Author results

1FA0
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STRUCTURE OF YEAST POLY(A) POLYMERASE BOUND TO MANGANATE AND 3'-DATP
Descriptor:POLY(A)-POLYMERASE, MANGANESE (II) ION, 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Bard, J., Zhelkovsky, A.M., Helmling, S., Moore, C.L., Bohm, A.
Deposit date:2000-07-11
Release date:2000-08-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of yeast poly(A) polymerase alone and in complex with 3'-dATP.
Science, 289, 2000
1IKO
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CRYSTAL STRUCTURE OF THE MURINE EPHRIN-B2 ECTODOMAIN
Descriptor:EPHRIN-B2, N-ACETYL-D-GLUCOSAMINE, ALPHA-D-MANNOSE
Authors:Toth, J., Cutforth, T., Gelinas, A.D., Bethoney, K.A., Bard, J., Harrison, C.J.
Deposit date:2001-05-03
Release date:2002-05-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of an ephrin ectodomain.
Dev.Cell, 1, 2001
1K8T
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CRYSTAL STRUCTURE OF THE ADENYLYL CYCLASE DOMAIN OF ANTHRAX EDEMA FACTOR (EF)
Descriptor:CALMODULIN-SENSITIVE ADENYLATE CYCLASE, SULFATE ION, NICKEL (II) ION
Authors:Drum, C.L., Yan, S.-Z., Bard, J., Shen, Y.-Q., Lu, D., Soelaiman, S., Grabarek, Z., Bohm, A., Tang, W.-J.
Deposit date:2001-10-25
Release date:2002-01-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the activation of anthrax adenylyl cyclase exotoxin by calmodulin
Nature, 415, 2002
1K90
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CRYSTAL STRUCTURE OF THE ADENYLYL CYCLASE DOMAIN OF ANTHRAX EDEMA FACTOR (EF) IN COMPLEX WITH CALMODULIN AND 3' DEOXY-ATP
Descriptor:CALMODULIN-SENSITIVE ADENYLATE CYCLASE, CALMODULIN, YTTERBIUM (III) ION, ...
Authors:Drum, C.L., Yan, S.-Z., Bard, J., Shen, Y.-Q., Lu, D., Soelaiman, S., Grabarek, Z., Bohm, A., Tang, W.-J.
Deposit date:2001-10-26
Release date:2002-01-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for the activation of anthrax adenylyl cyclase exotoxin by calmodulin.
Nature, 415, 2002
1K93
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CRYSTAL STRUCTURE OF THE ADENYLYL CYCLASE DOMAIN OF ANTHRAX EDEMA FACTOR (EF) IN COMPLEX WITH CALMODULIN
Descriptor:CALMODULIN-SENSITIVE ADENYLATE CYCLASE, CALMODULIN, SULFATE ION, ...
Authors:Drum, C.L., Yan, S.-Z., Bard, J., Shen, Y.-Q., Lu, D., Soelaiman, S., Grabarek, Z., Bohm, A., Tang, W.-J.
Deposit date:2001-10-26
Release date:2002-01-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis for the activation of anthrax adenylyl cyclase exotoxin by calmodulin.
Nature, 415, 2002
1KAM
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STRUCTURE OF BACILLUS SUBTILIS NICOTINIC ACID MONONUCLEOTIDE ADENYLYL TRANSFERASE
Descriptor:NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE
Authors:Olland, A.M., Underwood, K.W., Czerwinski, R.M., Lo, M.C., Aulabaugh, A., Bard, J., Stahl, M.L., Somers, W.S., Sullivan, F.X., Chopra, R.
Deposit date:2001-11-02
Release date:2002-07-12
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification, characterization, and crystal structure of Bacillus subtilis nicotinic acid mononucleotide adenylyltransferase.
J.Biol.Chem., 277, 2002
1KAQ
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STRUCTURE OF BACILLUS SUBTILIS NICOTINIC ACID MONONUCLEOTIDE ADENYLYL TRANSFERASE
Descriptor:NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE, NICOTINIC ACID ADENINE DINUCLEOTIDE
Authors:Olland, A.M., Underwood, K.W., Czerwinski, R.M., Lo, M.C., Aulabaugh, A., Bard, J., Stahl, M.L., Somers, W.S., Sullivan, F.X., Chopra, R.
Deposit date:2001-11-02
Release date:2002-07-12
Last modified:2014-11-19
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Identification, characterization, and crystal structure of Bacillus subtilis nicotinic acid mononucleotide adenylyltransferase.
