4OEX
 
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | 分子名称: | 6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Chen, T.T, Ren, J, Xu, Y.C. | | 登録日 | 2014-01-14 | | 公開日 | 2015-04-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.
J.Med.Chem., 57, 2014
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4NAH
 | | Inhibitors of 4-Phosphopanthetheine Adenylyltransferase (PPAT) | | 分子名称: | 2-[(2-{(1S,2S)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethylpyrimidin-4-yl)sulfanyl]-1H-imidazole-5-carboxylic acid, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase | | 著者 | Lahiri, S.D. | | 登録日 | 2013-10-22 | | 公開日 | 2014-03-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Discovery of inhibitors of 4'-phosphopantetheine adenylyltransferase (PPAT) to validate PPAT as a target for antibacterial therapy.
Antimicrob.Agents Chemother., 57, 2013
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4KAV
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4NAT
 | | Inhibitors of 4-Phosphopanthetheine Adenylyltransferase | | 分子名称: | (1R,2R)-N-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Lahiri, S.D. | | 登録日 | 2013-10-22 | | 公開日 | 2014-03-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013
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4NAU
 | | S. aureus CoaD with Inhibitor | | 分子名称: | 2-[2-[(1S,2S)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidine-5-carboxamide, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase | | 著者 | Lahiri, S.D. | | 登録日 | 2013-10-22 | | 公開日 | 2014-03-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013
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4CFP
 | | Crystal structure of MltC in complex with tetrasaccharide at 2.15 A resolution | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, CITRIC ACID, HEXAETHYLENE GLYCOL, ... | | 著者 | Bernardo-Garcia, N, Artola-Recolons, C, Hermoso, J.A. | | 登録日 | 2013-11-19 | | 公開日 | 2014-07-23 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure and Cell Wall Cleavage by Modular Lytic Transglycosylase Mltc of Escherichia Coli.
Acs Chem.Biol., 9, 2014
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7U2P
 | | Structure of TcdA GTD in complex with RhoA | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Glucosyltransferase TcdA, MAGNESIUM ION, ... | | 著者 | Baohua, C, Zheng, L, Kay, P, Rongsheng, J. | | 登録日 | 2022-02-24 | | 公開日 | 2022-05-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.596 Å) | | 主引用文献 | Structure of the glucosyltransferase domain of TcdA in complex with RhoA provides insights into substrate recognition.
Sci Rep, 12, 2022
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1Z7I
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7UBX
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4IJM
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3H42
 | | Crystal structure of PCSK9 in complex with Fab from LDLR competitive antibody | | 分子名称: | Fab from LDLR competitive antibody: Heavy chain, Fab from LDLR competitive antibody: Light chain, Proprotein convertase subtilisin/kexin type 9, ... | | 著者 | Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T, Tsai, M.M, Yang, E. | | 登録日 | 2009-04-17 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | From the Cover: A proprotein convertase subtilisin/kexin type 9 neutralizing antibody reduces serum cholesterol in mice and nonhuman primates.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3SHZ
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | 分子名称: | 5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Chen, T.T, Chen, T, Xu, Y.C. | | 登録日 | 2011-06-17 | | 公開日 | 2011-08-24 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.449 Å) | | 主引用文献 | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
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3SHY
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | 分子名称: | 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Chen, T.T, Chen, T, Xu, Y.C. | | 登録日 | 2011-06-17 | | 公開日 | 2011-08-24 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.647 Å) | | 主引用文献 | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
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4OKG
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4CJN
 | | Crystal structure of PBP2a from MRSA in complex with quinazolinone ligand | | 分子名称: | (E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid, CADMIUM ION, CHLORIDE ION, ... | | 著者 | Bouley, R, Otero, L.H, Rojas-Altuve, A, Hermoso, J.A. | | 登録日 | 2013-12-21 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.947 Å) | | 主引用文献 | Discovery of Antibiotic (E)-3-(3-Carboxyphenyl)-2-(4-Cyanostyryl)Quinazolin-4(3H)-One.
J.Am.Chem.Soc., 137, 2015
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3SIE
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4I97
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2V59
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4J3D
 | | Pseudomonas aeruginosa LpxC in complex with a hydroxamate inhibitor | | 分子名称: | N~1~-hydroxy-N~5~-(3-hydroxypropyl)-N~2~-[4-(phenylethynyl)benzoyl]-L-glutamamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Lahiri, S. | | 登録日 | 2013-02-05 | | 公開日 | 2013-04-03 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Exploring the UDP pocket of LpxC through amino acid analogs.
Bioorg.Med.Chem.Lett., 23, 2013
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2V58
 | | CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 1 | | 分子名称: | 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION | | 著者 | Mochalkin, I, Miller, J.R. | | 登録日 | 2008-10-02 | | 公開日 | 2009-01-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2V5A
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2DRC
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2WQY
 | | Remodelling of carboxin binding to the Q-site of avian respiratory complex II | | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, AZIDE ION, ... | | 著者 | Ruprecht, J, Iwata, S, Cecchini, G. | | 登録日 | 2009-08-27 | | 公開日 | 2010-08-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Remodelling of Carboxin Binding to the Q-Site of Avian Respiratory Complex II
To be Published
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3J42
 | | Obstruction of Dengue Virus Maturation by Fab Fragments of the 2H2 Antibody | | 分子名称: | Envelope protein E, Ig heavy chain V region MOPC 21, Igh protein chimera, ... | | 著者 | Wang, Z, Pennington, J.G, Jiang, W, Rossmann, M.G. | | 登録日 | 2013-06-13 | | 公開日 | 2013-07-17 | | 最終更新日 | 2018-07-18 | | 実験手法 | ELECTRON MICROSCOPY (21 Å) | | 主引用文献 | Obstruction of Dengue Virus Maturation by Fab Fragments of the 2H2 Antibody.
J.Virol., 87, 2013
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4CFO
 | | Structure of Lytic Transglycosylase MltC from Escherichia coli in complex with tetrasaccharide at 2.9 A resolution. | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranoside, MLTC | | 著者 | Artola-Recolons, C, Bernardo-Garcia, N, Mobashery, S, Hermoso, J.A. | | 登録日 | 2013-11-19 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure and Cell Wall Cleavage by Modular Lytic Transglycosylase Mltc of Escherichia Coli.
Acs Chem.Biol., 9, 2014
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