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PDB: 178 results
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
2KUO
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BU of 2kuo by Molmil
Structure and identification of ADP-ribose recognition motifs of APLF and role in the DNA damage response
Descriptor: Aprataxin and PNK-like factor, ZINC ION
Authors:Li, G.Y, McCulloch, R.D, Fenton, A, Cheung, M, Meng, L, Ikura, M, Koch, C.A.
Deposit date:2010-02-23
Release date:2010-05-05
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and identification of ADP-ribose recognition motifs of aprataxin PNK-like factor (APLF) required for the interaction with sites of DNA damage response
To be Published
7DML
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BU of 7dml by Molmil
OXA-48 carbapenemase in complex with (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid
Descriptor: 2-[(3R)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid, Beta-lactamase
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2020-12-04
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:Design and enantioselective synthesis of 3-(alpha-acrylic acid) benzoxaboroles to combat carbapenemase resistance
Chem.Commun.(Camb.), 57, 2021
7E9A
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BU of 7e9a by Molmil
Crystal structure of KPC-2 in complex with (S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid (4a-(S))
Descriptor: 2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid, ACETIC ACID, Beta-lactamase, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-03-03
Release date:2021-08-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Design and enantioselective synthesis of 3-( alpha-acrylic acid) benzoxaboroles to combat carbapenemase resistance.
Chem.Commun.(Camb.), 57, 2021
7DUY
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BU of 7duy by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(2-(1H-1,2,3-triazol-1-yl)ethyl)-1H-imidazole-2-carboxylic acid
Descriptor: 1-[2-(1,2,3-triazol-1-yl)ethyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
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 (1.999 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
6J8R
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BU of 6j8r by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01
Descriptor: Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-01-21
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.575 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6J8Q
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BU of 6j8q by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-01-21
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.787 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN4
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BU of 6jn4 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
Descriptor: ACETATE ION, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-03-13
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN5
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BU of 6jn5 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23
Descriptor: Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
Authors:Li, G.-B, Liu, S.
Deposit date:2019-03-13
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN3
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BU of 6jn3 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-03-13
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.216 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN6
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BU of 6jn6 by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19
Descriptor: Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-03-13
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
8HY3
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BU of 8hy3 by Molmil
Crystal structure of human secretory glutaminyl cyclase in complex with 1-benzyl-5-methyl-1H-imidazole
Descriptor: 5-methyl-1-(phenylmethyl)imidazole, CARBON DIOXIDE, GLYCEROL, ...
Authors:Li, G.-B, Deng, J.
Deposit date:2023-01-05
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Crystal structure of human secretory glutaminyl cyclase in complex with 1-benzyl-5-methyl-1H-imidazole
To Be Published
7WHE
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BU of 7whe by Molmil
The mutant crystal structure of b-1,4-Xylanase (XynAF1_R246K) with xylobiose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, GLYCEROL, ...
Authors:Li, G.Q, Zhang, R.F.
Deposit date:2021-12-30
Release date:2023-01-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The mutant crystal structure of b-1,4-Xylanase (XynAF1_R246K) with xylobiose
To Be Published
7WH6
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BU of 7wh6 by Molmil
The mutant crystal structure of b-1,4-Xylanase (XynAF1_N179S)
Descriptor: Beta-xylanase, GLYCEROL, alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, G.Q, Zhang, R.F.
Deposit date:2021-12-30
Release date:2023-01-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The mutant crystal structure of b-1,4-Xylanase (XynAF1_N179S)
To Be Published
7WH7
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BU of 7wh7 by Molmil
The mutant crystal structure of b-1,4-Xylanase (XynAF1_N179S) with xylotetraose
Descriptor: Beta-xylanase, alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, G.Q, Zhang, R.F.
Deposit date:2021-12-30
Release date:2023-01-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:The mutant crystal structure of b-1,4-Xylanase (XynAF1_N179S) with xylotetraose
To Be Published
7WHA
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BU of 7wha by Molmil
The mutant crystal structure of b-1,4-Xylanase (XynAF1_R246K)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, GLYCEROL
Authors:Li, G.Q, Zhang, R.F.
Deposit date:2021-12-30
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:The mutant crystal structure of b-1,4-Xylanase (XynAF1_R246K)
To Be Published
8W7R
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BU of 8w7r by Molmil
H. walsbyi bacteriorhodopsin mutant - W94F
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin-I, GLYCEROL, ...
Authors:Li, G.Y, Chen, J.C, Yang, C.S.
Deposit date:2023-08-31
Release date:2024-10-02
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Crystal structure of H. walsbyi bacteriorhodopsin mutant - W94F at 2.38 Angstroms resolution.
To Be Published
6JDY
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BU of 6jdy by Molmil
Ligand complex structure of GH10 family xylanase XynAF1, soaking for 120 minutes
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, ...
Authors:Li, G, Miao, Y, Zhang, R.
Deposit date:2019-02-02
Release date:2020-05-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of GH10 family xylanase XynAF1 from Aspergillus fumigatus Z5
To Be Published
5Y6D
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BU of 5y6d by Molmil
VIM-2 metallo-beta-lactamase in complex with (R)-2-(4-fluorophenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid (compound 11)
Descriptor: (2R)-2-(4-fluorophenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Li, G.-B.
Deposit date:2017-08-11
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:((S)-3-Mercapto-2-methylpropanamido)acetic acid derivatives as metallo-beta-lactamase inhibitors: Synthesis, kinetic and crystallographic studies.
Eur J Med Chem, 145, 2018
6JDT
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BU of 6jdt by Molmil
Crystal structure of GH10 family xylanase XynAF1 from Aspergillus fumigatus Z5
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase
Authors:Li, G, Miao, Y, Zhang, R.
Deposit date:2019-02-02
Release date:2020-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal structure of GH10 family xylanase XynAF1 from Aspergillus fumigatus Z5
To Be Published
6JE2
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BU of 6je2 by Molmil
Ligand complex structure of GH10 family xylanase XynAF1, soaking for 80 minutes
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, ...
Authors:Li, G, Miao, Y, Zhang, R.
Deposit date:2019-02-02
Release date:2020-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Crystal structure of GH10 family xylanase XynAF1 from Aspergillus fumigatus Z5
To Be Published
5Y6E
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BU of 5y6e by Molmil
VIM-2 metallo-beta-lactamase in complex with (R)-2-(4-hydroxyphenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid (compound 12)
Descriptor: (2R)-2-(4-hydroxyphenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Li, G.-B.
Deposit date:2017-08-11
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:((S)-3-Mercapto-2-methylpropanamido)acetic acid derivatives as metallo-beta-lactamase inhibitors: Synthesis, kinetic and crystallographic studies.
Eur J Med Chem, 145, 2018
6JE0
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BU of 6je0 by Molmil
Ligand complex structure of GH10 family xylanase XynAF1, soaking for 30 minutes
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, ...
Authors:Li, G, Miao, Y, Zhang, R.
Deposit date:2019-02-02
Release date:2020-05-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structure of GH10 family xylanase XynAF1 from Aspergillus fumigatus Z5
To Be Published
6JDZ
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BU of 6jdz by Molmil
Ligand complex structure of GH10 family xylanase XynAF1, soaking for 20 minutes
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, ...
Authors:Li, G, Miao, Y, Zhang, R.
Deposit date:2019-02-02
Release date:2020-05-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Crystal structure of GH10 family xylanase XynAF1 from Aspergillus fumigatus Z5
To Be Published

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