Author results

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
Descriptor:HIV-1 PROTEASE, ACETYL-*PEPSTATIN, CHLORIDE ION
Authors:Fitzgerald, P.M.D., Mckeever, B.M., Vanmiddlesworth, J.F., Springer, J.P.
Deposit date:1990-04-30
Release date:1991-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
2GIU
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HUMAN ESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 45
Descriptor:Estrogen receptor beta, (9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
Authors:Fitzgerald, P.M.D., Sharma, N.
Deposit date:2006-03-29
Release date:2006-10-10
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor:Estrogen receptor, N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-1H-INDOL-3-YL]ACETAMIDE
Authors:Fitzgerald, P.M.D., Sharma, N.
Deposit date:2006-10-10
Release date:2007-10-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor:Estrogen receptor, N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
Authors:Fitzgerald, P.M.D., Sharma, N.
Deposit date:2006-10-10
Release date:2007-10-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Estrogen receptor ligands. Part 16: 2-Aryl indoles as highly subtype selective ligands for ERalpha
Bioorg.Med.Chem.Lett., 17, 2007
2WZX
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AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH COMPOUND M-02
Descriptor:BETA-LACTAMASE, (3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline, CHLORIDE ION
Authors:Fitzgerald, P.M.D., Sharma, N., Lu, J.
Deposit date:2009-12-03
Release date:2010-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor:BETA-LACTAMASE, (3R)-1-[(4R)-AZEPAN-4-YLCARBAMOYL]-3-(SULFOAMINO)-L-PROLINE, CHLORIDE ION
Authors:Fitzgerald, P.M.D., Sharma, N., Lu, J.
Deposit date:2009-12-03
Release date:2010-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.57 Å)
Cite: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
2HVP
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THREE-DIMENSIONAL STRUCTURE OF ASPARTYL PROTEASE FROM HUMAN IMMUNODEFICIENCY VIRUS HIV-1
Descriptor:HIV-1 PROTEASE
Authors:Navia, M.A., Fitzgerald, P.M.D., Mckeever, B.M., Springer, J.P.
Deposit date:1989-04-10
Release date:1989-04-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Three-dimensional structure of aspartyl protease from human immunodeficiency virus HIV-1.
Nature, 337, 1989
1A8T
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METALLO-BETA-LACTAMASE IN COMPLEX WITH L-159,061
Descriptor:METALLO-BETA-LACTAMASE, ZINC ION, 2-BUTYL-6-HYDROXY-3-[2'-(1H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-3H-QUINAZOLIN-4-ONE
Authors:Fitzgerald, P.M.D., Toney, J.H., Grover, N., Vanderwall, D.
Deposit date:1998-03-23
Release date:1998-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Antibiotic sensitization using biphenyl tetrazoles as potent inhibitors of Bacteroides fragilis metallo-beta-lactamase.
Chem.Biol., 5, 1998
1A7T
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METALLO-BETA-LACTAMASE WITH MES
Descriptor:METALLO-BETA-LACTAMASE, ZINC ION, SODIUM ION, ...
Authors:Fitzgerald, P.M.D., Wu, J.K., Toney, J.H.
Deposit date:1998-03-17
Release date:1998-06-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
1JJE
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IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A BIARYL SUCCINIC ACID INHIBITOR (11)
Descriptor:IMP-1 METALLO BETA-LACTAMASE, ZINC ION, ACETATE ION, ...
Authors:Fitzgerald, P.M.D., Sharma, N.
Deposit date:2001-07-04
Release date:2001-07-25
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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)
Descriptor:IMP-1 METALLO BETA-LACTAMASE, ZINC ION, ACETATE ION, ...
Authors:Fitzgerald, P.M.D., Sharma, N.
Deposit date:2001-07-09
Release date:2001-07-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Succinic acids as potent inhibitors of plasmid-borne IMP-1 metallo-beta-lactamase.
J.Biol.Chem., 276, 2001
1XP1
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 15
Descriptor:Estrogen receptor, (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
Authors:Fitzgerald, P.M.D., Sharma, N.
Deposit date:2004-10-07
Release date:2004-12-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor:Estrogen receptor, (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
Authors:Fitzgerald, P.M.D., Sharma, N.
