Author results

1BXO
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ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUT YL] HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL) PHENYLPROPANOATE
Descriptor:PROTEIN (PENICILLOPEPSIN), ALPHA-D-MANNOSE, SULFATE ION, ...
Authors:Khan, A.R., Parrish, J.C., Fraser, M.E., Smith, W.W., Bartlett, P.A., James, M.N.G.
Deposit date:1998-10-07
Release date:1998-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Lowering the entropic barrier for binding conformationally flexible inhibitors to enzymes.
Biochemistry, 37, 1998
2WEA
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ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL[CYCLO-7[(2R)-((N-VALYL) AMINO)-2-(HYDROXYL-(1S)-1-METHYOXYCARBONYL-2-PHENYLETHOXY) PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE], SODIUM SALT
Descriptor:PENICILLOPEPSIN, ALPHA-D-MANNOSE, SULFATE ION, ...
Authors:Ding, J., Fraser, M.E., James, M.N.G.
Deposit date:1998-02-03
Release date:1998-05-27
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Macrocyclic Inhibitors of Penicillopepsin. II. X-Ray Crystallographic Analyses of Penicillopepsin Complexed with a P3-P1 Macrocyclic Peptidyl Inhibitor and with its Two Acyclic Analogues
J.Am.Chem.Soc., 120, 1998
1BXQ
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ACID PROTEINASE (PENICILLOPEPSIN) COMPLEX WITH PHOSPHONATE INHIBITOR.
Descriptor:PROTEIN (PENICILLOPEPSIN), ALPHA-D-MANNOSE, SULFATE ION, ...
Authors:Parrish, J.C., Khan, A.R., Fraser, M.E., Smith, W.W., Bartlett, P.A., James, M.N.G.
Deposit date:1998-10-07
Release date:1998-10-14
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Lowering the entropic barrier for binding conformationally flexible inhibitors to enzymes.
Biochemistry, 37, 1998
2WEB
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ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL(2S)-[1-(((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOATE, SODIUM SALT
Descriptor:PENICILLOPEPSIN, ALPHA-D-MANNOSE, SULFATE ION, ...
Authors:Ding, J., Fraser, M.E., James, M.N.G.
Deposit date:1998-02-03
Release date:1998-05-27
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Macrocyclic Inhibitors of Penicillopepsin. II. X-Ray Crystallographic Analyses of Penicillopepsin Complexed with a P3-P1 Macrocyclic Peptidyl Inhibitor and with its Two Acyclic Analogues
J.Am.Chem.Soc., 120, 1998
2WEC
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ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL(2S)-[1-(((N-(1-NAPHTHALENEACETYL))-L-VALYL)AMINOMETHYL)HYDROXY PHOSPHINYLOXY]-3-PHENYLPROPANOATE, SODIUM SALT
Descriptor:PENICILLOPEPSIN, ALPHA-D-MANNOSE, SULFATE ION, ...
Authors:Ding, J., Fraser, M.E., James, M.N.G.
Deposit date:1998-02-03
Release date:1998-05-27
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Macrocyclic Inhibitors of Penicillopepsin. II. X-Ray Crystallographic Analyses of Penicillopepsin Complexed with a P3-P1 Macrocyclic Peptidyl Inhibitor and with its Two Acyclic Analogues
J.Am.Chem.Soc., 120, 1998
2WED
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ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE MACROCYCLIC INHIBITOR:METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE], SODIUM SALT
Descriptor:PENICILLOPEPSIN, ALPHA-D-MANNOSE, SULFATE ION, ...
Authors:Ding, J., Fraser, M.E., James, M.N.G.
Deposit date:1998-02-03
Release date:1998-05-27
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Macrocyclic Inhibitors of Penicillopepsin. II. X-Ray Crystallographic Analyses of Penicillopepsin Complexed with a P3-P1 Macrocyclic Peptidyl Inhibitor and with its Two Acyclic Analogues
J.Am.Chem.Soc., 120, 1998
1OOY
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SUCCINYL-COA:3-KETOACID COA TRANSFERASE FROM PIG HEART
Descriptor:Succinyl-CoA:3-ketoacid-coenzyme A transferase, mitochondrial precursor, POTASSIUM ION, ...
Authors:Coros, A.M., Swenson, L., Wolodko, W.T., Fraser, M.E.
Deposit date:2003-03-04
Release date:2004-04-27
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the CoA transferase from pig heart to 1.7 A resolution.
Acta Crystallogr.,Sect.D, 60, 2004
1PPL
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CRYSTALLOGRAPHIC ANALYSIS OF TRANSITION-STATE MIMICS BOUND TO PENICILLOPEPSIN: PHOSPHORUS-CONTAINING PEPTIDE ANALOGUES
Descriptor:PENICILLOPEPSIN, N-(3-methylbutanoyl)-L-valyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-L-valinamide, ALPHA-D-MANNOSE, ...
