6OF0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6of0 by Molmil](/molmil-images/mine/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
|
|
4MT1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mt1 by Molmil](/molmil-images/mine/4mt1) | |
6HZM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hzm by Molmil](/molmil-images/mine/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
|
|
6HBU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hbu by Molmil](/molmil-images/mine/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
|
|
6HCO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hco by Molmil](/molmil-images/mine/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
|
|
4PQK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pqk by Molmil](/molmil-images/mine/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
|
|
4ZZD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zzd by Molmil](/molmil-images/mine/4zzd) | |
6CT4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ct4 by Molmil](/molmil-images/mine/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
|
|
5DAJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5daj by Molmil](/molmil-images/mine/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
|
|
6TH4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6th4 by Molmil](/molmil-images/mine/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
|
|
5H9T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h9t by Molmil](/molmil-images/mine/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
|
|
3ECH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ech by Molmil](/molmil-images/mine/3ech) | |
7PZF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pzf by Molmil](/molmil-images/mine/7pzf) | |
7Q3T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q3t by Molmil](/molmil-images/mine/7q3t) | |
4C3Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c3z by Molmil](/molmil-images/mine/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
|
|
4V1F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v1f by Molmil](/molmil-images/mine/4v1f) | |
4V1G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v1g by Molmil](/molmil-images/mine/4v1g) | |
6NLO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nlo by Molmil](/molmil-images/mine/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
|
|
6P7F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p7f by Molmil](/molmil-images/mine/6p7f) | |
5NSW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nsw by Molmil](/molmil-images/mine/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
|
|
3VFJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vfj by Molmil](/molmil-images/mine/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
|
|
6W0V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w0v by Molmil](/molmil-images/mine/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
|
|
8PEE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pee by Molmil](/molmil-images/mine/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
|
|
9BFN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bfn by Molmil](/molmil-images/mine/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
|
|
9BFM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bfm by Molmil](/molmil-images/mine/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
|
|