2VH0
 
 | | Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs | | Descriptor: | 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | | Authors: | Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Convery, M.A, Diallo, H, Hortense, E, Irving, W.R, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Zhou, P. | | Deposit date: | 2007-11-16 | | Release date: | 2008-11-25 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs.
Bioorg. Med. Chem. Lett., 18, 2008
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4ITL
 | | Crystal structure of LpxK from Aquifex aeolicus in complex with AMP-PCP at 2.1 angstrom resolution | | Descriptor: | GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Tetraacyldisaccharide 4'-kinase | | Authors: | Emptage, R.P, Pemble IV, C.W, York, J.D, Raetz, C.R.H, Zhou, P. | | Deposit date: | 2013-01-18 | | Release date: | 2013-04-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Mechanistic Characterization of the Tetraacyldisaccharide-1-phosphate 4'-Kinase LpxK Involved in Lipid A Biosynthesis.
Biochemistry, 52, 2013
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5VXA
 | | Structure of the human Mesh1-NADPH complex | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | | Authors: | Rose, J, Zhou, P. | | Deposit date: | 2017-05-23 | | Release date: | 2018-05-23 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | MESH1 is a cytosolic NADPH phosphatase that regulates ferroptosis.
Nat Metab, 2, 2020
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4ITN
 | | Crystal structure of "compact P-loop" LpxK from Aquifex aeolicus in complex with chloride at 2.2 angstrom resolution | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | | Authors: | Emptage, R.P, Pemble IV, C.W, York, J.D, Raetz, C.R.H, Zhou, P. | | Deposit date: | 2013-01-18 | | Release date: | 2013-04-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1912 Å) | | Cite: | Mechanistic Characterization of the Tetraacyldisaccharide-1-phosphate 4'-Kinase LpxK Involved in Lipid A Biosynthesis.
Biochemistry, 52, 2013
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4ITM
 | | Crystal structure of "apo" form LpxK from Aquifex aeolicus in complex with ATP at 2.2 angstrom resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Emptage, R.P, Pemble IV, C.W, York, J.D, Raetz, C.R.H, Zhou, P. | | Deposit date: | 2013-01-18 | | Release date: | 2013-04-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1994 Å) | | Cite: | Mechanistic Characterization of the Tetraacyldisaccharide-1-phosphate 4'-Kinase LpxK Involved in Lipid A Biosynthesis.
Biochemistry, 52, 2013
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8E4A
 | | Pseudomonas LpxC in complex with LPC-233 | | Descriptor: | 4-(4-cyclopropylbuta-1,3-diyn-1-yl)-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Najeeb, J, Zhou, P. | | Deposit date: | 2022-08-17 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.034 Å) | | Cite: | Preclinical safety and efficacy characterization of an LpxC inhibitor against Gram-negative pathogens.
Sci Transl Med, 15, 2023
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4LKV
 | | Determinants of lipid substrate and membrane binding for the tetraacyldisaccharide-1-phosphate 4 -kinase LpxK | | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Emptage, R.P, Tonthat, N.K, York, J.D, Schumacher, M.A, Zhou, P. | | Deposit date: | 2013-07-08 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.5109 Å) | | Cite: | Structural Basis of Lipid Binding for the Membrane-embedded Tetraacyldisaccharide-1-phosphate 4'-Kinase LpxK.
J.Biol.Chem., 289, 2014
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4ISA
 | | 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
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5DUP
 | | Influenza A virus H5 hemagglutinin globular head in complex with antibody AVFluIgG03 | | Descriptor: | AVFluIgG03 Heavy Chain, AVFluIgG03 Light Chain, Hemagglutinin | | Authors: | Zuo, T, Sun, J, Wang, G, Zhou, P, Wang, X, Zhang, L. | | Deposit date: | 2015-09-20 | | Release date: | 2015-12-16 | | Method: | X-RAY DIFFRACTION (3.052 Å) | | Cite: | Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
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5DUT
 | | Influenza A virus H5 hemagglutinin globular head | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | | Authors: | Zuo, T, Sun, J, Wang, G, Zhou, P, Wang, X, Zhang, L. | | Deposit date: | 2015-09-20 | | Release date: | 2015-12-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
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5DUM
 | | Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody 65C6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 65C6 Heavy Chain, 65C6 Light Chain, ... | | Authors: | Sun, J, Zuo, T, Wang, G, Zhou, P, Zhang, L, Wang, X. | | Deposit date: | 2015-09-19 | | Release date: | 2015-12-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.003 Å) | | Cite: | Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
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5DUR
 | | Influenza A virus H5 hemagglutinin globular head in complex with antibody 100F4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Antibody 100F4, Hemagglutinin, ... | | Authors: | Zuo, T, Sun, J, Wang, G, Zhou, P, Wang, X, Zhang, L. | | Deposit date: | 2015-09-20 | | Release date: | 2015-12-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
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8GAJ
 | | Crystal Structure of E. coli LptA in complex with Podisus maculiventris Thanatin | | Descriptor: | Lipopolysaccharide export system protein LptA, Thanatin | | Authors: | Huynh, K, Kibrom, A, Donald, B, Zhou, P. | | Deposit date: | 2023-02-23 | | Release date: | 2023-07-19 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discovery, characterization, and redesign of potent antimicrobial thanatin orthologs from Chinavia ubica and Murgantia histrionica targeting E. coli LptA.