Authors:Fraser, M.E., James, M.N.G.
Deposit date:1992-06-01
Release date:1993-10-31
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic analysis of transition-state mimics bound to penicillopepsin: phosphorus-containing peptide analogues.
Biochemistry, 31, 1992
1PPM
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CRYSTALLOGRAPHIC ANALYSIS OF TRANSITION-STATE MIMICS BOUND TO PENICILLOPEPSIN: PHOSPHORUS-CONTAINING PEPTIDE ANALOGUES
Descriptor:PENICILLOPEPSIN, N-[(benzyloxy)carbonyl]-L-alanyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-L-alaninamide, ALPHA-D-MANNOSE, ...
Authors:Fraser, M.E., James, M.N.G.
Deposit date:1992-06-01
Release date:1993-10-31
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic analysis of transition-state mimics bound to penicillopepsin: phosphorus-containing peptide analogues.
Biochemistry, 31, 1992
5TDE
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TEV CLEAVED HUMAN ATP CITRATE LYASE BOUND TO CITRATE
Descriptor:ATP-citrate synthase, CITRATE ANION, DIHYDROGENPHOSPHATE ION, ...
Authors:Hu, J., Fraser, M.E.
Deposit date:2016-09-19
Release date:2017-08-09
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Binding of hydroxycitrate to human ATP-citrate lyase.
Acta Crystallogr D Struct Biol, 73, 2017
3T09
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E. COLI (LACZ) BETA-GALACTOSIDASE (S796A) GALACTONOLACTONE COMPLEX
Descriptor:Beta-galactosidase, D-galactonolactone, MAGNESIUM ION, ...
Authors:Jancewicz, L.J., Wheatley, R.W., Sutendra, G., Lee, M., Fraser, M., Huber, R.E.
Deposit date:2011-07-19
Release date:2012-01-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
1R4P
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SHIGA TOXIN TYPE 2
Descriptor:shiga-like toxin type II A subunit, shiga-like toxin type II B subunit, SODIUM ION, ...
Authors:Fraser, M.E., Fujinaga, M., Cherney, M.M., Melton-Celsa, A.R., Twiddy, E.M., O'Brien, A.D., James, M.N.G.
Deposit date:2003-10-07
Release date:2004-05-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure of Shiga Toxin Type 2 (Stx2) from Escherichia coli O157:H7.
J.Biol.Chem., 279, 2004
1PPK
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CRYSTALLOGRAPHIC ANALYSIS OF TRANSITION STATE MIMICS BOUND TO PENICILLOPEPSIN: PHOSPHOROUS-CONTAINING PEPTIDE ANALOGUES
Descriptor:PENICILLOPEPSIN, N-(3-methylbutanoyl)-L-valyl-N-{(1R)-1-[(R)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-L-valinamide, ALPHA-D-MANNOSE, ...
Authors:Strynadka, N.C.J., James, M.N.G.
Deposit date:1994-01-20
Release date:1994-05-31
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis of transition-state mimics bound to penicillopepsin: phosphorus-containing peptide analogues.
Biochemistry, 31, 1992
2GA4
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STX2 WITH ADENINE
Descriptor:Shiga-like toxin II subunit A, Shiga-like toxin II subunit B, SODIUM ION, ...
Authors:Fraser, M.E.
Deposit date:2006-03-07
Release date:2006-07-11
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of adenine to Stx2, the protein toxin from Escherichia coli O157:H7.
Acta Crystallogr.,Sect.F, 62, 2006
5TDF
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TEV CLEAVED HUMAN ATP CITRATE LYASE BOUND TO 4S HYDROXYCITRATE
Descriptor:ATP-citrate synthase, 3-C-carboxy-2-deoxy-D-erythro-pentaric acid, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Hu, J., Fraser, M.E.
Deposit date:2016-09-19
Release date:2017-08-09
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of hydroxycitrate to human ATP-citrate lyase.
Acta Crystallogr D Struct Biol, 73, 2017
3T2O
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E. COLI (LACZ) BETA-GALACTOSIDASE (S796D)
Descriptor:Beta-galactosidase, MAGNESIUM ION, SODIUM ION, ...
Authors:Jancewicz, L.J., Wheatley, R.W., Sutendra, G., Lee, M., Fraser, M., Huber, R.E.
Deposit date:2011-07-22
Release date:2012-01-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
2AHU
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CRYSTAL STRUCTURE OF ACYL-COA TRANSFERASE (YDIF) APOENZYME FROM ESCHERICHIA COLI O157:H7.
