Author results

1C6Z
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ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor:PROTEIN (PROTEASE), (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide
Authors:Munshi, S.
Deposit date:1999-12-28
Release date:2000-12-28
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
1C6X
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ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor:PROTEIN (PROTEASE), N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE
Authors:Munshi, S.
Deposit date:1999-12-28
Release date:2000-12-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
1C6Y
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ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor:PROTEIN (PROTEASE), N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
Authors:Munshi, S.
Deposit date:1999-12-28
Release date:2000-12-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
1C70
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ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor:PROTEIN (PROTEASE), N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)-PHENYLMETHYL-4(S)-HYDROXY-5-[4-[2-BENZOFURANYLMETHYL]-2(S)-[TERT-BUTYLAMINOCARBONYL]-PIPERAZINYL]-PENTANEAMIDE
Authors:Munshi, S.
Deposit date:1999-12-29
Release date:2000-12-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
1M7N
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CRYSTAL STRUCTURE OF UNACTIVATED APO INSULIN-LIKE GROWTH FACTOR-1 RECEPTOR KINASE DOMAIN
Descriptor:Insulin-like growth factor I receptor
Authors:Munshi, S., Kuo, L.
Deposit date:2002-07-22
Release date:2003-01-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the Apo, unactivated insulin-like growth factor-1 receptor kinase. Implication for inhibitor specificity.
J.Biol.Chem., 277, 2002
1P4O
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STRUCTURE OF APO UNACTIVATED IGF-1R KINASE DOMAIN AT 1.5A RESOLUTION.
Descriptor:Insulin-like growth factor I receptor protein
Authors:Munshi, S., Kornienko, M., Hall, D.L., Darke, P.L., Waxman, L., Kuo, L.C.
Deposit date:2003-04-23
Release date:2003-04-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of apo, unactivated insulin-like growth factor-1 receptor kinase at 1.5 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
2BPV
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HIV-1 PROTEASE-INHIBITOR COMPLEX
Descriptor:HIV-1 PROTEASE, 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE
Authors:Munshi, S., Chen, Z.
Deposit date:1998-01-22
Release date:1999-02-23
Last modified:2012-05-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme.
Acta Crystallogr.,Sect.D, 54, 1998
2BPW
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HIV-1 PROTEASE-INHIBITOR COMPLEX
Descriptor:HIV-1 PROTEASE, 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE
Authors:Munshi, S., Chen, Z.
Deposit date:1998-01-22
Release date:1999-02-23
Last modified:2012-05-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme.
Acta Crystallogr.,Sect.D, 54, 1998
2BPX
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HIV-1 PROTEASE-INHIBITOR COMPLEX
Descriptor:HIV-1 PROTEASE, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
Authors:Munshi, S., Chen, Z.
Deposit date:1998-01-22
Release date:1999-02-23
Last modified:2012-05-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme.
Acta Crystallogr.,Sect.D, 54, 1998
2BPY
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HIV-1 PROTEASE-INHIBITOR COMPLEX
Descriptor:HIV-1 PROTEASE, N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE
Authors:Munshi, S., Chen, Z.
Deposit date:1998-01-22
Release date:1999-02-23
Last modified:2012-05-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme.
Acta Crystallogr.,Sect.D, 54, 1998
2BPZ
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HIV-1 PROTEASE-INHIBITOR COMPLEX
Descriptor:HIV-1 PROTEASE, N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE
Authors:Munshi, S., Chen, Z.
Deposit date:1998-01-22
Release date:1999-02-23
Last modified:2012-05-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme.
Acta Crystallogr.,Sect.D, 54, 1998
2IRZ
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CRYSTAL STRUCTURE OF HUMAN BETA-SECRETASE COMPLEXED WITH INHIBITOR
Descriptor:Beta-secretase 1, 3-{5-[(1R)-1-AMINO-1-METHYL-2-PHENYLETHYL]-1,3,4-OXADIAZOL-2-YL}-N-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE
Authors:Munshi, S.
Deposit date:2006-10-16
Release date:2006-11-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of oxadiazoyl tertiary carbinamine inhibitors of beta-secretase (BACE-1).
J.Med.Chem., 49, 2006
2IS0
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CRYSTAL STRUCTURE OF HUMAN BETA-SECRETASE COMPLEXED WITH INHIBITOR
Descriptor:Beta-secretase 1, (2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE
Authors:Munshi, S.
Deposit date:2006-10-16
Release date:2006-11-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of oxadiazoyl tertiary carbinamine inhibitors of beta-secretase (BACE-1).
J.Med.Chem., 49, 2006
2PH6
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CRYSTAL STRUCTURE OF HUMAN BETA SECRETASE COMPLEXED WITH INHIBITOR
Descriptor:Beta-secretase 1, SULFATE ION, 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-METHYL-D-PHENYLALANINATE
Authors:Munshi, S.
Deposit date:2007-04-10
Release date:2007-06-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, synthesis, and SAR of macrocyclic tertiary carbinamine BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
1TQF
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CRYSTAL STRUCTURE OF HUMAN BETA SECRETASE COMPLEXED WITH INHIBITOR
Descriptor:Beta-secretase 1, 3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}-5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE
Authors:Munshi, S., Chen, Z., Kuo, L.
Deposit date:2004-06-17
Release date:2004-11-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of a small molecule nonpeptide active site beta-secretase inhibitor that displays a nontraditional binding mode for aspartyl proteases.
J.Med.Chem., 47, 2004
2QZL
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CRYSTAL STRUCTURE OF HUMAN BETA SECRETASE COMPLEXED WITH IXS
Descriptor:Beta-secretase 1, N-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide
Authors:Munshi, S.
