Author results

1DPB
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CRYSTALLOGRAPHIC AND ENZYMATIC INVESTIGATIONS ON THE ROLE OF SER558, HIS610 AND ASN614 IN THE CATALYTIC MECHANISM OF AZOTOBACTER VINELANDII DIHYDROLIPOAMIDE ACETYLTRANSFERASE (E2P)
Descriptor:DIHYDROLIPOYL-TRANSACETYLASE
Authors:Hendle, J., Hol, W.G.J.
Deposit date:1995-02-03
Release date:1995-04-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic and enzymatic investigations on the role of Ser558, His610, and Asn614 in the catalytic mechanism of Azotobacter vinelandii dihydrolipoamide acetyltransferase (E2p).
Biochemistry, 34, 1995
1DPC
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CRYSTALLOGRAPHIC AND ENZYMATIC INVESTIGATIONS ON THE ROLE OF SER558, HIS610 AND ASN614 IN THE CATALYTIC MECHANISM OF AZOTOBACTER VINELANDII DIHYDROLIPOAMIDE ACETYLTRANSFERASE (E2P)
Descriptor:DIHYDROLIPOYL-TRANSACETYLASE
Authors:Hendle, J., Hol, W.G.J.
Deposit date:1995-02-03
Release date:1995-04-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystallographic and enzymatic investigations on the role of Ser558, His610, and Asn614 in the catalytic mechanism of Azotobacter vinelandii dihydrolipoamide acetyltransferase (E2p).
Biochemistry, 34, 1995
1DPD
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CRYSTALLOGRAPHIC AND ENZYMATIC INVESTIGATIONS ON THE ROLE OF SER558, HIS610 AND ASN614 IN THE CATALYTIC MECHANISM OF AZOTOBACTER VINELANDII DIHYDROLIPOAMIDE ACETYLTRANSFERASE (E2P)
Descriptor:DIHYDROLIPOYL-TRANSACETYLASE
Authors:Hendle, J., Hol, W.G.J.
Deposit date:1995-02-03
Release date:1995-04-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystallographic and enzymatic investigations on the role of Ser558, His610, and Asn614 in the catalytic mechanism of Azotobacter vinelandii dihydrolipoamide acetyltransferase (E2p).
Biochemistry, 34, 1995
2WAZ
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N512P MUTANT OF THE DNA BINDING DOMAIN OF THE ADENOVIRUS 5 SSDNA BINDING PROTEIN
Descriptor:E2A DNA-BINDING PROTEIN, ZINC ION
Authors:Hendle, J., Kanellopoulos, P.N., Tucker, P.A.
Deposit date:2009-02-19
Release date:2010-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:High Resolution Structures of the Adenovirus Single-Stranded DNA Binding Protein and the N512P Hinge-Region Mutant
To be Published
2WB0
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2.1 RESOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF THE HUMAN ADENOVIRUS 5 SSDNA BINDING PROTEIN
Descriptor:E2A DNA-BINDING PROTEIN, ZINC ION
Authors:Hendle, J., Kanellopoulos, P.N., Tucker, P.A.
Deposit date:2009-02-19
Release date:2010-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:High Resolution Structures of the Adenovirus Single-Stranded DNA Binding Protein and the N512P Hinge-Region Mutant
To be Published
6MNH
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ULK1 UNC-51 LIKE AUTOPHAGY ACTIVATING KINASE IN COMPLEX WITH INHIBITOR BTC
Descriptor:Serine/threonine-protein kinase ULK1, N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide, DIMETHYL SULFOXIDE, ...
Authors:Hendle, J., Sauder, J.M., Hickey, M.J., Rauch, C.T., Maletic, M., Schwinn, K.D.
Deposit date:2018-10-01
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Idea2Data: Toward a New Paradigm for Drug Discovery
Acs Med.Chem.Lett., 10, 2019
3CIZ
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CRYSTAL STRUCTURE OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE NS5B IN COMPLEX WITH SMALL MOLECULE FRAGMENTS
Descriptor:RNA-directed RNA polymerase, ZINC ION, 2-amino-5-bromobenzoic acid
Authors:Hendle, j.
Deposit date:2008-03-12
Release date:2008-04-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3CJ5
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CRYSTAL STRUCTURE OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE NS5B IN COMPLEX WITH OPTIMIZED SMALL MOLECULE FRAGMENTS
Descriptor:RNA-directed RNA polymerase, N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide
Authors:Hendle, j.
Deposit date:2008-03-12
Release date:2008-04-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3DKC
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STRUCTURE OF MET RECEPTOR TYROSINE KINASE IN COMPLEX WITH ATP
Descriptor:Hepatocyte growth factor receptor, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Hendle, J.
Deposit date:2008-06-24
Release date:2009-07-07
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo.
Mol.Cancer Ther., 8, 2009
3DKF
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STRUCTURE OF MET RECEPTOR TYROSINE KINASE IN COMPLEX WITH INHIBITOR SGX-523
Descriptor:Hepatocyte growth factor receptor, CHLORIDE ION, 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline
Authors:Hendle, J.
