1U8B
 
 | | Crystal structure of the methylated N-ADA/DNA complex | | 分子名称: | 5'-D(*AP*AP*TP*CP*TP*TP*GP*CP*GP*CP*TP*TP*T)-3', 5'-D(*TP*AP*AP*AP*TP*T)-3', 5'-D(P*AP*AP*AP*GP*CP*GP*CP*AP*AP*GP*AP*T)-3', ... | | 著者 | He, C, Hus, J.-C, Sun, L.J, Zhou, P, Norman, D.P.G, Dotsch, V, Gross, J.D, Lane, W.S, Wagner, G, Verdine, G.L. | | 登録日 | 2004-08-05 | | 公開日 | 2005-10-11 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A methylation-dependent electrostatic switch controls DNA repair and transcriptional activation by E. coli ada.
Mol.Cell, 20, 2005
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2VH0
 | | Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs | | 分子名称: | 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, ... | | 著者 | 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. | | 登録日 | 2007-11-16 | | 公開日 | 2008-11-25 | | 最終更新日 | 2019-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 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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6EBU
 | | Crystal structure of Aquifex aeolicus LpxE | | 分子名称: | LpxE, SULFATE ION, octyl beta-D-glucopyranoside | | 著者 | Wu, Q, Wang, S, Zhou, P. | | 登録日 | 2018-08-07 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.372 Å) | | 主引用文献 | The Lipid A 1-Phosphatase, LpxE, Functionally Connects Multiple Layers of Bacterial Envelope Biogenesis.
Mbio, 10, 2019
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6PJ3
 | | Crystal structure of the Klebsiella pneumoniae LpxH/JH-LPH-33 complex | | 分子名称: | 1,2-ETHANEDIOL, 1-[5-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one, MANGANESE (II) ION, ... | | 著者 | Cho, J, Zhou, P. | | 登録日 | 2019-06-27 | | 公開日 | 2020-02-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6PH9
 | | Crystal Structure of the Klebsiella pneumoniae LpxH-lipid X complex | | 分子名称: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 1,2-ETHANEDIOL, CALCIUM ION, ... | | 著者 | Cho, J, Zhou, P. | | 登録日 | 2019-06-25 | | 公開日 | 2020-02-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6PIB
 | | Structure of the Klebsiella pneumoniae LpxH-AZ1 complex | | 分子名称: | 1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one, MANGANESE (II) ION, TETRAETHYLENE GLYCOL, ... | | 著者 | Cho, J, Zhou, P. | | 登録日 | 2019-06-26 | | 公開日 | 2020-02-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6XQV
 | | Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae in a pre-acylation complex with ceftriaxone | | 分子名称: | CHLORIDE ION, Ceftriaxone, Probable peptidoglycan D,D-transpeptidase PenA, ... | | 著者 | Fenton, B.A, Zhou, P, Davies, C. | | 登録日 | 2020-07-10 | | 公開日 | 2021-07-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | 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 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Peptidoglycan D,D-transpeptidase PenA, ... | | 著者 | Fenton, B.A, Zhou, P, Davies, C. | | 登録日 | 2020-07-10 | | 公開日 | 2021-07-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | 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 | | 分子名称: | 1,2-ETHANEDIOL, Probable peptidoglycan D,D-transpeptidase PenA, SULFATE ION | | 著者 | Fenton, B.A, Zhou, P, Davies, C. | | 登録日 | 2020-07-10 | | 公開日 | 2021-07-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | 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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5DUP
 | | Influenza A virus H5 hemagglutinin globular head in complex with antibody AVFluIgG03 | | 分子名称: | AVFluIgG03 Heavy Chain, AVFluIgG03 Light Chain, Hemagglutinin | | 著者 | Zuo, T, Sun, J, Wang, G, Zhou, P, Wang, X, Zhang, L. | | 登録日 | 2015-09-20 | | 公開日 | 2015-12-16 | | 実験手法 | X-RAY DIFFRACTION (3.052 Å) | | 主引用文献 | 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 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | | 著者 | Zuo, T, Sun, J, Wang, G, Zhou, P, Wang, X, Zhang, L. | | 登録日 | 2015-09-20 | | 公開日 | 2015-12-16 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 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 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Antibody 100F4, Hemagglutinin, ... | | 著者 | Zuo, T, Sun, J, Wang, G, Zhou, P, Wang, X, Zhang, L. | | 登録日 | 2015-09-20 | | 公開日 | 2015-12-16 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | | 主引用文献 | 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 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 65C6 Heavy Chain, 65C6 Light Chain, ... | | 著者 | Sun, J, Zuo, T, Wang, G, Zhou, P, Zhang, L, Wang, X. | | 登録日 | 2015-09-19 | | 公開日 | 2015-12-16 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.003 Å) | | 主引用文献 | Comprehensive analysis of antibody recognition in convalescent humans from highly pathogenic avian influenza H5N1 infection
