Author results

3L3A
  • Download 3l3a
  • View 3l3a
Molmil generated image of 3l3a
BACE-1 WITH THE AMINOPYRIDINE COMPOUND 32
Descriptor:Beta-secretase 1, 4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1H-pyrrol-2-yl}phenoxy)butanenitrile
Authors:Olland, A.M., Chopra, R.
Deposit date:2009-12-16
Release date:2010-04-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.362 Å)
Cite:Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
5CBE
  • Download 5cbe
  • View 5cbe
Molmil generated image of 5cbe
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
3LJ3
  • Download 3lj3
  • View 3lj3
Molmil generated image of 3lj3
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
4FUL
  • Download 4ful
  • View 4ful
Molmil generated image of 4ful
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
5CBA
  • Download 5cba
  • View 5cba
Molmil generated image of 5cba
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
2Q85
  • Download 2q85
  • View 2q85
Molmil generated image of 2q85
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
1FA0
  • Download 1fa0
  • View 1fa0
Molmil generated image of 1fa0
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
1K8T
  • Download 1k8t
  • View 1k8t
Molmil generated image of 1k8t
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
2QE5
  • Download 2qe5
  • View 2qe5
Molmil generated image of 2qe5
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
  • Download 2qu2
  • View 2qu2
Molmil generated image of 2qu2
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
1K90
  • Download 1k90
  • View 1k90
Molmil generated image of 1k90
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
3IBE
  • Download 3ibe
  • View 3ibe
Molmil generated image of 3ibe
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
3MJW
  • Download 3mjw
  • View 3mjw
Molmil generated image of 3mjw
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
  • Download 2qe2
  • View 2qe2
Molmil generated image of 2qe2
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
1K93
  • Download 1k93
  • View 1k93
Molmil generated image of 1k93
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
1S26
  • Download 1s26
  • View 1s26
Molmil generated image of 1s26
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
1KAQ
  • Download 1kaq
  • View 1kaq
Molmil generated image of 1kaq
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
  • Download 1lvc
  • View 1lvc
Molmil generated image of 1lvc
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
<12>