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PDB: 18 件
5HVP
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CRYSTALLOGRAPHIC ANALYSIS OF A COMPLEX BETWEEN HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE AND ACETYL-PEPSTATIN AT 2.0-ANGSTROMS RESOLUTION
分子名称: ACETYL-*PEPSTATIN, CHLORIDE ION, HIV-1 PROTEASE
著者Fitzgerald, P.M.D, Mckeever, B.M, Vanmiddlesworth, J.F, Springer, J.P.
登録日1990-04-30
公開日1991-10-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic analysis of a complex between human immunodeficiency virus type 1 protease and acetyl-pepstatin at 2.0-A resolution.
J.Biol.Chem., 265, 1990
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
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2024-10-16
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
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2024-10-23
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
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
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
1A8T
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METALLO-BETA-LACTAMASE IN COMPLEX WITH L-159,061
分子名称: 2-BUTYL-6-HYDROXY-3-[2'-(1H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-3H-QUINAZOLIN-4-ONE, METALLO-BETA-LACTAMASE, ZINC ION
著者Fitzgerald, P.M.D, Toney, J.H, Grover, N, Vanderwall, D.
登録日1998-03-23
公開日1998-10-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Antibiotic sensitization using biphenyl tetrazoles as potent inhibitors of Bacteroides fragilis metallo-beta-lactamase.
Chem.Biol., 5, 1998
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
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
1A7T
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METALLO-BETA-LACTAMASE WITH MES
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, METALLO-BETA-LACTAMASE, SODIUM ION, ...
著者Fitzgerald, P.M.D, Wu, J.K, Toney, J.H.
登録日1998-03-17
公開日1998-06-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Unanticipated inhibition of the metallo-beta-lactamase from Bacteroides fragilis by 4-morpholineethanesulfonic acid (MES): a crystallographic study at 1.85-A resolution.
Biochemistry, 37, 1998
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
2HVP
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THREE-DIMENSIONAL STRUCTURE OF ASPARTYL PROTEASE FROM HUMAN IMMUNODEFICIENCY VIRUS HIV-1
分子名称: HIV-1 PROTEASE
著者Navia, M.A, Fitzgerald, P.M.D, Mckeever, B.M, Springer, J.P.
登録日1989-04-10
公開日1989-04-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Three-dimensional structure of aspartyl protease from human immunodeficiency virus HIV-1.
Nature, 337, 1989
3S22
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AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA) in complex with an inhibitor
分子名称: Beta-lactamase, CHLORIDE ION, [(2S,3R)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid
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2024-10-30
実験手法X-RAY DIFFRACTION (1.65 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
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2024-10-30
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

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