6C59
 
 | | Chimeric Pol kappa RIR Rev1 C-terminal domain | | Descriptor: | ACETATE ION, Chimeric Pol kappa RIR Rev1 C-terminal domain | | Authors: | Wojtaszek, J.L, Zhou, P. | | Deposit date: | 2018-01-15 | | Release date: | 2019-06-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy.
Cell, 178, 2019
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1NFA
 | | HUMAN TRANSCRIPTION FACTOR NFATC DNA BINDING DOMAIN, NMR, 10 STRUCTURES | | Descriptor: | HUMAN TRANSCRIPTION FACTOR NFATC1 | | Authors: | Wolfe, S.A, Zhou, P, Dotsch, V, Chen, L, You, A, Ho, S.N, Crabtree, G.R, Wagner, G, Verdine, G.L. | | Deposit date: | 1997-01-18 | | Release date: | 1997-04-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Unusual Rel-like architecture in the DNA-binding domain of the transcription factor NFATc.
Nature, 385, 1997
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2MRM
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6XQV
 | | Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae in a pre-acylation complex with ceftriaxone | | Descriptor: | CHLORIDE ION, Ceftriaxone, Probable peptidoglycan D,D-transpeptidase PenA, ... | | Authors: | Fenton, B.A, Zhou, P, Davies, C. | | Deposit date: | 2020-07-10 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
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6XQZ
 | | Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae at pH 7.5 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Peptidoglycan D,D-transpeptidase PenA, ... | | Authors: | Fenton, B.A, Zhou, P, Davies, C. | | Deposit date: | 2020-07-10 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
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6XQY
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6XQX
 | | Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae with the H514A mutation at pH 7.5 | | Descriptor: | 1,2-ETHANEDIOL, Probable peptidoglycan D,D-transpeptidase PenA, SULFATE ION | | Authors: | Fenton, B.A, Zhou, P, Davies, C. | | Deposit date: | 2020-07-10 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
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3P3E
 | | 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
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3P3G
 | | 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
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3PS1
 | | 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
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3PS2
 | | 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
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3PS3
 | | 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
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3P3C
 | | 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
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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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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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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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4IS9
 | | 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
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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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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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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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3QC1
 | | Protein Phosphatase Subunit: Alpha4 | | Descriptor: | Immunoglobulin-binding protein 1 | | Authors: | Spiller, B.W, LeNoue-Newton, M.L, Watkins, G.R, Germane, K.L, Zhou, P, McCorvey, L.R, Wadzinski, B.E. | | Deposit date: | 2011-01-14 | | Release date: | 2011-03-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The Mid1 and PP2Ac binding domains of Alpha4 are both required for Alpha4 to inhibit PP2Ac degradation
TO BE PUBLISHED
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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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2UWP
 | | Factor Xa inhibitor complex | | Descriptor: | 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X, ... | | Authors: | Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P, Thorpe, J.H. | | Deposit date: | 2007-03-22 | | Release date: | 2007-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa.
Bioorg.Med.Chem.Lett., 17, 2007
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