Author results

3PBG
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6-PHOSPHO-BETA-GALACTOSIDASE FORM-C
Descriptor:6-PHOSPHO-BETA-D-GALACTOSIDASE, SULFATE ION
Authors:Wiesmann, C., Schulz, G.E.
Deposit date:1997-02-21
Release date:1997-07-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures and mechanism of 6-phospho-beta-galactosidase from Lactococcus lactis.
J.Mol.Biol., 269, 1997
2PBG
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6-PHOSPHO-BETA-D-GALACTOSIDASE FORM-B
Descriptor:6-PHOSPHO-BETA-D-GALACTOSIDASE, SULFATE ION
Authors:Wiesmann, C., Schulz, G.E.
Deposit date:1997-02-21
Release date:1997-07-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures and mechanism of 6-phospho-beta-galactosidase from Lactococcus lactis.
J.Mol.Biol., 269, 1997
4PBG
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6-PHOSPHO-BETA-GALACTOSIDASE FORM-CST
Descriptor:6-PHOSPHO-BETA-D-GALACTOSIDASE, BETA-GALACTOSE-6-PHOSPHATE
Authors:Wiesmann, C., Schulz, G.E.
Deposit date:1997-02-21
Release date:1997-07-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures and mechanism of 6-phospho-beta-galactosidase from Lactococcus lactis.
J.Mol.Biol., 269, 1997
1FLT
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VEGF IN COMPLEX WITH DOMAIN 2 OF THE FLT-1 RECEPTOR
Descriptor:VASCULAR ENDOTHELIAL GROWTH FACTOR, FMS-LIKE TYROSINE KINASE 1
Authors:Wiesmann, C., De Vos, A.M.
Deposit date:1997-11-20
Release date:1999-01-13
Last modified:2012-05-02
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure at 1.7 A resolution of VEGF in complex with domain 2 of the Flt-1 receptor.
Cell(Cambridge,Mass.), 91, 1997
1PBG
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THE THREE-DIMENSIONAL STRUCTURE OF 6-PHOSPHO-BETA GALACTOSIDASE FROM LACTOCOCCUS LACTIS
Descriptor:6-PHOSPHO-BETA-D-GALACTOSIDASE, SULFATE ION
Authors:Wiesmann, C., Schulz, G.E.
Deposit date:1995-09-14
Release date:1996-03-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The three-dimensional structure of 6-phospho-beta-galactosidase from Lactococcus lactis.
Structure, 3, 1995
1T48
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ALLOSTERIC INHIBITION OF PROTEIN TYROSINE PHOSPHATASE 1B
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID DIMETHYLAMIDE
Authors:Wiesmann, C., Barr, K.J., Kung, J., Zhu, J., Shen, W., Fahr, B.J., Zhong, M., Erlanson, D.A., Taylor, L., Randal, M., McDowell, R.S., Hansen, S.K.
Deposit date:2004-04-28
Release date:2004-07-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric inhibition of protein tyrosine phosphatase 1B
Nat.Struct.Mol.Biol., 11, 2004
1T49
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ALLOSTERIC INHIBITION OF PROTEIN TYROSINE PHOSPHATASE 1B
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, MAGNESIUM ION, ...
Authors:Wiesmann, C., Barr, K.J., Kung, J., Zhu, J., Shen, W., Fahr, B.J., Zhong, M., Taylor, L., Randal, M., McDowell, R.S., Hansen, S.K.
Deposit date:2004-04-28
Release date:2004-07-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Allosteric inhibition of protein tyrosine phosphatase 1B.
Nat.Struct.Mol.Biol., 11, 2004
1T4J
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ALLOSTERIC INHIBITION OF PROTEIN TYROSINE PHOSPHATASE 1B
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE
Authors:Wiesmann, C., Barr, K.J., Kung, J., Zhu, J., Shen, W., Fahr, B.J., Zhong, M., Taylor, L., Randal, M., McDowell, R.S., Hansen, S.K.
Deposit date:2004-04-29
Release date:2004-07-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allosteric inhibition of protein tyrosine phosphatase 1B
Nat.Struct.Mol.Biol., 11, 2004
1VPP
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COMPLEX BETWEEN VEGF AND A RECEPTOR BLOCKING PEPTIDE
Descriptor:PROTEIN (VASCULAR ENDOTHELIAL GROWTH FACTOR), PROTEIN (PEPTIDE V108)
Authors:Wiesmann, C., Christinger, H.W., Cochran, A.G., Cunningham, B.C., Fairbrother, W.J., Keenan, C.J., Meng, G., de Vos, A.M.
