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7KHM
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BU of 7khm by Molmil
Crystal structure of hDHHS20 bound to palmitoyl CoA
Descriptor: Isoform 4 of Palmitoyltransferase ZDHHC20, PHOSPHATE ION, Palmitoyl-CoA, ...
Authors:Lee, C.-J, Banerjee, A.
Deposit date:2020-10-21
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Bivalent recognition of fatty acyl-CoA by a human integral membrane palmitoyltransferase.
Proc.Natl.Acad.Sci.USA, 119, 2022
4ISA
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BU of 4isa by Molmil
Crystal Structure of the Escherichia coli LpxC/BB-78485 complex
Descriptor: (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide, (4S,5S)-1,2-DITHIANE-4,5-DIOL, FORMIC ACID, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2013-01-16
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
4IS9
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BU of 4is9 by Molmil
Crystal Structure of the Escherichia coli LpxC/L-161,240 complex
Descriptor: (4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide, ISOPROPYL ALCOHOL, SODIUM ION, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2013-01-16
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
5DRO
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BU of 5dro by Molmil
Structure of the Aquifex aeolicus LpxC/LPC-011 Complex
Descriptor: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Lee, C.-J, Najeeb, J, Zhou, P.
Deposit date:2015-09-16
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
5DRR
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BU of 5drr by Molmil
Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-058 complex
Descriptor: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Lee, C.-J, Najeeb, J, Zhou, P.
Deposit date:2015-09-16
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
5DRQ
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BU of 5drq by Molmil
Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-040 complex
Descriptor: N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Lee, C.-J, Najeeb, J, Zhou, P.
Deposit date:2015-09-16
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
4LCG
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BU of 4lcg by Molmil
Crystal structure of the Pseudomonas aeruginosa LPXC/LPC-050 complex
Descriptor: (betaS)-Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N,beta-dihydroxy-L-tyrosinamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2013-06-21
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.568 Å)
Cite:Synthesis, Structure, and Antibiotic Activity of Aryl-Substituted LpxC Inhibitors.
J.Med.Chem., 56, 2013
4LCH
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BU of 4lch by Molmil
Crystal structure of the Pseudomonas aeruginosa LPXC/LPC-051 complex
Descriptor: (betaS)-Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N,beta-dihydroxy-beta-methyl-L-tyrosinamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2013-06-21
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.596 Å)
Cite:Synthesis, Structure, and Antibiotic Activity of Aryl-Substituted LpxC Inhibitors.
J.Med.Chem., 56, 2013
4LCF
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BU of 4lcf by Molmil
Crystal structure of the Pseudomonas aeruginosa LPXC/LPC-014 complex
Descriptor: NITRATE ION, Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-histidinamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2013-06-21
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Synthesis, Structure, and Antibiotic Activity of Aryl-Substituted LpxC Inhibitors.
J.Med.Chem., 56, 2013
4MQY
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BU of 4mqy by Molmil
Crystal Structure of the Escherichia coli LpxC/LPC-138 complex
Descriptor: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ...
Authors:Lee, C.-J, Najeeb, J, Zhou, P.
Deposit date:2013-09-17
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
3P3C
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BU of 3p3c by Molmil
Crystal Structure of the Aquifex aeolicus LpxC/LPC-009 complex
Descriptor: N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, PHOSPHATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2010-10-04
Release date:2011-01-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design.
Chem.Biol., 18, 2011
3P3E
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BU of 3p3e by Molmil
Crystal Structure of the PSEUDOMONAS AERUGINOSA LpxC/LPC-009 complex
Descriptor: N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, NITRATE ION, SODIUM ION, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2010-10-04
Release date:2011-01-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design.
Chem.Biol., 18, 2011
3P3G
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BU of 3p3g by Molmil
Crystal Structure of the Escherichia coli LpxC/LPC-009 complex
Descriptor: 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2010-10-04
Release date:2011-01-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design.
Chem.Biol., 18, 2011
3PS1
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BU of 3ps1 by Molmil
Crystal structure of the Escherichia Coli LPXC/LPC-011 complex
Descriptor: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2010-11-30
Release date:2011-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Syntheses, structures and antibiotic activities of LpxC inhibitors based on the diacetylene scaffold.
Bioorg.Med.Chem., 19, 2011
3PS2
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BU of 3ps2 by Molmil
Crystal structure of the Escherichia Coli LPXC/LPC-012 complex
Descriptor: 4-[4-(3-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2010-11-30
Release date:2011-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Syntheses, structures and antibiotic activities of LpxC inhibitors based on the diacetylene scaffold.
Bioorg.Med.Chem., 19, 2011
3PS3
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BU of 3ps3 by Molmil
Crystal structure of the Escherichia Coli LPXC/LPC-053 complex
Descriptor: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2010-11-30
Release date:2011-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Syntheses, structures and antibiotic activities of LpxC inhibitors based on the diacetylene scaffold.