Nat Commun, 6, 2015
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6WII
 | | Crystal structure of the K. pneumoniae LpxH/JH-LPH-41 complex | | 分子名称: | 5-({[4-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)phenyl]carbamoyl}amino)-N-hydroxypentanamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Cochrane, C.S, Cho, J, Fenton, B.A, Zhou, P. | | 登録日 | 2020-04-09 | | 公開日 | 2020-07-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Synthesis and evaluation of sulfonyl piperazine LpxH inhibitors.
Bioorg.Chem., 102, 2020
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6NE8
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5DRO
 | | Structure of the Aquifex aeolicus LpxC/LPC-011 Complex | | 分子名称: | 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, ... | | 著者 | Lee, C.-J, Najeeb, J, Zhou, P. | | 登録日 | 2015-09-16 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
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5DRP
 | | Structure of the AaLpxC/LPC-023 Complex | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, N~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-isoleucinamide, ... | | 著者 | Najeeb, J, Lee, C.-J, Zhou, P. | | 登録日 | 2015-09-16 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.889 Å) | | 主引用文献 | Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
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5DRR
 | | Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-058 complex | | 分子名称: | 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, ... | | 著者 | Lee, C.-J, Najeeb, J, Zhou, P. | | 登録日 | 2015-09-16 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
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5DRQ
 | | Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-040 complex | | 分子名称: | 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, ... | | 著者 | Lee, C.-J, Najeeb, J, Zhou, P. | | 登録日 | 2015-09-16 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
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6AZR
 | | Crystal structure of the T264A HK853cp-BeF3-RR468 complex | | 分子名称: | Chemotaxis regulator-transmits chemoreceptor signals to flagelllar motor components CheY, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Rose, J, Zhou, P. | | 登録日 | 2017-09-11 | | 公開日 | 2017-12-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.628 Å) | | 主引用文献 | A pH-gated conformational switch regulates the phosphatase activity of bifunctional HisKA-family histidine kinases.
Nat Commun, 8, 2017
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2J94
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | 分子名称: | 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X | | 著者 | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | | 登録日 | 2006-11-02 | | 公開日 | 2007-03-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50, 2007
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6C8C
 | | Chimeric Pol kappa RIR Rev1 C-terminal domain in complex with JHRE06 | | 分子名称: | 8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1H)-one, Chimeric protein of the Pol Kappa RIR helix and the Rev1 C-terminal domain | | 著者 | Najeeb, J, Zhou, P. | | 登録日 | 2018-01-24 | | 公開日 | 2019-06-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy.
Cell, 178, 2019
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6C59
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8E4A
 | | Pseudomonas LpxC in complex with LPC-233 | | 分子名称: | 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 | | 著者 | Najeeb, J, Zhou, P. | | 登録日 | 2022-08-17 | | 公開日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.034 Å) | | 主引用文献 | Preclinical safety and efficacy characterization of an LpxC inhibitor against Gram-negative pathogens.
Sci Transl Med, 15, 2023
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