Deposit date:2008-06-24
Release date:2009-07-07
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo.
Mol.Cancer Ther., 8, 2009
3DKG
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STRUCTURE OF MUTANT(Y1248L) MET RECEPTOR TYROSINE KINASE IN COMPLEX WITH INHIBITOR SGX-523
Descriptor:Hepatocyte growth factor receptor, CHLORIDE ION, 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline
Authors:Hendle, J.
Deposit date:2008-06-24
Release date:2009-07-07
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo.
Mol.Cancer Ther., 8, 2009
1GPE
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GLUCOSE OXIDASE FROM PENICILLIUM AMAGASAKIENSE
Descriptor:PROTEIN (GLUCOSE OXIDASE), N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Hendle, J., Kalisz, H.M., Hecht, H.J.
Deposit date:1999-03-24
Release date:1999-05-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:1.8 and 1.9 A resolution structures of the Penicillium amagasakiense and Aspergillus niger glucose oxidases as a basis for modelling substrate complexes.
Acta Crystallogr.,Sect.D, 55, 1999
5VR9
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CH1/CKAPPA FAB BASED ON MATUZUMAB
Descriptor:CH1/Ckappa Fab heavy chain, CH1/Ckappa Fab light chain
Authors:Hendle, J.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Computational design of a specific heavy chain/ kappa light chain interface for expressing fully IgG bispecific antibodies.
Protein Sci., 26, 2017
5VSH
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CH1/CLAMBDA FAB BASED ON PERTUZUMAB
Descriptor:CH1/Clambda Fab heavy chain, CH1/Clambda Fab light chain, SULFATE ION
Authors:Hendle, J.
Deposit date:2017-05-11
Release date:2017-08-02
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Computational design of a specific heavy chain/ kappa light chain interface for expressing fully IgG bispecific antibodies.
Protein Sci., 26, 2017
5VSI
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CH1/CKAPPA FAB MUTANT 15.1
Descriptor:CH1/Ckappa Fab heavy chain, CH1/Ckappa Fab light chain, SULFATE ION, ...
Authors:Hendle, J.
Deposit date:2017-05-11
Release date:2017-08-02
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Computational design of a specific heavy chain/ kappa light chain interface for expressing fully IgG bispecific antibodies.
Protein Sci., 26, 2017
1MDO
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CRYSTAL STRUCTURE OF ARNB AMINOTRANSFERASE WITH PYRIDOMINE 5' PHOSPHATE
Descriptor:ArnB aminotransferase, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE
Authors:Noland, B.W., Newman, J.M., Hendle, J., Badger, J., Christopher, J.A., Tresser, J., Buchanan, M.D., Wright, T., Rutter, M.E., Sanderson, W.E., Muller-Dieckmann, H.-J., Gajiwala, K., Sauder, J.M., Buchanan, S.G.
Deposit date:2002-08-07
Release date:2002-12-11
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural studies of Salmonella typhimurium ArnB (PmrH) aminotransferase: A 4-amino-4-deoxy-L-arabinose lipopolysaccharide modifying enzyme
Structure, 10, 2002
1MDX
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CRYSTAL STRUCTURE OF ARNB TRANSFERASE WITH PYRIDOXAL 5' PHOSPHATE
Descriptor:ArnB aminotransferase, PYRIDOXAL-5'-PHOSPHATE, 2-OXOGLUTARIC ACID, ...
Authors:Noland, B.W., Newman, J.M., Hendle, J., Badger, J., Christopher, J.A., Tresser, J., Buchanan, M.D., Wright, T.A., Rutter, M.E., Sanderson, W.E., Muller-Dieckmann, H.-J., Gajiwala, K.S., Sauder, J.M., Buchanan, S.G.
Deposit date:2002-08-07
Release date:2002-12-11
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural studies of Salmonella typhimurium ArnB (PmrH) aminotransferase: A 4-amino-4-deoxy-L-arabinose lipopolysaccharide modifying enzyme
Structure, 10, 2002
1MDZ
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CRYSTAL STRUCTURE OF ARNB AMINOTRANSFERASE WITH CYCLOSERINE AND PYRIDOXAL 5' PHOSPHATE
Descriptor:ArnB aminotransferase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, PYRIDOXAL-5'-PHOSPHATE
Authors:Noland, B.W., Newman, J.M., Hendle, J., Badger, J., Christopher, J.A., Tresser, J., Buchanan, M.D., Wright, T., Rutter, M.E., Sanderson, W.E., Muller-Dieckmann, H.-J., Gajiwala, K.S., Sauder, J.M., Buchanan, S.G.
