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7DV0
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BU of 7dv0 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(4-(trifluoromethyl)benzyl)-1H-imidazole-2-carboxylic acid
Descriptor: 1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-12
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DUX
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BU of 7dux by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(but-3-en-1-yl)-1H-imidazole-2-carboxylic acid
Descriptor: 1-but-3-enylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-12
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DV1
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BU of 7dv1 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(4-hydroxybenzyl)-1H-imidazole-2-carboxylic acid
Descriptor: 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-12
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.966 Å)
Cite:Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DUZ
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BU of 7duz by Molmil
Crystal structure of VIM-2 MBL in complex with 1-cyclobutyl-1H-imidazole-2-carboxylic acid
Descriptor: 1-cyclobutylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-12
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DYY
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BU of 7dyy by Molmil
Crystal structure of VIM-2 MBL in complex with 1-((2-aminobenzo[d]thiazol-6-yl)methyl)-1H-imidazole-2-carboxylic acid
Descriptor: 1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, DI(HYDROXYETHYL)ETHER, ...
Authors:Yan, Y.-H, Li, G.-B.
Deposit date:2021-01-23
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DZ1
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BU of 7dz1 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-benzyl-5-methyl-1H-imidazole-2-carboxylic acid
Descriptor: 5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Yan, Y.-H, Li, G.-B.
Deposit date:2021-01-23
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.708 Å)
Cite:Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DYZ
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BU of 7dyz by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(but-3-en-1-yl)-4-methyl-1H-imidazole-2-carboxylic acid
Descriptor: 1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ...
Authors:Yan, Y.-H, Li, G.-B.
Deposit date:2021-01-23
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DZ0
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BU of 7dz0 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(but-3-en-1-yl)-5-methyl-1H-imidazole-2-carboxylic acid
Descriptor: 1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Yan, Y.-H, Li, G.-B.
Deposit date:2021-01-23
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.227 Å)
Cite:Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
6LG2
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BU of 6lg2 by Molmil
VanR bound to Vanillate
Descriptor: 4-HYDROXY-3-METHOXYBENZOATE, Predicted transcriptional regulators
Authors:He, Y, Bharath, S.R, Song, H.
Deposit date:2019-12-04
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Developing a highly efficient hydroxytyrosol whole-cell catalyst by de-bottlenecking rate-limiting steps.
Nat Commun, 11, 2020
5YH5
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BU of 5yh5 by Molmil
The crystal structure of Staphylococcus aureus CntA in apo form
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nickel ABC transporter substrate-binding protein
Authors:Song, L, Ji, Q.
Deposit date:2017-09-27
Release date:2018-03-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanistic insights into staphylopine-mediated metal acquisition
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6LXH
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BU of 6lxh by Molmil
Staphylococcus aureus surface protein-sdrc
Descriptor: Ser-Asp rich fibrinogen-binding, bone sialoprotein-binding protein
Authors:Pi, Y, Ji, Q.
Deposit date:2020-02-11
Release date:2020-04-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Basis ofStaphylococcus aureusSurface Protein SdrC.
Biochemistry, 59, 2020
5YHG
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BU of 5yhg by Molmil
The crystal structure of Staphylococcus aureus CntA in complex with staphylopine and zinc
Descriptor: (2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Ji, Q, Song, L.
Deposit date:2017-09-28
Release date:2018-03-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Mechanistic insights into staphylopine-mediated metal acquisition
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6LXS
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BU of 6lxs by Molmil
CWA protein-SdrC
Descriptor: CALCIUM ION, GLYCEROL, Ser-Asp rich fibrinogen-binding, ...
Authors:Pi, Y, Ji, Q.
Deposit date:2020-02-11
Release date:2020-04-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural Basis ofStaphylococcus aureusSurface Protein SdrC.
Biochemistry, 59, 2020
5YH8
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BU of 5yh8 by Molmil
The crystal structure of Staphylococcus aureus CntA in complex with staphylopine and nickel
Descriptor: (2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Ji, Q, Song, L.