Descriptor:putative enzyme ydiF
Authors:Rangarajan, E.S., Li, Y., Ajamian, E., Iannuzzi, P., Kernaghan, S.D., Fraser, M.E., Cygler, M., Matte, A., Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2005-07-28
Release date:2005-11-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic trapping of the glutamyl-CoA thioester intermediate of family I CoA transferases.
J.Biol.Chem., 280, 2005
3T0A
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E. COLI (LACZ) BETA-GALACTOSIDASE (S796T)
Descriptor:Beta-galactosidase, MAGNESIUM ION, SODIUM ION, ...
Authors:Jancewicz, L.J., Wheatley, R.W., Sutendra, G., Lee, M., Fraser, M., Huber, R.E.
Deposit date:2011-07-19
Release date:2012-01-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
3T0D
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E.COLI (LACZ) BETA-GALACTOSIDASE (S796T) IN COMPLEX WITH GALACTONOLACTONE
Descriptor:Beta-galactosidase, D-galactonolactone, MAGNESIUM ION, ...
Authors:Jancewicz, L.J., Wheatley, R.W., Sutendra, G., Lee, M., Fraser, M., Huber, R.E.
Deposit date:2011-07-20
Release date:2012-01-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Ser-796 of Beta-galactosidase (E. coli) plays a Key role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
2AHV
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CRYSTAL STRUCTURE OF ACYL-COA TRANSFERASE FROM E. COLI O157:H7 (YDIF)-THIOESTER COMPLEX WITH COA- 1
Descriptor:putative enzyme YdiF, COENZYME A
Authors:Rangarajan, E.S., Li, Y., Ajamian, E., Iannuzzi, P., Kernaghan, S.D., Fraser, M.E., Cygler, M., Matte, A., Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2005-07-28
Release date:2005-11-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic trapping of the glutamyl-CoA thioester intermediate of family I CoA transferases.
J.Biol.Chem., 280, 2005
2NRB
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C28S MUTANT OF SUCCINYL-COA:3-KETOACID COA TRANSFERASE FROM PIG HEART
Descriptor:Succinyl-CoA:3-ketoacid-coenzyme A transferase 1, CHLORIDE ION
Authors:Tammam, S.D., Fraser, M.E.
Deposit date:2006-11-01
Release date:2007-09-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of the Cysteine Residue Exposed by the Conformational Change in Pig Heart Succinyl-CoA:3-Ketoacid Coenzyme A Transferase on Binding Coenzyme A.
Biochemistry, 46, 2007
3T08
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E. COLI (LACZ) BETA-GALACTOSIDASE (S796A) IPTG COMPLEX
Descriptor:Beta-galactosidase, MAGNESIUM ION, SODIUM ION, ...
Authors:Jancewicz, L.J., Wheatley, R.W., Sutendra, G., Lee, M., Fraser, M., Huber, R.E.
Deposit date:2011-07-19
Release date:2012-01-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
3VD4
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E. COLI (LACZ) BETA-GALACTOSIDASE (N460D) IN COMPLEX WITH IPTG
Descriptor:Beta-galactosidase, MAGNESIUM ION, SODIUM ION, ...
Authors:Wheatley, R.W., Kappelhoff, J.C., Hahn, J.N., Dugdale, M.L., Dutkoski, M.J., Tamman, S.D., Fraser, M.E., Huber, R.E.
Deposit date:2012-01-04
Release date:2012-04-11
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substitution for Asn460 cripples {beta}-galactosidase (Escherichia coli) by increasing substrate affinity and decreasing transition state stability.
Arch.Biochem.Biophys., 521, 2012
5TDZ
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TEV CLEAVED HUMAN ATP CITRATE LYASE BOUND TO TARTRATE AND ADP
Descriptor:ATP-citrate synthase, L(+)-TARTARIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Hu, J., Fraser, M.E.
Deposit date:2016-09-20
Release date:2017-08-09
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding of hydroxycitrate to human ATP-citrate lyase.
Acta Crystallogr D Struct Biol, 73, 2017
2NRC
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C28A MUTANT OF SUCCINYL-COA:3-KETOACID COA TRANSFERASE FROM PIG HEART
Descriptor:Succinyl-CoA:3-ketoacid-coenzyme A transferase 1
Authors:Tammam, S.D., Fraser, M.E.
Deposit date:2006-11-01
Release date:2007-09-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Identification of the Cysteine Residue Exposed by the Conformational Change in Pig Heart Succinyl-CoA:3-Ketoacid Coenzyme A Transferase on Binding Coenzyme A.
Biochemistry, 46, 2007
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