Deposit date:2002-08-07
Release date:2002-12-11
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural studies of Salmonella typhimurium ArnB (PmrH) aminotransferase: A 4-amino-4-deoxy-L-arabinose lipopolysaccharide modifying enzyme
Structure, 10, 2002
1XBA
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CRYSTAL STRUCTURE OF APO SYK TYROSINE KINASE DOMAIN
Descriptor:Tyrosine-protein kinase SYK
Authors:Atwell, S., Adams, J.M., Badger, J., Buchanan, M.D., Feil, I.K., Froning, K.J., Gao, X., Hendle, J., Keegan, K., Leon, B.C., Muller-Deickmann, H.J., Nienaber, V.L., Noland, B.W., Post, K., Rajashankar, K.R., Ramos, A., Russell, M., Burley, S.K., Buchanan, S.G.
Deposit date:2004-08-30
Release date:2004-11-02
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:A novel mode of Gleevec binding is revealed by the structure of spleen tyrosine kinase.
J.Biol.Chem., 279, 2004
1XBB
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CRYSTAL STRUCTURE OF THE SYK TYROSINE KINASE DOMAIN WITH GLEEVEC
Descriptor:Tyrosine-protein kinase SYK, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE
Authors:Nienaber, V.L., Atwell, S., Adams, J.M., Badger, J., Buchanan, M.D., Feil, I.K., Froning, K.J., Gao, X., Hendle, J., Keegan, K., Leon, B.C., Muller-Deickmann, H.J., Noland, B.W., Post, K., Rajashankar, K.R., Ramos, A., Russell, M., Burley, S.K., Buchanan, S.G.
Deposit date:2004-08-30
Release date:2004-11-02
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:A Novel Mode of Gleevec Binding Is Revealed by the Structure of Spleen Tyrosine Kinase
J.Biol.Chem., 279, 2004
1XBC
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CRYSTAL STRUCTURE OF THE SYK TYROSINE KINASE DOMAIN WITH STAUROSPORIN
Descriptor:Tyrosine-protein kinase SYK, STAUROSPORINE
Authors:Badger, J., Atwell, S., Adams, J.M., Buchanan, M.D., Feil, I.K., Froning, K.J., Gao, X., Hendle, J., Keegan, K., Leon, B.C., Muller-Deickmann, H.J., Nienaber, V.L., Noland, B.W., Post, K., Rajashankar, K.R., Ramos, A., Russell, M., Burley, S.K., Buchanan, S.G.
Deposit date:2004-08-30
Release date:2004-11-02
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:A novel mode of Gleevec binding is revealed by the structure of spleen tyrosine kinase
J.Biol.Chem., 279, 2004
1GAL
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CRYSTAL STRUCTURE OF GLUCOSE OXIDASE FROM ASPERGILLUS NIGER: REFINED AT 2.3 ANGSTROMS RESOLUTION
Descriptor:GLUCOSE OXIDASE, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Hecht, H.J., Kalisz, K., Hendle, J., Schmid, R.D., Schomburg, D.
Deposit date:1992-08-27
Release date:1993-10-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of glucose oxidase from Aspergillus niger refined at 2.3 A resolution.
J.Mol.Biol., 229, 1993
1Q2W
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X-RAY CRYSTAL STRUCTURE OF THE SARS CORONAVIRUS MAIN PROTEASE
Descriptor:nonstructural polyprotein pp1a, (4S)-2-METHYL-2,4-PENTANEDIOL
Authors:Bonanno, J.B., Fowler, R., Gupta, S., Hendle, J., Lorimer, D., Romero, R., Sauder, J.M., Wei, C.L., Liu, E.T., Burley, S.K., Harris, T.
Deposit date:2003-07-26
Release date:2003-07-29
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:X-Ray Crystal Structure of the SARS Coronavirus Main Protease
To be Published
2PZE
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MINIMAL HUMAN CFTR FIRST NUCLEOTIDE BINDING DOMAIN AS A HEAD-TO-TAIL DIMER
Descriptor:Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, ADENOSINE-5'-TRIPHOSPHATE
Authors:Atwell, S., Conners, K., Emtage, S., Gheyi, T., Glenn, N.R., Hendle, J., Lewis, H.A., Lu, F., Rodgers, L.A., Romero, R., Sauder, J.M., Smith, D., Tien, H., Wasserman, S.R., Zhao, X.
Deposit date:2007-05-17
Release date:2007-10-09
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of a minimal human CFTR first nucleotide-binding domain as a monomer, head-to-tail homodimer, and pathogenic mutant.
Protein Eng.Des.Sel., 23, 2010
2PZF
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MINIMAL HUMAN CFTR FIRST NUCLEOTIDE BINDING DOMAIN AS A HEAD-TO-TAIL DIMER WITH DELTA F508
Descriptor:Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, ADENOSINE-5'-TRIPHOSPHATE
Authors:Atwell, S., Conners, K., Emtage, S., Gheyi, T., Glenn, N.R., Hendle, J., Lewis, H.A., Lu, F., Rodgers, L.A., Romero, R., Sauder, J.M., Smith, D., Tien, H., Wasserman, S.R., Zhao, X.
Deposit date:2007-05-18
Release date:2007-10-09
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of a minimal human CFTR first nucleotide-binding domain as a monomer, head-to-tail homodimer, and pathogenic mutant.
Protein Eng.Des.Sel., 23, 2010