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5HVP
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BU of 5hvp by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF A COMPLEX BETWEEN HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE AND ACETYL-PEPSTATIN AT 2.0-ANGSTROMS RESOLUTION
Descriptor: ACETYL-*PEPSTATIN, CHLORIDE ION, HIV-1 PROTEASE
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
1A7T
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METALLO-BETA-LACTAMASE WITH MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, METALLO-BETA-LACTAMASE, 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:2024-02-07
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
1YIN
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BU of 1yin by Molmil
Human estrogen receptor alpha ligand-binding domain in complex with compound 3F
Descriptor: (2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL, Estrogen receptor
Authors:Fitzgerald, P.M, Sharma, N.
Deposit date:2005-01-12
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Estrogen receptor ligands. Part 10: Chromanes: old scaffolds for new SERAMs.
Bioorg.Med.Chem.Lett., 15, 2005
1YIM
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BU of 1yim by Molmil
Human estrogen receptor alpha ligand-binding domain in complex with compound 4
Descriptor: (2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL, Estrogen receptor
Authors:Fitzgerald, P.M, Sharma, N.
Deposit date:2005-01-12
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Estrogen receptor ligands. Part 10: Chromanes: old scaffolds for new SERAMs.
Bioorg.Med.Chem.Lett., 15, 2005
1A8T
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METALLO-BETA-LACTAMASE IN COMPLEX WITH L-159,061
Descriptor: 2-BUTYL-6-HYDROXY-3-[2'-(1H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-3H-QUINAZOLIN-4-ONE, METALLO-BETA-LACTAMASE, ZINC ION
Authors:Fitzgerald, P.M.D, Toney, J.H, Grover, N, Vanderwall, D.
Deposit date:1998-03-23
Release date:1998-10-14
Last modified:2024-05-22
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
1XP1
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 15
Descriptor: (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
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2004-10-07
Release date:2004-12-07
Last modified:2024-02-14
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: (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2004-10-08
Release date:2004-12-07
Last modified:2024-02-14
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
1XP6
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HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 16
Descriptor: (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
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2004-10-08
Release date:2004-12-07
Last modified:2024-02-14
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: (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2004-10-08
Release date:2004-12-07
Last modified:2024-02-14
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
1JJE
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IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A BIARYL SUCCINIC ACID INHIBITOR (11)
Descriptor: 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-BENZYL-SUCCINIC ACID, ACETATE ION, IMP-1 METALLO BETA-LACTAMASE, ...
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2001-07-04
Release date:2001-07-25
Last modified:2024-04-03
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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BU of 1jjt by Molmil
IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A BIARYL SUCCINIC ACID INHIBITOR (1)
Descriptor: 2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-SUCCINIC ACID, ACETATE ION, IMP-1 METALLO BETA-LACTAMASE, ...
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2001-07-09
Release date:2001-07-25
Last modified:2024-04-03
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
2IOG
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BU of 2iog by Molmil
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:2024-02-21
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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BU of 2iok by Molmil
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:2023-08-30
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
2GIU
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BU of 2giu by Molmil
Human estrogen receptor beta ligand-binding domain in complex with compound 45
Descriptor: (9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one, Estrogen receptor beta
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2006-03-29
Release date:2006-10-10
Last modified:2024-04-03
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
2WZX
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BU of 2wzx by Molmil
AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH compound M-02
Descriptor: (3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline, BETA-LACTAMASE, 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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BU of 2wzz by Molmil
AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH compound M-03
Descriptor: (3R)-1-[(4R)-AZEPAN-4-YLCARBAMOYL]-3-(SULFOAMINO)-L-PROLINE, BETA-LACTAMASE, 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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BU of 2hvp by Molmil
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:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Three-dimensional structure of aspartyl protease from human immunodeficiency virus HIV-1.
Nature, 337, 1989
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
Descriptor: (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
Authors: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.
Deposit date:2004-03-02
Release date:2004-04-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Estrogen Receptor Ligands. II. Discovery of Benzoxathiins as Potent, Selective Estrogen Receptor alpha Modulators.
J.Med.Chem., 47, 2004
3PHV
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BU of 3phv by Molmil
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:2024-02-21
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
1UEA
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BU of 1uea by Molmil
MMP-3/TIMP-1 COMPLEX
Descriptor: CALCIUM ION, MATRIX METALLOPROTEINASE-3, TISSUE INHIBITOR OF METALLOPROTEINASE-1, ...
Authors:Bode, W, Maskos, K, Gomis-Rueth, F.-X, Nagase, H.
Deposit date:1997-06-06
Release date:1998-10-14
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanism of inhibition of the human matrix metalloproteinase stromelysin-1 by TIMP-1.
Nature, 389, 1997
1SLM
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CRYSTAL STRUCTURE OF FIBROBLAST STROMELYSIN-1: THE C-TRUNCATED HUMAN PROENZYME
Descriptor: CALCIUM ION, STROMELYSIN-1, ZINC ION
Authors:Becker, J.W.
Deposit date:1995-08-03
Release date:1996-12-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Stromelysin-1: three-dimensional structure of the inhibited catalytic domain and of the C-truncated proenzyme.
Protein Sci., 4, 1995
1SLN
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BU of 1sln by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THE N-CARBOXY-ALKYL INHIBITOR L-702,842
Descriptor: CALCIUM ION, N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE, STROMELYSIN-1, ...
Authors:Becker, J.W.
Deposit date:1995-08-03
Release date:1996-12-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Stromelysin-1: three-dimensional structure of the inhibited catalytic domain and of the C-truncated proenzyme.
Protein Sci., 4, 1995
1HFS
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BU of 1hfs by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THE N-CARBOXY-ALKYL INHIBITOR L-764,004
Descriptor: 6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID, CALCIUM ION, STROMELYSIN-1, ...
Authors:Becker, J.W.
Deposit date:1997-02-13
Release date:1998-02-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of stromelysin-1 (MMP-3) by P1'-biphenylylethyl carboxyalkyl dipeptides.
J.Med.Chem., 40, 1997
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:2024-02-28
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
4NK3
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BU of 4nk3 by Molmil
Amp-c beta-lactamase (pseudomonas aeruginosa) in complex with mk-7655
Descriptor: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
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

 

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