8FRT
 
 | | X-ray crystal structure of the N-terminal region from HCMV US11 binding to HLA-A*02:01 | | Descriptor: | GLYCEROL, Unique short US11 glycoprotein, Beta-2-microglobulin, ... | | Authors: | Watson, G.M, Berry, R, Rossjohn, J. | | Deposit date: | 2023-01-08 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Diverse cytomegalovirus US11 antagonism and MHC-A evasion strategies reveal a tit-for-tat coevolutionary arms race in hominids.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8FRR
 | | Wild-type myocilin olfactomedin domain | | Descriptor: | CALCIUM ION, GLYCEROL, Myocilin, ... | | Authors: | Ma, M.T, Lieberman, R.L, Huard, D.J.E. | | Deposit date: | 2023-01-08 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Competition between inside-out unfolding and pathogenic aggregation in an amyloid-forming beta-propeller.
Nat Commun, 15, 2024
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8FRP
 | | Acinetobacter baylyi LptB2FGC | | Descriptor: | LPS export ABC transporter permease LptG, Lipopolysaccharide export system ATP-binding protein LptB, Lipopolysaccharide export system permease protein LptF, ... | | Authors: | Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D. | | Deposit date: | 2023-01-07 | | Release date: | 2024-01-03 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | A new antibiotic traps lipopolysaccharide in its intermembrane transporter.
Nature, 625, 2024
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8FRO
 | | Acinetobacter baylyi LptB2FG bound to lipopolysaccharide and a macrocyclic peptide | | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, (7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-17,20-dichloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione, LPS export ABC transporter permease LptG, ... | | Authors: | Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D. | | Deposit date: | 2023-01-07 | | Release date: | 2024-01-03 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | A new antibiotic traps lipopolysaccharide in its intermembrane transporter.
Nature, 625, 2024
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8FRN
 | | Acinetobacter baylyi LptB2FG bound to lipopolysaccharide and Zosurabalpin | | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, LPS export ABC transporter permease LptG, ... | | Authors: | Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D. | | Deposit date: | 2023-01-07 | | Release date: | 2024-01-03 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | A new antibiotic traps lipopolysaccharide in its intermembrane transporter.
Nature, 625, 2024
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8FRM
 | | Acinetobacter baylyi LptB2FG bound to lipopolysaccharide. | | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, LPS export ABC transporter permease LptG, Lipopolysaccharide export system ATP-binding protein LptB, ... | | Authors: | Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D. | | Deposit date: | 2023-01-07 | | Release date: | 2024-01-03 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | A new antibiotic traps lipopolysaccharide in its intermembrane transporter.
Nature, 625, 2024
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8FRL
 | | Acinetobacter baylyi LptB2FG bound to lipopolysaccharide and a macrocyclic peptide | | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, (7S,10S,13S,17P)-10-(4-aminobutyl)-7-(3-aminopropyl)-17-(6-aminopyridin-3-yl)-20-chloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D. | | Deposit date: | 2023-01-07 | | Release date: | 2024-01-03 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | A new antibiotic traps lipopolysaccharide in its intermembrane transporter.
Nature, 625, 2024
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8FRK
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8FRJ
 | | Structure of nsp14 N7-MethylTransferase domain fused with TELSAM bound to SGC0946 | | Descriptor: | 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Transcription factor ETV6,Guanine-N7 methyltransferase nsp14 chimera, ZINC ION | | Authors: | Kottur, J, Aggarwal, A.K. | | Deposit date: | 2023-01-07 | | Release date: | 2023-07-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structures of SARS-CoV-2 N7-methyltransferase with DOT1L and PRMT7 inhibitors provide a platform for new antivirals.
Plos Pathog., 19, 2023
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8FR6
 | | Antibody vFP53.02 in complex with HIV-1 envelope trimer BG505 DS-SOSIP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Wang, S, Kwong, P.D. | | Deposit date: | 2023-01-06 | | Release date: | 2023-04-19 | | Last modified: | 2023-06-07 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
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8FR5
 | | Crystal structure of the Human Smacovirus 1 Rep domain | | Descriptor: | MANGANESE (II) ION, Rep, SODIUM ION | | Authors: | Limon, L.K, Shi, K, Dao, A, Rugloski, J, Tompkins, K.J, Aihara, H, Gordon, W.R, Evans IIII, R.L. | | Deposit date: | 2023-01-06 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | The crystal structure of the human smacovirus 1 Rep domain.
Acta Crystallogr.,Sect.F, 79, 2023
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8FR4
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8FR2
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8FR1
 | | Carbonic Anhydrase IX in complex with the alkyl urea compound 3g | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ... | | Authors: | Combs, J.C, McKenna, R. | | Deposit date: | 2023-01-06 | | Release date: | 2023-02-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
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8FQX
 | | Carbonic Anhydrase II in complex with the alkyl ureas 3g | | Descriptor: | 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Combs, J.E, McKenna, R. | | Deposit date: | 2023-01-06 | | Release date: | 2023-02-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.496 Å) | | Cite: | New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
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8FQW
 | | ADC-30 in complex with boronic acid transition state inhibitor MB076 | | Descriptor: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... | | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Ruiz, V.J. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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8FQV
 | | apo ADC-30 beta-lactamase | | Descriptor: | Beta-lactamase, PHOSPHATE ION | | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Ruiz, V.J. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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8FQU
 | | ADC-219 in complex with boronic acid transition state inhibitor MB076 | | Descriptor: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE | | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Maurer, O.L. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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8FQT
 | | Apo ADC-219 beta-lactamase | | Descriptor: | Beta-lactamase, PHOSPHATE ION | | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Maurer, O.L. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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8FQS
 | | ADC-212 in complex with boronic acid transition state inhibitor MB076 | | Descriptor: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... | | Authors: | Powers, R.A, Wallar, B.J, June, C.M. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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8FQR
 | | Apo ADC-212 beta-lactamase | | Descriptor: | Beta-lactamase, GLYCINE, PHOSPHATE ION | | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Beardsley, T.J. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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8FQQ
 | | ADC-162 in complex with boronic acid transition state inhibitor MB076 | | Descriptor: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, GLYCINE, ... | | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Fernando, M.C. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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8FQP
 | | apo ADC-162 beta-lactamase | | Descriptor: | Beta-lactamase, GLYCINE, PHOSPHATE ION | | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Fernando, M.C. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.419 Å) | | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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8FQO
 | | ADC-33 in complex with boronic acid transition state inhibitor MB076 | | Descriptor: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Fish, E.R. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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8FQN
 | | apo ADC-33 beta-lactamase | | Descriptor: | Beta-lactamase, GLYCINE, PHOSPHATE ION | | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Fish, E.R. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.256 Å) | | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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