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PDB: 28 件
7L00
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Crystal Structure of C. difficile Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex with an Inhibitor
分子名称: Enoyl-Acyl Carrier Protein Reductase FabK, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Akhtar, A, Santarsiero, B.D, Hevener, K.E.
登録日2020-12-10
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal Structure of C. difficile Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex with an Inhibitor
To be published
6O5T
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Crystal Structure of VIM-2 with Compound 16
分子名称: ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ...
著者Akhtar, A, Chen, Y.
登録日2019-03-04
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6PK0
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Crystal Structure of OXA-48 with Hydrolyzed Imipenem
分子名称: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, CHLORIDE ION, GLYCEROL, ...
著者Akhtar, A, Chen, Y.
登録日2019-06-28
公開日2020-01-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020
6PQI
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Crystal Structure of Class D Beta-lactamase OXA-48 with Cefotaxime
分子名称: ACETATE ION, CEFOTAXIME, C3' cleaved, ...
著者Akhtar, A, Chen, Y.
登録日2019-07-09
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020
6PTU
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Crystal Structure of Class D Beta-lactamase OXA-48 with Imipenem
分子名称: CHLORIDE ION, Class D Carbapenemase OXA-48, Imipenem
著者Akhtar, A, Chen, Y.
登録日2019-07-16
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020
6PT1
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Crystal Structure of Class D Beta-lactamase OXA-48 with Meropenem
分子名称: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, CHLORIDE ION, Class D Carbapenemase OXA-48, ...
著者Akhtar, A, Chen, Y.
登録日2019-07-14
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020
6O3R
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Crystal Structure of NDM-1 D199N with Compound 7
分子名称: Carbapenem Hydrolyzing Class B Metallo beta lactamase NDM-1, ZINC ION, [(5-methoxy-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
著者Akhtar, A, Chen, Y.
登録日2019-02-27
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6NY7
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Crystal Structure of NDM-1 D199N with Compound 16
分子名称: Carbapenem Hydrolyzing Class B Metallo beta lactamase NDM-1, ZINC ION, [(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
著者Akhtar, A, Chen, Y.
登録日2019-02-11
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6PSG
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Crystal Structure of Class D Beta-lactamase OXA-48 with Faropenem
分子名称: (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid, CHLORIDE ION, Class D Carbapenemase OXA-48, ...
著者Akhtar, A, Chen, Y.
登録日2019-07-12
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020
6PT5
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Crystal Structure of Class D Beta-lactamase OXA-48 with Cefoxitin
分子名称: (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, CHLORIDE ION, Class D Carbapenemase OXA-48
著者Akhtar, A, Chen, Y.
登録日2019-07-14
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020
6MIA
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BU of 6mia by Molmil
Crystal structure of CTX-M-14 with compound 6
分子名称: 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase
著者Akhtar, A, Chen, Y.
登録日2018-09-19
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6MEY
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BU of 6mey by Molmil
Crystal structure of KPC-2 with compound 9
分子名称: (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, ACETATE ION, Carbapenem-hydrolyzing beta-lactamase KPC
著者Akhtar, A, Chen, Y.
登録日2018-09-07
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6MDU
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BU of 6mdu by Molmil
Crystal structure of NDM-1 with compound 7
分子名称: 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide, GLYCEROL, Metallo-beta-lactamase type 2, ...
著者Akhtar, A, Chen, Y.
登録日2018-09-05
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6MNP
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Crystal structure of KPC-2 with compound 6
分子名称: 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL
著者Akhtar, A, Chen, Y.
登録日2018-10-02
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6MD8
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BU of 6md8 by Molmil
Crystal structure of CTX-M-14 with compound 3
分子名称: 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Beta-lactamase CTX-M-14, DIMETHYL SULFOXIDE
著者Akhtar, A, Chen, Y.
登録日2018-09-04
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6M7I
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BU of 6m7i by Molmil
Crystal structure of KPC-2 with compound 3
分子名称: 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL
著者Akhtar, A, Chen, Y.
登録日2018-08-20
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6MLL
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Crystal structure of KPC-2 with compound 7
分子名称: 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL
著者Akhtar, A, Chen, Y.
登録日2018-09-27
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6EFJ
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Crystal structure of NDM-1 with compound 9
分子名称: (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, Metallo-beta-lactamase type 2, ZINC ION
著者Akhtar, A, Chen, Y.
登録日2018-08-16
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
7U70
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Crystal Structure of CTX-M-14 with compound 2
分子名称: 3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide, Beta-lactamase
著者Akhtar, A, Chen, Y.
登録日2022-03-07
公開日2023-03-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors
To Be Published
7U9B
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BU of 7u9b by Molmil
Crystal structure of indoline 7 with KPC-2
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, [(3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-indol-1-yl][3-(trifluoromethyl)phenyl]methanone
著者Akhtar, A, Chen, Y.
登録日2022-03-10
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors
To Be Published
7UA7
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Crystal structure of indoline 9 with KPC-2
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, tert-butyl {(3R)-3-[(1H-tetrazol-5-yl)carbamoyl]-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indol-3-yl}carbamate
著者Akhtar, A, Chen, Y.
登録日2022-03-11
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.247 Å)
主引用文献Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors
To Be Published
7U8S
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BU of 7u8s by Molmil
Crystal Structure of KPC-2 with compound 2
分子名称: 3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide, Carbapenem-hydrolyzing beta-lactamase KPC
著者Akhtar, A, Chen, Y.
登録日2022-03-09
公開日2023-03-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors
To Be Published
1XWH
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BU of 1xwh by Molmil
NMR structure of the first phd finger of autoimmune regulator protein (AIRE1): insights into apeced
分子名称: Autoimmune regulator, ZINC ION
著者Bottomley, M.J, Stier, G, Krasotkina, J, Legube, G, Simon, B, Akhtar, A, Sattler, M, Musco, G.
登録日2004-11-01
公開日2005-01-25
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献NMR structure of the first PHD finger of autoimmune regulator protein (AIRE1). Insights into autoimmune polyendocrinopathy-candidiasis-ectodermal dystrophy (APECED) disease
J.Biol.Chem., 280, 2005
2BUD
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BU of 2bud by Molmil
The solution structure of the chromo barrel domain from the males- absent on the first (MOF) protein
分子名称: MALES-ABSENT ON THE FIRST PROTEIN
著者Nielsen, P.R, Nietlispach, D, Buscaino, A, Warner, R.J, Akhtar, A, Murzin, A.G, Murzina, N.V, Laue, E.D.
登録日2005-06-09
公開日2005-06-24
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Structure of the Chromo Barrel Domain from the Mof Acetyltransferase
J.Biol.Chem., 280, 2005
2Y0M
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BU of 2y0m by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN DOSAGE COMPENSATION FACTORS MSL1 AND MOF
分子名称: ACETYL COENZYME *A, MALE-SPECIFIC LETHAL 1 HOMOLOG, PROBABLE HISTONE ACETYLTRANSFERASE MYST1, ...
著者Kadlec, J, Hallacli, E, Lipp, M, Holz, H, Sanchez Weatherby, J, Cusack, S, Akhtar, A.
登録日2010-12-03
公開日2011-01-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis for Mof and Msl3 Recruitment Into the Dosage Compensation Complex by Msl1.
Nat.Struct.Mol.Biol., 18, 2011

 

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