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PDB: 47 件
1JJT
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IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A BIARYL SUCCINIC ACID INHIBITOR (1)
分子名称: 2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-SUCCINIC ACID, ACETATE ION, IMP-1 METALLO BETA-LACTAMASE, ...
著者Fitzgerald, P.M.D, Sharma, N.
登録日2001-07-09
公開日2001-07-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Succinic acids as potent inhibitors of plasmid-borne IMP-1 metallo-beta-lactamase.
J.Biol.Chem., 276, 2001
1JJE
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IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A BIARYL SUCCINIC ACID INHIBITOR (11)
分子名称: 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-BENZYL-SUCCINIC ACID, ACETATE ION, IMP-1 METALLO BETA-LACTAMASE, ...
著者Fitzgerald, P.M.D, Sharma, N.
登録日2001-07-04
公開日2001-07-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Succinic acids as potent inhibitors of plasmid-borne IMP-1 metallo-beta-lactamase.
J.Biol.Chem., 276, 2001
8E10
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BU of 8e10 by Molmil
Structure of mouse polymerase beta
分子名称: DNA polymerase beta, MALONIC ACID
著者Thompson, M.K, Sharma, N, Prakash, A.
登録日2022-08-09
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Pol beta /XRCC1 heterodimerization dictates DNA damage recognition and basal Pol beta protein levels without interfering with mouse viability or fertility.
DNA Repair (Amst), 123, 2023
5Z35
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BU of 5z35 by Molmil
Structure of Y68F mutant metal free periplasmic metal binding protein from candidatus liberibacter asiaticus
分子名称: ACETATE ION, GLYCEROL, Periplasmic solute binding protein, ...
著者Saini, G, Sharma, N, Dalal, V, Kumar, P, Sharma, A.K.
登録日2018-01-05
公開日2018-10-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The analysis of subtle internal communications through mutation studies in periplasmic metal uptake protein CLas-ZnuA2
J. Struct. Biol., 204, 2018
5ZHA
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Structure of Y68F mutant Mn-Bound periplasmic metal binding protein from candidatus liberibacter asiaticus
分子名称: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
著者Saini, G, Sharma, N, Dalal, V, Kumar, P, Sharma, A.K.
登録日2018-03-12
公開日2018-10-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The analysis of subtle internal communications through mutation studies in periplasmic metal uptake protein CLas-ZnuA2
J. Struct. Biol., 204, 2018
5Z2J
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structure of S38A mutant metal-free periplasmic metal binding protein from candidatus liberibacter asiaticus
分子名称: ACETATE ION, GLYCEROL, Periplasmic solute binding protein, ...
著者Saini, G, Sharma, N, Dalal, V, Kumar, P, Sharma, A.K.
登録日2018-01-02
公開日2018-10-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The analysis of subtle internal communications through mutation studies in periplasmic metal uptake protein CLas-ZnuA2
J. Struct. Biol., 204, 2018
5Z2K
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Structure of S38A mutant Mn-bound periplasmic metal binding protein from candidatus liberibacter asiaticus
分子名称: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
著者Saini, G, Sharma, N, Dalal, V, Kumar, P, Sharma, A.K.
登録日2018-01-02
公開日2018-10-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The analysis of subtle internal communications through mutation studies in periplasmic metal uptake protein CLas-ZnuA2
J. Struct. Biol., 204, 2018
3S1Y
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AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA) in complex with a beta-lactamase inhibitor
分子名称: Beta-lactamase, CHLORIDE ION, ISOPROPYL ALCOHOL, ...
著者Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N.
登録日2011-05-16
公開日2011-06-29
最終更新日2013-06-26
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Side chain SAR of bicyclic Beta-lactamase inhibitors (BLIs). 2. N-Alkylated and open chain analogs of MK-8712
Bioorg.Med.Chem.Lett., 21, 2011
2WZZ
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AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH compound M-03
分子名称: (3R)-1-[(4R)-AZEPAN-4-YLCARBAMOYL]-3-(SULFOAMINO)-L-PROLINE, BETA-LACTAMASE, CHLORIDE ION
著者Fitzgerald, P.M.D, Sharma, N, Lu, J.
登録日2009-12-03
公開日2010-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Side Chain Sar of Bicyclic Beta-Lactamase Inhibitors (Blis). 1. Discovery of a Class C Bli for Combination with Imipinem.
Bioorg.Med.Chem.Lett., 20, 2010
2WZX
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AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH compound M-02
分子名称: (3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline, BETA-LACTAMASE, CHLORIDE ION
著者Fitzgerald, P.M.D, Sharma, N, Lu, J.