J.Biol.Chem., 277, 2002
1LVC
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CRYSTAL STRUCTURE OF THE ADENYLYL CYCLASE DOMAIN OF ANTHRAX EDEMA FACTOR (EF) IN COMPLEX WITH CALMODULIN AND 2' DEOXY, 3' ANTHRANILOYL ATP
Descriptor:calmodulin-sensitive adenylate cyclase, calmodulin, YTTERBIUM (III) ION, ...
Authors:Shen, Y., Lee, Y.-S., Soelaiman, S., Bergson, P., Lu, D., Chen, A., Beckingham, K., Grabarek, Z., Mrksich, M., Tang, W.-J.
Deposit date:2002-05-28
Release date:2002-12-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Physiological calcium concentrations regulate calmodulin binding and catalysis of adenylyl cyclase exotoxins
Embo J., 21, 2002
1S26
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STRUCTURE OF ANTHRAX EDEMA FACTOR-CALMODULIN-ALPHA,BETA-METHYLENEADENOSINE 5'-TRIPHOSPHATE COMPLEX REVEALS AN ALTERNATIVE MODE OF ATP BINDING TO THE CATALYTIC SITE
Descriptor:Calmodulin-sensitive adenylate cyclase, Calmodulin, YTTERBIUM (III) ION, ...
Authors:Shen, Y., Zhukovskaya, N.L., Bohm, A., Tang, W.-J.
Deposit date:2004-01-08
Release date:2004-04-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of anthrax edema factor-calmodulin-adenosine-5'-(alpha,beta-methylene)-triphosphate complex reveals an alternative mode of ATP binding to the catalytic site
Biochem.Biophys.Res.Commun., 317, 2004
1T0Q
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STRUCTURE OF THE TOLUENE/O-XYLENE MONOOXYGENASE HYDROXYLASE
Descriptor:toluene, o-xylene monooxygenase oxygenase subunit, touB, ...
Authors:Sazinsky, M.H., Bard, J., Di Donato, A., Lippard, S.J.
Deposit date:2004-04-12
Release date:2004-07-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase from Pseudomonas stutzeri OX1: INSIGHT INTO THE SUBSTRATE SPECIFICITY, SUBSTRATE CHANNELING, AND ACTIVE SITE TUNING OF MULTICOMPONENT MONOOXYGENASES.
J.Biol.Chem., 279, 2004
1T0R
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CRYSTAL STRUCTURE OF THE TOLUENE/O-XYLENE MONOOXYGENASE HYDROXUYLASE FROM PSEUDOMONAS STUTZERI-AZIDE BOUND
Descriptor:toluene, o-xylene monooxygenase oxygenase subunit, touB, ...
Authors:Sazinsky, M.H., Bard, J., Di Donato, A., Lippard, S.J.
Deposit date:2004-04-12
Release date:2004-07-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase from Pseudomonas stutzeri OX1: INSIGHT INTO THE SUBSTRATE SPECIFICITY, SUBSTRATE CHANNELING, AND ACTIVE SITE TUNING OF MULTICOMPONENT MONOOXYGENASES.
J.Biol.Chem., 279, 2004
1T0S
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STRUCTURE OF THE TOLUENE/O-XYLENE MONOOXYGENASE HYDROXYLASE WITH 4-BROMOPHENOL BOUND
Descriptor:toluene, o-xylene monooxygenase oxygenase subunit, touB, ...
Authors:Sazinsky, M.H., Bard, J., Di Donato, A., Lippard, S.J.
Deposit date:2004-04-12
Release date:2004-07-27
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase from Pseudomonas stutzeri OX1: INSIGHT INTO THE SUBSTRATE SPECIFICITY, SUBSTRATE CHANNELING, AND ACTIVE SITE TUNING OF MULTICOMPONENT MONOOXYGENASES.
J.Biol.Chem., 279, 2004
2GC8
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STRUCTURE OF A PROLINE SULFONAMIDE INHIBITOR BOUND TO HCV NS5B POLYMERASE
Descriptor:RNA-directed RNA polymerase, 1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE
Authors:Gopalsamy, A., Chopra, R., Lim, K., Ciszewski, G., Shi, M., Curran, K.J., Sukits, S.F., Svenson, K., Bard, J., Ellingboe, J.W., Agarwal, A., Krishnamurthy, G., Howe, A.Y., Orlowski, M., Feld, B., O'connell, J., Mansour, T.S.
Deposit date:2006-03-13
Release date:2006-06-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Proline Sulfonamides as Potent and Selective Hepatitis C Virus NS5b Polymerase Inhibitors. Evidence for a New NS5b Polymerase Binding Site.
J.Med.Chem., 49, 2006
2Q85
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CRYSTAL STRUCTURE OF E. COLI MUR B BOUND TO A NAPHTHYL TETRONIC ACID INIHIBITOR
Descriptor:UDP-N-acetylenolpyruvoylglucosamine reductase, (5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Chopra, R., Bard, J., Svenson, K., Mansour, T.
