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
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
3LJ3
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PI3-KINASE-GAMMA WITH A PYRROLOPYRIDINE-BENZOFURAN INHIBITOR
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, (2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2H)-one
Authors:Bard, J., Svenson, K.
Deposit date:2010-01-25
Release date:2010-04-14
Last modified:2012-02-29
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery and optimization of 2-(4-substituted-pyrrolo[2,3-b]pyridin-3-yl)methylene-4-hydroxybenzofuran-3(2H)-ones as potent and selective ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR).
Bioorg.Med.Chem.Lett., 20, 2010
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
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
5CBA
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3B4 IN COMPLEX WITH CXCL13 - 3B4-CXCL13
Descriptor:3b4 heavy chain, 3b4 light chain, C-X-C motif chemokine 13, ...
Authors:Tu, C., Bard, J., Mosyak, L.
Deposit date:2015-06-30
Release date:2015-11-04
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Combination of Structural and Empirical Analyses Delineates the Key Contacts Mediating Stability and Affinity Increases in an Optimized Biotherapeutic Single-chain Fv (scFv).
J. Biol. Chem., 291, 2016
5CBE
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E10 IN COMPLEX WITH CXCL13
Descriptor:E10 heavy chain, E10 light chain, C-X-C motif chemokine 13, ...
Authors:Tu, C., Bard, J., Mosyak, L.
Deposit date:2015-06-30
Release date:2015-11-04
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Combination of Structural and Empirical Analyses Delineates the Key Contacts Mediating Stability and Affinity Increases in an Optimized Biotherapeutic Single-chain Fv (scFv).
J. Biol. Chem., 291, 2016
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
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
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
4FUL
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PI3 KINASE GAMMA BOUND TO A PYRMIDINE INHIBITOR
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide
Authors:Gopalsamy, A., Bennett, E.M., Shi, M., Zhang, W.G., Bard, J., Yu, K.
Deposit date:2012-06-28
Release date:2012-10-17
Last modified:2012-10-31
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Identification of pyrimidine derivatives as hSMG-1 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4GLR
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STRUCTURE OF THE ANTI-PTAU FAB (PT231/PS235_1) IN COMPLEX WITH PHOSPHOEPITOPE PT231/PS235
Descriptor:phospho-peptide, anti-ptau heavy chain, anti-ptau light chain, ...
Authors:Tu, C., Mosyak, L., Bard, J.
Deposit date:2012-08-14
Release date:2012-11-21
Last modified:2013-10-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An Ultra-specific Avian Antibody to Phosphorylated Tau Protein Reveals a Unique Mechanism for Phosphoepitope Recognition.
J.Biol.Chem., 287, 2012
5C2B
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ANTI-CXCL13 PARENTAL SCFV - 3B4
Descriptor:scFv 3B4 heavy chain, 3B4 light chain, CHLORIDE ION
Authors:Tu, C., Bard, J., Mosyak, L.
Deposit date:2015-06-15
Release date:2015-11-04
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.4049 Å)
Cite:Optimization of a scFv-based biotherapeutic by CDR side-chain clash repair
To Be Published
5C6W
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ANTI-CXCL13 SCFV - E10
Descriptor:Protein IGHV1-69-2,Ig lambda chain V-II region NIG-84, CHLORIDE ION, SULFATE ION, ...
Authors:Tu, C., Bard, J., Mosyak, L.
Deposit date:2015-06-23
Release date:2015-11-04
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Optimization of a scFv-based biotherapeutic by CDR side-chain clash repair
To Be Published
3MJW
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PI3 KINASE GAMMA WITH A BENZOFURANONE INHIBITOR
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, (2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one
Authors:Bard, J., Svenson, K.
Deposit date:2010-04-13
Release date:2010-06-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:5-Ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of breast cancer.
Bioorg.Med.Chem.Lett., 20, 2010
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
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