Deposit date:2017-09-27
Release date:2018-03-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Mechanistic insights into staphylopine-mediated metal acquisition
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5YHE
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BU of 5yhe by Molmil
The crystal structure of Staphylococcus aureus CntA in complex with staphylopine and cobalt
Descriptor: (2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Song, L, Ji, Q.
Deposit date:2017-09-28
Release date:2018-03-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.465 Å)
Cite:Mechanistic insights into staphylopine-mediated metal acquisition
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6MT3
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BU of 6mt3 by Molmil
Crystal Structure of HLA-B*18:01 in complex with NP338 influenza peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-18 alpha chain, ...
Authors:Gras, S.
Deposit date:2018-10-19
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Broad CD8+T cell cross-recognition of distinct influenza A strains in humans.
Nat Commun, 9, 2018
6MTL
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BU of 6mtl by Molmil
Crystal Structure of HLA-B*44:05 in complex with NP338 influenza peptide
Descriptor: ACETATE ION, Beta-2-microglobulin, MHC class I antigen, ...
Authors:Gras, S.
Deposit date:2018-10-19
Release date:2019-02-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Broad CD8+T cell cross-recognition of distinct influenza A strains in humans.
Nat Commun, 9, 2018
6MTM
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BU of 6mtm by Molmil
Crystal Structure of EM2 TCR in complex with HLA-B*37:01-NP338
Descriptor: Beta-2-microglobulin, EM2 TCR alpha chain, EM2 TCR beta chain, ...
Authors:Gras, S.
Deposit date:2018-10-19
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Broad CD8+T cell cross-recognition of distinct influenza A strains in humans.
Nat Commun, 9, 2018
6MT4
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BU of 6mt4 by Molmil
Crystal Structure of HLA-B*37:01 in complex with NP338-L7S influenza peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-37 alpha chain, ...
Authors:Gras, S.
Deposit date:2018-10-19
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Broad CD8+T cell cross-recognition of distinct influenza A strains in humans.
Nat Commun, 9, 2018
6MT6
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BU of 6mt6 by Molmil
Crystal Structure of HLA-B*37:01 in complex with NP338 influenza peptide
Descriptor: ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Gras, S.
Deposit date:2018-10-19
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Broad CD8+T cell cross-recognition of distinct influenza A strains in humans.
Nat Commun, 9, 2018
6MT5
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BU of 6mt5 by Molmil
Crystal Structure of HLA-B*37:01 in complex with NP338-V6L influenza peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-37 alpha chain, ...
Authors:Gras, S.
Deposit date:2018-10-19
Release date:2019-02-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Broad CD8+T cell cross-recognition of distinct influenza A strains in humans.
Nat Commun, 9, 2018
5ZNP
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BU of 5znp by Molmil
Crystal structure of PtSHL in complex with an H3K4me3 peptide
Descriptor: 15-mer peptide from Histone H3.2, SHORT LIFE family protein, ZINC ION
Authors:Lv, X, Du, J.
Deposit date:2018-04-10
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dual recognition of H3K4me3 and H3K27me3 by a plant histone reader SHL.
Nat Commun, 9, 2018
7VS2
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BU of 7vs2 by Molmil
secreted fungal effector protein MoErs1
Descriptor: MoErs1
Authors:Wang, F.F, Xing, W.M.
Deposit date:2021-10-25
Release date:2023-08-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Targeting Magnaporthe oryzae effector MoErs1 and host papain-like protease OsRD21 interaction to combat rice blast.
Nat.Plants, 2024
7WID
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BU of 7wid by Molmil
Crystal structure of Staphylococcus aureus ClpP in complex with ZG180
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, ...
Authors:Wei, B.Y, Gan, J.H, Yang, C.-G.
Deposit date:2022-01-03
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
7WGS
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BU of 7wgs by Molmil
Structure of ClpP from Staphylococcus aureus in complex with (S)-ZG197
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2R)-butan-2-yl]-8-[(1S)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit
Authors:Yang, C.-G, Gan, J.H.
Deposit date:2021-12-28
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022

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數據於2024-10-16公開中

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