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6F2N
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BU of 6f2n by Molmil
Crystal structure of BCII Metallo-beta-lactamase in complex with KDU197
Descriptor: (~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
Authors:McDonough, M.A, El-Hussein, A, Schofield, C.J, Zhang, D, Brem, J.
Deposit date:2017-11-24
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.149 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
6EUM
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BU of 6eum by Molmil
CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307
Descriptor: (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
Authors:Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J.
Deposit date:2017-10-30
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
6EWE
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BU of 6ewe by Molmil
Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308
Descriptor: (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
Authors:Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J.
Deposit date:2017-11-03
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
5UG5
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BU of 5ug5 by Molmil
NMR SOLUTION STRUCTURE OF THE ALPHA-CONOTOXIN GID MUTANT V13Y
Descriptor: Alpha-conotoxin GID
Authors:Hussein, A, Leffler, A.E, Kuryatov, A, Zebroski, H.A, Powell, S.R, Filipenko, P, Gorson, J, Heizmann, A, Lyskov, S, Nicke, A, Lindstrom, J, Rudy, B, Bonneau, R, Holford, M, Poget, S.F.
Deposit date:2017-01-06
Release date:2017-09-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Discovery of peptide ligands through docking and virtual screening at nicotinic acetylcholine receptor homology models.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8F6H
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BU of 8f6h by Molmil
Cryo-EM structure of a Zinc-loaded asymmetrical TMD D70A mutant of the YiiP-Fab complex
Descriptor: Cadmium and zinc efflux pump FieF, Fab2r heavy chain, Fab2r light chain, ...
Authors:Lopez-Redondo, M.L, Hussein, A.K, Stokes, D.L.
Deposit date:2022-11-16
Release date:2023-02-08
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Energy coupling and stoichiometry of Zn 2+ /H + antiport by the prokaryotic cation diffusion facilitator YiiP.
Elife, 12, 2023
8F6E
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BU of 8f6e by Molmil
Cryo-EM structure of a Zinc-loaded wild-type YiiP-Fab complex
Descriptor: Cadmium and zinc efflux pump FieF, Fab heavy chain, Fab light chain, ...
Authors:Lopez-Redondo, M.L, Hussein, A.K, Stokes, D.L.
Deposit date:2022-11-16
Release date:2023-02-08
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Energy coupling and stoichiometry of Zn 2+ /H + antiport by the prokaryotic cation diffusion facilitator YiiP.
Elife, 12, 2023
8F6K
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BU of 8f6k by Molmil
Cryo-EM structure of a Zinc-loaded H263A/D287A mutant of the YiiP-Fab complex
Descriptor: Cadmium and zinc efflux pump FieF, ZINC ION
Authors:Lopez-Redondo, M.L, Hussein, A.K, Stokes, D.L.
Deposit date:2022-11-16
Release date:2023-02-08
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Energy coupling and stoichiometry of Zn 2+ /H + antiport by the prokaryotic cation diffusion facilitator YiiP.
Elife, 12, 2023
8F6F
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BU of 8f6f by Molmil
Cryo-EM structure of a Zinc-loaded D51A mutant of the YiiP-Fab complex
Descriptor: Cadmium and zinc efflux pump FieF, Fab2r heavy chain, Fab2r light chain, ...
Authors:Lopez-Redondo, M.L, Hussein, A.K, Stokes, D.L.
Deposit date:2022-11-16
Release date:2023-02-08
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Energy coupling and stoichiometry of Zn 2+ /H + antiport by the prokaryotic cation diffusion facilitator YiiP.
Elife, 12, 2023
8F6J
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BU of 8f6j by Molmil
Cryo-EM structure of a Zinc-loaded D287A mutant of the YiiP-Fab complex
Descriptor: Cadmium and zinc efflux pump FieF, Fab2r heavy chain, Fab2r light chain, ...
Authors:Lopez-Redondo, M.L, Hussein, A.K, Stokes, D.L.
Deposit date:2022-11-16
Release date:2023-02-08
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Energy coupling and stoichiometry of Zn 2+ /H + antiport by the prokaryotic cation diffusion facilitator YiiP.
Elife, 12, 2023
8F6I
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BU of 8f6i by Molmil
Cryo-EM structure of a Zinc-loaded symmetrical D70A mutant of the YiiP-Fab complex
Descriptor: Cadmium and zinc efflux pump FieF, Fab2r heavy chain, Fab2r light chain, ...
Authors:Lopez-Redondo, M.L, Hussein, A.K, Stokes, D.L.
Deposit date:2022-11-16
Release date:2023-02-08
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (4.03 Å)
Cite:Energy coupling and stoichiometry of Zn 2+ /H + antiport by the prokaryotic cation diffusion facilitator YiiP.
Elife, 12, 2023
6EW3
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BU of 6ew3 by Molmil
Crystal structure of the metallo-beta-lactamase VIM-2 with ML302F
Descriptor: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Collins, P.M, Brem, J, McDonough, M.A, van Berkel, S.S, von Delft, F, Schofield, C.J.
Deposit date:2017-11-03
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
7B4Q
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BU of 7b4q by Molmil
Structure of a cold active HSL family esterase reveals mechanisms of low temperature adaptation and substrate specificity
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Rizkallah, P.J, Jones, D.D, Noby, N, Auhim, H.
Deposit date:2020-12-02
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structure and in silico simulations of a cold-active esterase reveals its prime cold-adaptation mechanism.
Open Biology, 11, 2021
5JMX
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BU of 5jmx by Molmil
Crystal Structure of BcII metallo-beta-lactamase in complex with DZ-305
Descriptor: (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
Authors:Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, Brem, J.
Deposit date:2016-04-29
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
4UDD
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BU of 4udd by Molmil
GR in complex with desisobutyrylciclesonide
Descriptor: 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DESISOBUYTYRYL CICLESONIDE, ...
Authors:Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V.
Deposit date:2014-12-09
Release date:2015-11-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
4UDC
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BU of 4udc by Molmil
GR in complex with dexamethasone
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DEXAMETHASONE, GLUCOCORTICOID RECEPTOR, ...
Authors:Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V.
Deposit date:2014-12-09
Release date:2015-11-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
4UDB
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BU of 4udb by Molmil
MR in complex with desisobutyrylciclesonide
Descriptor: DESISOBUYTYRYL CICLESONIDE, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Edman, K, Hogner, A, Hussein, A, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, JellesmarkJensen, T, Cavallin, A, Nilsson, E, Lepisto, M, Guallar, V.
Deposit date:2014-12-09
Release date:2015-11-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
4UDA
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BU of 4uda by Molmil
MR in complex with dexamethasone
Descriptor: DEXAMETHASONE, GLYCEROL, MINERALOCORTICOID RECEPTOR, ...
Authors:Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V.
Deposit date:2014-12-09
Release date:2015-11-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015

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