登録日2009-12-03
公開日2010-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Side Chain Sar of Bicyclic Beta-Lactamase Inhibitors (Blis). 1. Discovery of a Class C Bli for Combination with Imipinem.
Bioorg.Med.Chem.Lett., 20, 2010
1SJ0
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BU of 1sj0 by Molmil
Human Estrogen Receptor Alpha Ligand-binding Domain in Complex with the Antagonist Ligand 4-D
分子名称: (2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3-DIHYDRO-3-(4-HYDROXYPHENYL)BENZO[B][1,4]OXATHIIN-6-OL, Estrogen receptor
著者Kim, S, Wu, J.Y, Birzin, E.T, Chan, W, Pai, L.Y, Yang, Y.T, Mosley, R.T, Fitzgerald, P.M, Sharma, N, DiNinno, F, Rohrer, S.P, Schaeffer, J.M, Hammond, M.L.
登録日2004-03-02
公開日2004-04-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Estrogen Receptor Ligands. II. Discovery of Benzoxathiins as Potent, Selective Estrogen Receptor alpha Modulators.
J.Med.Chem., 47, 2004
2GIU
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Human estrogen receptor beta ligand-binding domain in complex with compound 45
分子名称: (9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one, Estrogen receptor beta
著者Fitzgerald, P.M.D, Sharma, N.
登録日2006-03-29
公開日2006-10-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The discovery of tetrahydrofluorenones as a new class of estrogen receptor beta-subtype selective ligands.
Bioorg.Med.Chem.Lett., 16, 2006
1YIN
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Human estrogen receptor alpha ligand-binding domain in complex with compound 3F
分子名称: (2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL, Estrogen receptor
著者Fitzgerald, P.M, Sharma, N.
登録日2005-01-12
公開日2005-07-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Estrogen receptor ligands. Part 10: Chromanes: old scaffolds for new SERAMs.
Bioorg.Med.Chem.Lett., 15, 2005
1YIM
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Human estrogen receptor alpha ligand-binding domain in complex with compound 4
分子名称: (2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL, Estrogen receptor
著者Fitzgerald, P.M, Sharma, N.
登録日2005-01-12
公開日2005-07-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Estrogen receptor ligands. Part 10: Chromanes: old scaffolds for new SERAMs.
Bioorg.Med.Chem.Lett., 15, 2005
1XP1
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 15
分子名称: (2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL, Estrogen receptor
著者Fitzgerald, P.M.D, Sharma, N.
登録日2004-10-07
公開日2004-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
1XPC
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 19
分子名称: (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor
著者Fitzgerald, P.M.D, Sharma, N.
登録日2004-10-08
公開日2004-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
1XP9
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 18
分子名称: (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor
著者Fitzgerald, P.M.D, Sharma, N.
登録日2004-10-08
公開日2004-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
1XP6
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 16
分子名称: (2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor
著者Fitzgerald, P.M.D, Sharma, N.
登録日2004-10-08
公開日2004-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
4NK3
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Amp-c beta-lactamase (pseudomonas aeruginosa) in complex with mk-7655
分子名称: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N.
登録日2013-11-12
公開日2014-02-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of MK-7655, a beta-lactamase inhibitor for combination with Primaxin().
Bioorg.Med.Chem.Lett., 24, 2014
4I14
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Crystal Structure of Mtb-ribA2 (Rv1415)
分子名称: Riboflavin biosynthesis protein RibBA, SULFATE ION, ZINC ION
著者Singh, M, Kumar, P, Yadav, S, Gautam, R, Sharma, N, Karthikeyan, S.
登録日2012-11-20
公開日2013-08-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The crystal structure reveals the molecular mechanism of bifunctional 3,4-dihydroxy-2-butanone 4-phosphate synthase/GTP cyclohydrolase II (Rv1415) from Mycobacterium tuberculosis
Acta Crystallogr.,Sect.D, 69, 2013
2IOG
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Human estrogen receptor alpha ligand-binding domain in complex with compound 11F
分子名称: Estrogen receptor, N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-1H-INDOL-3-YL]ACETAMIDE
著者Fitzgerald, P.M.D, Sharma, N.
登録日2006-10-10
公開日2007-10-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Estrogen receptor ligands. Part 16: 2-Aryl indoles as highly subtype selective ligands for ERalpha
Bioorg.Med.Chem.Lett., 17, 2007
2IOK
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Human estrogen receptor alpha ligand-binding domain in complex with compound 1D
分子名称: Estrogen receptor, N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
著者Fitzgerald, P.M.D, Sharma, N.
登録日2006-10-10
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Estrogen receptor ligands. Part 16: 2-Aryl indoles as highly subtype selective ligands for ERalpha
Bioorg.Med.Chem.Lett., 17, 2007
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