Deposit date:2007-08-16
Release date:2008-04-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:BACE-1 inhibition by a series of psi[CH2NH] reduced amide isosteres
Bioorg.Med.Chem.Lett., 16, 2006
1OHF
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THE REFINED STRUCTURE OF NUDAURELIA CAPENSIS OMEGA VIRUS
Descriptor:NUDAURELIA CAPENSIS OMEGA VIRUS CAPSID PROTEIN, MAGNESIUM ION
Authors:Helgstrand, C., Munshi, S., Johnson, J.E., Liljas, L.
Deposit date:2003-05-26
Release date:2004-02-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Refined Structure of Nudaurelia Capensis Omega Virus Reveals Control Elements for a T = 4 Capsid Maturation
Virology, 318, 2004
1CWP
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STRUCTURES OF THE NATIVE AND SWOLLEN FORMS OF COWPEA CHLOROTIC MOTTLE VIRUS DETERMINED BY X-RAY CRYSTALLOGRAPHY AND CRYO-ELECTRON MICROSCOPY
Descriptor:RNA (5'-R(*AP*UP*AP*U)-3'), RNA (5'-R(*AP*U)-3'), Coat protein
Authors:Speir, J.A., Johnson, J.E., Munshi, S., Wang, G., Timothy, S., Baker, T.S.
Deposit date:1995-05-22
Release date:1995-05-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of the native and swollen forms of cowpea chlorotic mottle virus determined by X-ray crystallography and cryo-electron microscopy.
Structure, 3, 1995
3CUK
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CRYSTAL STRUCTURE OF HUMAN D-AMINO ACID OXIDASE: BOUND TO AN INHIBITOR
Descriptor:D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE, 4H-furo[3,2-b]pyrrole-5-carboxylic acid
Authors:Prasad, S., Munshi, S.
Deposit date:2008-04-16
Release date:2008-07-22
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:The discovery of fused pyrrole carboxylic acids as novel, potent D-amino acid oxidase (DAO) inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
1C6V
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SIV INTEGRASE (CATALYTIC DOMAIN + DNA BIDING DOMAIN COMPRISING RESIDUES 50-293) MUTANT WITH PHE 185 REPLACED BY HIS (F185H)
Descriptor:PROTEIN (SIV INTEGRASE), PROTEIN (SIU89134)
Authors:Chen, Z., Yan, Y., Munshi, S., Li, Y., Zruygay-Murphy, J., Xu, B., Witmer, M., Felock, P., Wolfe, A., Sardana, V., Emini, E.A., Hazuda, D., Kuo, L.C.
Deposit date:1999-12-21
Release date:2000-12-27
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray structure of simian immunodeficiency virus integrase containing the core and C-terminal domain (residues 50-293)--an initial glance of the viral DNA binding platform.
J.Mol.Biol., 296, 2000
1GG4
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CRYSTAL STRUCTURE OF ESCHERICHIA COLI UDPMURNAC-TRIPEPTIDE D-ALANYL-D-ALANINE-ADDING ENZYME (MURF) AT 2.3 ANGSTROM RESOLUTION
Descriptor:UDP-N-ACETYLMURAMOYLALANYL-D-GLUTAMYL-2,6-DIAMINOPIMELATE-D-ALANYL-D-ALANYL LIGASE
Authors:Yan, Y., Munshi, S., Chen, Z.
Deposit date:2000-07-12
Release date:2000-12-20
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Escherichia coli UDPMurNAc-tripeptide d-alanyl-d-alanine-adding enzyme (MurF) at 2.3 A resolution.
J.Mol.Biol., 304, 2000
1JXP
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BK STRAIN HEPATITIS C VIRUS (HCV) NS3-NS4A
Descriptor:NS3 SERINE PROTEASE, NS4A, ZINC ION
Authors:Yan, Y., Munshi, S., Chen, Z.
Deposit date:1997-08-21
Release date:1998-01-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Complex of NS3 protease and NS4A peptide of BK strain hepatitis C virus: a 2.2 A resolution structure in a hexagonal crystal form.
Protein Sci., 7, 1998
1NS3
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STRUCTURE OF HCV PROTEASE (BK STRAIN)
Descriptor:NS3 PROTEASE, NS4A PEPTIDE, ZINC ION
Authors:Yan, Y., Munshi, S., Chen, Z.
Deposit date:1997-04-05
Release date:1998-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Complex of NS3 protease and NS4A peptide of BK strain hepatitis C virus: a 2.2 A resolution structure in a hexagonal crystal form.
Protein Sci., 7, 1998
2BB9
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STRUCTURE OF HIV1 PROTEASE AND AKC4P_133A COMPLEX.
Descriptor:Protease, 2-ETHOXYETHYL (1S,2S)-3-{(2S)-4-[(3AS,8S,8AR)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D][1,3]OXAZOL-8-YL]-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
Authors:Smith III, A.B., Charnley, A.K., Kuo, L.C., Munshi, S.
Deposit date:2005-10-17
Release date:2005-11-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors possessing augmented P2' side chains
Bioorg.Med.Chem.Lett., 16, 2006
2BBB
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STRUCTURE OF HIV1 PROTEASE AND HH1_173_3A COMPLEX.
Descriptor:Protease, (3S)-TETRAHYDROFURAN-3-YL (1R)-3-{(2R)-4-[(1S,3S)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL]-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
Authors:Smith III, A.B., Charnley, A.K., Kuo, L.C., Munshi, S.
Deposit date:2005-10-17
Release date:2005-11-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors possessing augmented P2' side chains
Bioorg.Med.Chem.Lett., 16, 2006
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