | Release date: | 2016-04-20 | | Last modified: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Novobiocin binding to NalD induces the expression of the MexAB-OprM pump in Pseudomonas aeruginosa
Mol.Microbiol., 100, 2016
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6TH4
 | | Tubulin-inhibitor complex | | Descriptor: | 1,2,3,9-tetramethoxy-6-methylidene-5~{H}-cyclohepta[a]naphthalen-8-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Varela, P.F, Gigant, B. | | Deposit date: | 2019-11-18 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.121 Å) | | Cite: | B-nor-methylene Colchicinoid PT-100 Selectively Induces Apoptosis in Multidrug-Resistant Human Cancer Cells via an Intrinsic Pathway in a Caspase-Independent Manner
Acs Omega, 7, 2022
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5H9T
 | | Crystal structure of native NalD at resolution of 2.9, the secondary repressor of MexAB-OprM multidrug efflux pump in Pseudomonas aeruginosa | | Descriptor: | NalD | | Authors: | Chen, W.Z, Wang, D, Huang, S.Q, Hu, Q.Y, Liu, X.C, Gan, J.H, Chen, H. | | Deposit date: | 2015-12-29 | | Release date: | 2016-04-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Novobiocin binding to NalD induces the expression of the MexAB-OprM pump in Pseudomonas aeruginosa.
Mol. Microbiol., 100, 2016
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3ECH
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7PZF
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7Q3T
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4C3Z
 | | Nucleotide-free crystal structure of nucleotide-binding domain 1 from human MRP1 supports a general-base catalysis mechanism for ATP hydrolysis. | | Descriptor: | MULTIDRUG RESISTANCE-ASSOCIATED PROTEIN 1, SULFATE ION | | Authors: | Chaptal, V, Gueguen-Chaignon, V, Magnard, S, Falson, P, Di Pietro, A, Baubichon-Cortay, H. | | Deposit date: | 2013-08-28 | | Release date: | 2014-09-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Nucleotide-Free Crystal Structure of Nucleotide-Binding Domain 1 from Human Abcc1 Supports a 'General-Base Catalysis' Mechanism for ATP Hydrolysis.
Biochem.Pharm., 3, 2014
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4V1F
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4V1G
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6NLO
 | | Human ABCC6 NBD1 H812A in Apo state | | Descriptor: | Multidrug resistance-associated protein 6, SULFATE ION | | Authors: | Zheng, A, Thibodeau, P.H. | | Deposit date: | 2019-01-08 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.85021973 Å) | | Cite: | Structures of human ABCC6 NBD1 and NBD2
To be published
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6P7F
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5NSW
 | | Xenon for tunnelling analysis of the efflux pump component OprN. | | Descriptor: | Multidrug efflux outer membrane protein OprN, NICKEL (II) ION, PALMITIC ACID, ... | | Authors: | Phan, G, Prange, T, Enguene Ntsogo, Y.V, Garnier, C, Ducruix, A, Broutin, I. | | Deposit date: | 2017-04-27 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Xenon for tunnelling analysis of the efflux pump component OprN.
PLoS ONE, 12, 2017
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3VFJ
 | | The structure of monodechloro-teicoplanin in complex with its ligand, using MBP as a ligand carrier | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose, 8-METHYLNONANOIC ACID, ... | | Authors: | Economou, N.J, Weeks, S.D, Grasty, K.C, Loll, P.J. | | Deposit date: | 2012-01-09 | | Release date: | 2013-01-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of the complex between teicoplanin and a bacterial cell-wall peptide: use of a carrier-protein approach.
Acta Crystallogr.,Sect.D, 69, 2013
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6W0V
 | | The Crystal Structure of the Mutant Nuclease Domain of Pyocin S8 with its Cognate Immunity Protein | | Descriptor: | Bacteriocin immunity protein, Pyocin S8 | | Authors: | Turano, H, Gomes, F, Domingos, R.M, Netto, L.E.S. | | Deposit date: | 2020-03-03 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.381 Å) | | Cite: | Molecular Structure and Functional Analysis of Pyocin S8 from Pseudomonas aeruginosa Reveals the Essential Requirement of a Glutamate Residue in the H-N-H Motif for DNase Activity.
J.Bacteriol., 202, 2020
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8PEE
 | | ABCB1 L335C mutant (mABCB1) in the inward facing state bound to AAC | | Descriptor: | (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1, ... | | Authors: | Parey, K, Januliene, D, Gewering, T, Moeller, A. | | Deposit date: | 2023-06-13 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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9BFN
 | | Cryo-EM co-structure of AcrB with the CU232 efflux pump inhibitor | | Descriptor: | (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Multidrug efflux pump subunit AcrB | | Authors: | Su, C.C. | | Deposit date: | 2024-04-18 | | Release date: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment.
mBio, 14, 2023
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9BFM
 | | Cryo-EM co-structure of AcrB with the EPM35 efflux pump inhibitor | | Descriptor: | (2S)-1-(3,4-dichlorophenoxy)-3-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}piperidin-1-yl)propan-2-ol, Multidrug efflux pump subunit AcrB | | Authors: | Su, C.C. | | Deposit date: | 2024-04-18 | | Release date: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment.
mBio, 14, 2023
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