7L00
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![BU of 7l00 by Molmil](/molmil-images/mine/7l00) | |
6EFJ
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![BU of 6efj by Molmil](/molmil-images/mine/6efj) | Crystal structure of NDM-1 with compound 9 | Descriptor: | (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, Metallo-beta-lactamase type 2, ZINC ION | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-08-16 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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6O5T
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![BU of 6o5t by Molmil](/molmil-images/mine/6o5t) | Crystal Structure of VIM-2 with Compound 16 | Descriptor: | ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ... | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2019-03-04 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6PK0
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![BU of 6pk0 by Molmil](/molmil-images/mine/6pk0) | Crystal Structure of OXA-48 with Hydrolyzed Imipenem | Descriptor: | (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, ... | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2019-06-28 | Release date: | 2020-01-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase. Acs Infect Dis., 6, 2020
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6PQI
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![BU of 6pqi by Molmil](/molmil-images/mine/6pqi) | |
6PSG
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![BU of 6psg by Molmil](/molmil-images/mine/6psg) | Crystal Structure of Class D Beta-lactamase OXA-48 with Faropenem | Descriptor: | (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, ... | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2019-07-12 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase. Acs Infect Dis., 6, 2020
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6PTU
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![BU of 6ptu by Molmil](/molmil-images/mine/6ptu) | |
6PT5
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![BU of 6pt5 by Molmil](/molmil-images/mine/6pt5) | Crystal Structure of Class D Beta-lactamase OXA-48 with Cefoxitin | Descriptor: | (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 | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2019-07-14 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.304 Å) | Cite: | Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase. Acs Infect Dis., 6, 2020
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6PT1
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![BU of 6pt1 by Molmil](/molmil-images/mine/6pt1) | Crystal Structure of Class D Beta-lactamase OXA-48 with Meropenem | Descriptor: | (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, ... | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2019-07-14 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase. Acs Infect Dis., 6, 2020
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6MDU
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![BU of 6mdu by Molmil](/molmil-images/mine/6mdu) | Crystal structure of NDM-1 with compound 7 | Descriptor: | 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide, GLYCEROL, Metallo-beta-lactamase type 2, ... | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-09-05 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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6MD8
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![BU of 6md8 by Molmil](/molmil-images/mine/6md8) | Crystal structure of CTX-M-14 with compound 3 | Descriptor: | 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Beta-lactamase CTX-M-14, DIMETHYL SULFOXIDE | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-09-04 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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6MEY
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![BU of 6mey by Molmil](/molmil-images/mine/6mey) | Crystal structure of KPC-2 with compound 9 | Descriptor: | (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, ACETATE ION, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-09-07 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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6M7I
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![BU of 6m7i by Molmil](/molmil-images/mine/6m7i) | Crystal structure of KPC-2 with compound 3 | Descriptor: | 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-08-20 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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6MIA
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![BU of 6mia by Molmil](/molmil-images/mine/6mia) | Crystal structure of CTX-M-14 with compound 6 | Descriptor: | 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-09-19 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.399 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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6MLL
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![BU of 6mll by Molmil](/molmil-images/mine/6mll) | Crystal structure of KPC-2 with compound 7 | Descriptor: | 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-09-27 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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6MNP
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![BU of 6mnp by Molmil](/molmil-images/mine/6mnp) | Crystal structure of KPC-2 with compound 6 | Descriptor: | 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 | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-10-02 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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6O3R
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![BU of 6o3r by Molmil](/molmil-images/mine/6o3r) | Crystal Structure of NDM-1 D199N with Compound 7 | Descriptor: | 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 | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2019-02-27 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6NY7
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![BU of 6ny7 by Molmil](/molmil-images/mine/6ny7) | Crystal Structure of NDM-1 D199N with Compound 16 | Descriptor: | Carbapenem Hydrolyzing Class B Metallo beta lactamase NDM-1, ZINC ION, [(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2019-02-11 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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7UA7
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![BU of 7ua7 by Molmil](/molmil-images/mine/7ua7) | Crystal structure of indoline 9 with KPC-2 | Descriptor: | 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 | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2022-03-11 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.247 Å) | Cite: | Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors To Be Published
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7U9B
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![BU of 7u9b by Molmil](/molmil-images/mine/7u9b) | Crystal structure of indoline 7 with KPC-2 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, [(3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-indol-1-yl][3-(trifluoromethyl)phenyl]methanone | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2022-03-10 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors To Be Published
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7U8S
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![BU of 7u8s by Molmil](/molmil-images/mine/7u8s) | Crystal Structure of KPC-2 with compound 2 | Descriptor: | 3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2022-03-09 | Release date: | 2023-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors To Be Published
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7U70
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![BU of 7u70 by Molmil](/molmil-images/mine/7u70) | Crystal Structure of CTX-M-14 with compound 2 | Descriptor: | 3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide, Beta-lactamase | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2022-03-07 | Release date: | 2023-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors To Be Published
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2Y0M
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![BU of 2y0m by Molmil](/molmil-images/mine/2y0m) | CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN DOSAGE COMPENSATION FACTORS MSL1 AND MOF | Descriptor: | ACETYL COENZYME *A, MALE-SPECIFIC LETHAL 1 HOMOLOG, PROBABLE HISTONE ACETYLTRANSFERASE MYST1, ... | Authors: | Kadlec, J, Hallacli, E, Lipp, M, Holz, H, Sanchez Weatherby, J, Cusack, S, Akhtar, A. | Deposit date: | 2010-12-03 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis for Mof and Msl3 Recruitment Into the Dosage Compensation Complex by Msl1. Nat.Struct.Mol.Biol., 18, 2011
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2Y0N
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![BU of 2y0n by Molmil](/molmil-images/mine/2y0n) | CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN DOSAGE COMPENSATION FACTORS MSL1 AND MSL3 | Descriptor: | MALE-SPECIFIC LETHAL 1 HOMOLOG, MALE-SPECIFIC LETHAL 3 HOMOLOG | Authors: | Kadlec, J, Hallacli, E, Lipp, M, Holz, H, Sanchez Weatherby, J, Cusack, S, Akhtar, A. | Deposit date: | 2010-12-04 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis for Mof and Msl3 Recruitment Into the Dosage Compensation Complex by Msl1. Nat.Struct.Mol.Biol., 18, 2011
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2BUD
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![BU of 2bud by Molmil](/molmil-images/mine/2bud) | The solution structure of the chromo barrel domain from the males- absent on the first (MOF) protein | Descriptor: | MALES-ABSENT ON THE FIRST PROTEIN | Authors: | Nielsen, P.R, Nietlispach, D, Buscaino, A, Warner, R.J, Akhtar, A, Murzin, A.G, Murzina, N.V, Laue, E.D. | Deposit date: | 2005-06-09 | Release date: | 2005-06-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of the Chromo Barrel Domain from the Mof Acetyltransferase J.Biol.Chem., 280, 2005
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