Deposit date:2004-10-08
Release date:2004-12-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor:Estrogen receptor, (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL
Authors:Fitzgerald, P.M.D., Sharma, N.
Deposit date:2004-10-08
Release date:2004-12-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor:Estrogen receptor, (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL
Authors:Fitzgerald, P.M.D., Sharma, N.
Deposit date:2004-10-08
Release date:2004-12-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
3S1Y
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AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA) IN COMPLEX WITH A BETA-LACTAMASE INHIBITOR
Descriptor:Beta-lactamase, [(2S,3R)-1-{[(4S)-1-(2-aminoethyl)azepan-4-yl]carbamoyl}-2-formylpyrrolidin-3-yl]sulfamic acid, CHLORIDE ION, ...
Authors:Scapin, G., Lu, J., Fitzgerald, P.M.D., Sharma, N.
Deposit date:2011-05-16
Release date:2011-06-29
Last modified:2013-06-26
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
3S22
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AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA) IN COMPLEX WITH AN INHIBITOR
Descriptor:Beta-lactamase, [(2S,3R)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid, CHLORIDE ION
Authors:Scapin, G., Lu, J., Fitzgerald, P.M.D., Sharma, N.
Deposit date:2011-05-16
Release date:2011-06-29
Last modified:2013-06-26
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
4NK3
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AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA) IN COMPLEX WITH MK-7655
Descriptor:Beta-lactamase, (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide
Authors:Scapin, G., Lu, J., Fitzgerald, P.M.D., Sharma, N.
Deposit date:2013-11-12
Release date:2014-02-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of MK-7655, a beta-lactamase inhibitor for combination with Primaxin().
Bioorg.Med.Chem.Lett., 24, 2014
4PHV
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X-RAY CRYSTAL STRUCTURE OF THE HIV PROTEASE COMPLEX WITH L-700,417, AN INHIBITOR WITH PSEUDO C2 SYMMETRY
Descriptor:HIV-1 PROTEASE, N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE
Authors:Bone, R.
Deposit date:1991-10-04
Release date:1993-10-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-Ray Crystal Structure of the HIV Protease Complex with L-700,417, an Inhibitor with Pseudo C2 Symmetry
J.Am.Chem.Soc., 113, 1991
1HBS
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REFINED CRYSTAL STRUCTURE OF DEOXYHEMOGLOBIN S. I. RESTRAINED LEAST-SQUARES REFINEMENT AT 3.0-ANGSTROMS RESOLUTION
Descriptor:HEMOGLOBIN S (DEOXY) (ALPHA CHAIN), HEMOGLOBIN S (DEOXY) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Padlan, E.A., Love, W.E.
Deposit date:1982-06-02
Release date:1982-07-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Refined crystal structure of deoxyhemoglobin S. I. Restrained least-squares refinement at 3.0-A resolution.
J.Biol.Chem., 260, 1985
2HBS
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THE HIGH RESOLUTION CRYSTAL STRUCTURE OF DEOXYHEMOGLOBIN S
Descriptor:HEMOGLOBIN S (DEOXY), ALPHA CHAIN, BETA CHAIN, ...
Authors:Harrington, D.J., Adachi, K., Royer Junior, W.E.
Deposit date:1997-05-06
Release date:1997-07-23
Last modified:2017-02-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The high resolution crystal structure of deoxyhemoglobin S.
J.Mol.Biol., 272, 1997
3PHV
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X-RAY ANALYSIS OF HIV-1 PROTEINASE AT 2.7 ANGSTROMS RESOLUTION CONFIRMS STRUCTURAL HOMOLOGY AMONG RETROVIRAL ENZYMES
Descriptor:UNLIGANDED HIV-1 PROTEASE
Authors:Lapatto, R., Blundell, T.L., Hemmings, A., Wilderspin, A., Wood, S.P., Danley, D.E., Geoghegan, K.F., Hawrylik, S.J., Hobart, P.M.
Deposit date:1991-11-04
Release date:1992-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray analysis of HIV-1 proteinase at 2.7 A resolution confirms structural homology among retroviral enzymes.
Nature, 342, 1989