J Struct Biol X, 8, 2023
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8GAL
 | | Crystal Structure of the E. coli LptA in complex with Murgantia histrionica Thanatin | | Descriptor: | Lipopolysaccharide export system protein LptA, Thanatin | | Authors: | Kibrom, A, Huynh, K, Donald, B, Zhou, P. | | Deposit date: | 2023-02-23 | | Release date: | 2023-07-19 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery, characterization, and redesign of potent antimicrobial thanatin orthologs from Chinavia ubica and Murgantia histrionica targeting E. coli LptA.
J Struct Biol X, 8, 2023
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8GAK
 | | Crystal Structure of E. coli LptA in complex with Chinavia Ubica Thanatin | | Descriptor: | Lipopolysaccharide export system protein LptA, Thanatin | | Authors: | Huynh, K, Kibrom, A, Donald, B, Zhou, P. | | Deposit date: | 2023-02-23 | | Release date: | 2023-07-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery, characterization, and redesign of potent antimicrobial thanatin orthologs from Chinavia ubica and Murgantia histrionica targeting E. coli LptA.
J Struct Biol X, 8, 2023
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4LCH
 | | 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
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4LCF
 | | 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
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4LCG
 | | 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
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5DRR
 | | 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
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3P9Y
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5DRQ
 | | 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
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4K35
 | | The structure of a glycoside hydrolase family 81 endo-[beta]-1,3-glucanase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, glycoside hydrolase family 81 endo-beta-1,3-glucanase | | Authors: | Jiang, Z.Q, Zhou, P, Chen, Z.Z, Yan, Q.J, Yang, S.Q, Hilgenfeld, R. | | Deposit date: | 2013-04-10 | | Release date: | 2013-10-02 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | The structure of a glycoside hydrolase family 81
endo-[beta]-1,3-glucanase
Acta Crystallogr.,Sect.D, 69, 2013
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4K3A
 | | The structure of a glycoside hydrolase family 81 endo-[beta]-1,3-glucanase | | Descriptor: | SULFATE ION, glycoside hydrolase family 81 endo-beta-1,3-glucanase | | Authors: | Jiang, Z.Q, Zhou, P, Chen, Z.Z, Yan, Q.J, Yang, S.Q, Hilgenfeld, R. | | Deposit date: | 2013-04-10 | | Release date: | 2013-10-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of a glycoside hydrolase family 81
endo-[beta]-1,3-glucanase
Acta Crystallogr.,Sect.D, 69, 2013
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4J72
 | | Crystal Structure of polyprenyl-phosphate N-acetyl hexosamine 1-phosphate transferase | | Descriptor: | MAGNESIUM ION, NICKEL (II) ION, Phospho-N-acetylmuramoyl-pentapeptide-transferase | | Authors: | Lee, S.Y, Chung, B.C, Gillespie, R.A, Kwon, D.Y, Guan, Z, Zhou, P, Hong, J. | | Deposit date: | 2013-02-12 | | Release date: | 2013-09-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of MraY, an essential membrane enzyme for bacterial cell wall synthesis.
Science, 341, 2013
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4LYR
 | | Glycoside Hydrolase Family 5 Mannosidase from Rhizomucor miehei, E301A mutant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Exo-beta-1,4-mannosidase | | Authors: | Jiang, Z.Q, Zhou, P, Yang, S.Q, Liu, Y, Yan, Q.J. | | Deposit date: | 2013-07-31 | | Release date: | 2014-08-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into the substrate specificity and transglycosylation activity of a fungal glycoside hydrolase family 5 beta-mannosidase.
Acta Crystallogr.,Sect.D, 70, 2014
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