Deposit date:2007-06-08
Release date:2007-06-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal Structure of E. Coli Mur B bound to a napthyl tetronic acid inhibitor
TO BE PUBLISHED
2QE2
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STRUCTURE OF HCV NS5B BOUND TO AN ANTHRANILIC ACID INHIBITOR
Descriptor:RNA-directed RNA polymerase, 2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID
Authors:Chopra, R., Svenson, K., Bard, J.
Deposit date:2007-06-22
Release date:2007-10-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of Anthranilic Acid Derivatives as a Novel Class of Allosteric Inhibitors of Hepatitis C NS5B Polymerase
J.Med.Chem., 50, 2007
2QE5
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STRUCTURE OF HCV NS5B BOUND TO AN ANTHRANILIC ACID INHIBITOR
Descriptor:RNA-directed RNA polymerase, 2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID
Authors:Chopra, R., Svenson, K., Bard, J.
Deposit date:2007-06-22
Release date:2007-10-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of Anthranilic Acid Derivatives as a Novel Class of Allosteric Inhibitors of Hepatitis C NS5B Polymerase
J.Med.Chem., 50, 2007
2QU2
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BACE1 WITH COMPOUND 1
Descriptor:Beta-secretase 1, N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide
Authors:Chopra, R.
Deposit date:2007-08-03
Release date:2008-08-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Thiophene substituted acylguanidines as BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2QU3
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BACE1 WITH COMPOUND 2
Descriptor:Beta-secretase 1, N-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide
Authors:Chopra, R.
Deposit date:2007-08-03
Release date:2008-08-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thiophene substituted acylguanidines as BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2ZDZ
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X-RAY STRUCTURE OF BACE-1 IN COMPLEX WITH COMPOUND 3.B.10
Descriptor:Beta-secretase 1, N-carbamimidoyl-2-[2-(2-chlorophenyl)-5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-1-yl]ethanamide
Authors:Chopra, R., Olland, A.
Deposit date:2007-12-04
Release date:2008-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets.
Bioorg.Med.Chem.Lett., 18, 2008
2ZE1
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X-RAY STRUCTURE OF BACE-1 IN COMPLEX WITH COMPOUND 6G
Descriptor:Beta-secretase 1, 3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide
Authors:Chopra, R., Olland, A.
Deposit date:2007-12-05
Release date:2008-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets.
Bioorg.Med.Chem.Lett., 18, 2008
3H6K
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CRYSTAL STRUCTURE OF HUMAN 11-BETA-HYDROXYSTEROID-DEHYDROGENASE BOUND TO AN ORTHO-CHLRO-SULFONYL-PIPERAZINE INHIBITOR
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide
Authors:Bard, J., Svenson, K.
Deposit date:2009-04-23
Release date:2009-12-01
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.187 Å)
Cite:Efficacious 11beta-hydroxysteroid dehydrogenase type I inhibitors in the diet-induced obesity mouse model.
J.Med.Chem., 52, 2009
3HFG
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CRYSTAL STRUCTURE OF HUMAN 11-BETA-HYDROXYSTEROID-DEHYDROGENASE BOUND TO AN SULFONYL-PIPERAZINE INHIBITOR
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1H-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bard, J., Svenson, K.
Deposit date:2009-05-11
Release date:2009-09-29
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Efficacious 11beta-hydroxysteroid dehydrogenase type I inhibitors in the diet-induced obesity mouse model.
J.Med.Chem., 52, 2009
3IBE
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CRYSTAL STRUCTURE OF A PYRAZOLOPYRIMIDINE INHIBITOR BOUND TO PI3 KINASE GAMMA
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, 1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea
Authors:Bard, J., Svenson, K.
Deposit date:2009-07-15
Release date:2009-09-01
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.798 Å)
Cite:ATP-Competitive Inhibitors of the Mammalian Target of Rapamycin: Design and Synthesis of Highly Potent and Selective Pyrazolopyrimidines.
J.Med.Chem., 52, 2009
3IGB
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BACE-1 WITH COMPOUND 3
Descriptor:Beta-secretase 1, 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
Authors:Olland, A.M.
Deposit date:2009-07-27
Release date:2009-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.238 Å)
Cite:Aminoimidazoles as potent and selective human beta-secretase (BACE1) inhibitors
J.Med.Chem., 52, 2009
3IN3
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BACE1 WITH COMPOUND 30
Descriptor:Beta-secretase 1, (5S)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one
Authors:Olland, A.M.
Deposit date:2009-08-11
Release date:2010-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem., 18, 2010
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