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2ODM
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BU of 2odm by Molmil
Crystal structure of S. aureus YlaN, an essential leucine rich protein involved in the control of cell shape
Descriptor: UPF0358 protein MW0995
Authors:Xu, L, Sedelnikova, S.E, Baker, P.J, Errington, J, Hunt, A, Rice, D.W.
Deposit date:2006-12-23
Release date:2007-06-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal structure of S. aureus YlaN, an essential leucine rich protein involved in the control of cell shape.
Proteins, 68, 2007
6WI5
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BU of 6wi5 by Molmil
De novo designed protein Foldit4
Descriptor: De novo designed protein Foldit4
Authors:Bera, A.K, Koepnick, B, Boykov, A, Baker, D.
Deposit date:2020-04-08
Release date:2020-04-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:De novo design of protein logic gates.
Science, 368, 2020
7OKB
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BU of 7okb by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 45
Descriptor: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, SULFATE ION, ...
Authors:Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
Deposit date:2021-05-17
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.58 Å)
Cite:Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OKC
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BU of 7okc by Molmil
Crystal structure of Escherichia coli LpxA in complex with compound 1
Descriptor: 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, SODIUM ION
Authors:Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
Deposit date:2021-05-17
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OJY
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BU of 7ojy by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 6
Descriptor: 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION
Authors:Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
Deposit date:2021-05-17
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OJQ
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BU of 7ojq by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 7
Descriptor: 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase
Authors:Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
Deposit date:2021-05-17
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OKA
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BU of 7oka by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 14
Descriptor: 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-(1~{H}-imidazol-4-ylmethyl)ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, ...
Authors:Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
Deposit date:2021-05-17
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OJW
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BU of 7ojw by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 93
Descriptor: 2-[2-(2-ethylphenoxy)ethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-~{N}-methyl-ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase
Authors:Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
Deposit date:2021-05-17
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OK1
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BU of 7ok1 by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3
Descriptor: Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide
Authors:Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
Deposit date:2021-05-17
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OJ6
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BU of 7oj6 by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1
Descriptor: 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, ACETATE ION, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, ...
Authors:Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
Deposit date:2021-05-14
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OK2
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BU of 7ok2 by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3
Descriptor: Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, SULFATE ION, ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide
Authors:Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
Deposit date:2021-05-17
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OJP
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BU of 7ojp by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1
Descriptor: 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, MAGNESIUM ION
Authors:Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
Deposit date:2021-05-17
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7PHJ
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BU of 7phj by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-08-17
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7PHN
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BU of 7phn by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-08-17
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7PJ2
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BU of 7pj2 by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2R,4R)-4-[[(2S,4S)-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-N-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7PJG
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BU of 7pjg by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2R,4R)-N-[[4-(4-cyclopropylbuta-1,3-diynyl)phenyl]methyl]-1-(2-methylpropanoyl)-4-[[(2S,4R)-4-oxidanylpyrrolidin-2-yl]carbonylamino]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-08-24
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7PK8
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BU of 7pk8 by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2S,4S)-4-fluoranyl-N-[(3R,5R)-5-[[[4-[2-(4-methylphenyl)ethynyl]phenyl]carbonylamino]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-08-25
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7PKK
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BU of 7pkk by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2R,4R)-1-cyclopropylcarbonyl-4-[[(2S,4S)-4-fluoranylpyrrolidin-2-yl]carbonylamino]-N-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-08-25
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7PKM
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BU of 7pkm by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[2-methyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-08-25
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7PZV
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BU of 7pzv by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[4-[2-[4-[(1S)-2-methoxy-1-oxidanyl-ethyl]phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-10-13
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7PZS
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BU of 7pzs by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2S,4S)-N-((3R,5R)-5-((2-chloro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-10-13
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7PZW
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BU of 7pzw by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((5-(phenylethynyl)thiophene-2-carboxamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-10-13
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7Q01
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BU of 7q01 by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-(((1R,2R)-2-(methoxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-10-13
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7PZU
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BU of 7pzu by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((3-fluoro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-10-13
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7PZX
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BU of 7pzx by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-((4-((S)-2-hydroxy-1-methoxyethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-10-13
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published

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