Bioorg.Med.Chem., 19, 2011
5K8K
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BU of 5k8k by Molmil
Structure of the Haemophilus influenzae LpxH-lipid X complex
Descriptor: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, ACETATE ION, GLYCEROL, ...
Authors:Cho, J, Lee, C.-J, Zhou, P.
Deposit date:2016-05-30
Release date:2016-08-10
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of the essential Haemophilus influenzae UDP-diacylglucosamine pyrophosphohydrolase LpxH in lipid A biosynthesis.
Nat Microbiol, 1, 2016
5U86
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BU of 5u86 by Molmil
Structure of the Aquifex aeolicus LpxC/LPC-069 complex
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide, ...
Authors:Najeeb, J, Lee, C.-J, Zhou, P.
Deposit date:2016-12-13
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Curative Treatment of Severe Gram-Negative Bacterial Infections by a New Class of Antibiotics Targeting LpxC.
MBio, 8, 2017
4FJO
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BU of 4fjo by Molmil
Structure of the Rev1 CTD-Rev3/7-Pol kappa RIR complex
Descriptor: DNA polymerase kappa, DNA polymerase zeta catalytic subunit, DNA repair protein REV1, ...
Authors:Wojtaszek, J, Lee, C.-J, Zhou, P.
Deposit date:2012-06-11
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.718 Å)
Cite:Structural basis of Rev1-mediated assembly of a quaternary vertebrate translesion polymerase complex consisting of Rev1, heterodimeric Pol zeta and Pol kappa
J.Biol.Chem., 287, 2012
6BMN
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BU of 6bmn by Molmil
Structure of human DHHC20 palmitoyltransferase, space group P63
Descriptor: 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, ZINC ION, ...
Authors:Rana, M.S, Lee, C.-J, Banerjee, A.
Deposit date:2017-11-15
Release date:2018-01-24
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Fatty acyl recognition and transfer by an integral membraneS-acyltransferase.
Science, 359, 2018
6BML
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BU of 6bml by Molmil
Structure of human DHHC20 palmitoyltransferase, irreversibly inhibited by 2-bromopalmitate
Descriptor: 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, PALMITIC ACID, PHOSPHATE ION, ...
Authors:Rana, M.S, Lee, C.-J, Banerjee, A.
Deposit date:2017-11-15
Release date:2018-01-24
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Fatty acyl recognition and transfer by an integral membraneS-acyltransferase.
Science, 359, 2018
6BMM
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BU of 6bmm by Molmil
Structure of human DHHC20 palmitoyltransferase, space group P21
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,5S)-hexane-2,5-diol, PHOSPHATE ION, ...
Authors:Rana, M.S, Lee, C.-J, Banerjee, A.
Deposit date:2017-11-15
Release date:2018-01-24
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Fatty acyl recognition and transfer by an integral membraneS-acyltransferase.
Science, 359, 2018
3DZD
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BU of 3dzd by Molmil
Crystal structure of sigma54 activator NTRC4 in the inactive state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, SODIUM ION, Transcriptional regulator (NtrC family)
Authors:Batchelor, J.D, Doucleff, M, Lee, C.-J, Matsubara, K, De Carlo, S, Heideker, J, Lamers, M.M, Pelton, J.G, Wemmer, D.E.
Deposit date:2008-07-29
Release date:2008-11-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and regulatory mechanism of Aquifex aeolicus NtrC4: variability and evolution in bacterial transcriptional regulation.
J.Mol.Biol., 384, 2008
3E7L
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BU of 3e7l by Molmil
Crystal structure of sigma54 activator NtrC4's DNA binding domain
Descriptor: Transcriptional regulator (NtrC family), ZINC ION
Authors:Batchelor, J.D, Doucleff, M, Lee, C.-J, Matsubara, K, De Carlo, S, Heideker, J, Lamers, M.M, Pelton, J.G, Wemmer, D.E.
Deposit date:2008-08-18
Release date:2008-11-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Structure and regulatory mechanism of Aquifex aeolicus NtrC4: variability and evolution in bacterial transcriptional regulation.
J.Mol.Biol., 384, 2008
1QPW
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BU of 1qpw by Molmil
CRYSTAL STRUCTURE DETERMINATION OF PORCINE HEMOGLOBIN AT 1.8A RESOLUTION
Descriptor: OXYGEN MOLECULE, PORCINE HEMOGLOBIN (ALPHA SUBUNIT), PORCINE HEMOGLOBIN (BETA SUBUNIT), ...
Authors:Lu, T.-H, Panneerselvam, K, Liaw, Y.-C, Kan, P, Lee, C.-J.
Deposit date:1999-05-30
Release date:1999-06-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure determination of porcine haemoglobin.
Acta Crystallogr.,Sect.D, 56, 2000

 

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