Deposit date:1998-10-09
Release date:1999-02-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the complex between VEGF and a receptor-blocking peptide.
Biochemistry, 37, 1998
1WWW
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NGF IN COMPLEX WITH DOMAIN 5 OF THE TRKA RECEPTOR
Descriptor:PROTEIN (NERVE GROWTH FACTOR), PROTEIN (TRKA RECEPTOR)
Authors:Wiesmann, C., Ultsch, M.H., De Vos, A.M.
Deposit date:1999-03-12
Release date:1999-09-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of nerve growth factor in complex with the ligand-binding domain of the TrkA receptor.
Nature, 401, 1999
2ICC
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EXTRACELLULAR DOMAIN OF CRIG
Descriptor:V-set and immunoglobulin domain-containing protein 4
Authors:Wiesmann, C.
Deposit date:2006-09-12
Release date:2006-11-07
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of C3b in complex with CRIg gives insights into regulation of complement activation.
Nature, 444, 2006
2ICE
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CRIG BOUND TO C3C
Descriptor:Complement C3 beta chain, Complement C3 alpha chain, V-set and immunoglobulin domain-containing protein 4, ...
Authors:Wiesmann, C.
Deposit date:2006-09-12
Release date:2006-11-07
Last modified:2012-09-05
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of C3b in complex with CRIg gives insights into regulation of complement activation.
Nature, 444, 2006
2ICF
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CRIG BOUND TO C3B
Descriptor:Complement C3 beta chain, Complement C3 alpha chain, V-set and immunoglobulin domain-containing protein 4, ...
Authors:Wiesmann, C.
Deposit date:2006-09-12
Release date:2006-11-07
Last modified:2013-09-18
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Structure of C3b in complex with CRIg gives insights into regulation of complement activation.
Nature, 444, 2006
1QTY
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VASCULAR ENDOTHELIAL GROWTH FACTOR IN COMPLEX WITH DOMAIN 2 OF THE FLT-1 RECEPTOR
Descriptor:VASCULAR ENDOTHELIAL GROWTH FACTOR, FMS-LIKE TYROSINE KINASE 1
Authors:Wiesmann, C., de Vos, A.M.
Deposit date:1999-06-29
Release date:2000-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Solution structure of the VEGF-binding domain of Flt-1: comparison of its free and bound states.
J.Mol.Biol., 293, 1999
4RVK
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CHK1 KINASE DOMAIN WITH DIAZACARBAZOLE COMPOUND 8: N-[3-(6-CYANO-9H-PYRROLO[2,3-B:5,4-C']DIPYRIDIN-3-YL)PHENYL]ACETAMIDE
Descriptor:Serine/threonine-protein kinase Chk1, N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide
Authors:Wiesmann, C., Wu, P.
Deposit date:2014-11-26
Release date:2015-06-03
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
4RVL
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CHK1 KINASE DOMAIN WITH DIAZACARBAZOLE COMPOUND 7: 3-(2-HYDROXYPHENYL)-9H-PYRROLO[2,3-B:5,4-C']DIPYRIDINE-6-CARBONITRILE
Descriptor:Serine/threonine-protein kinase Chk1, 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
Authors:Wiesmann, C., Wu, P.
Deposit date:2014-11-26
Release date:2015-06-03
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
3COH
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CRYSTAL STRUCTURE OF AURORA-A IN COMPLEX WITH A PENTACYCLIC INHIBITOR
Descriptor:Serine/threonine-protein kinase 6, 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one
Authors:Wiesmann, C., Raswson, T.E., Cochran, A.G.
Deposit date:2008-03-28
Release date:2009-02-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability.
J.Med.Chem., 51, 2008
3H0Y
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AURORA A IN COMPLEX WITH A BISANILINOPYRIMIDINE
Descriptor:Serine/threonine-protein kinase 6, 2-chloro-N-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide, SULFATE ION
Authors:Wiesmann, C., Ultsch, M.H., Cochran, A.G.
Deposit date:2009-04-10
Release date:2009-07-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.
J.Med.Chem., 52, 2009
3H0Z
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AURORA A IN COMPLEX WITH A BISANILINOPYRIMIDINE
Descriptor:Serine/threonine-protein kinase 6, 4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-N-(2-chlorophenyl)benzamide
Authors:Wiesmann, C., Ultsch, M.H., Cochran, A.G.
Deposit date:2009-04-10
Release date:2009-07-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.
J.Med.Chem., 52, 2009
3H10
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AURORA A INHIBITOR COMPLEX
Descriptor:Serine/threonine-protein kinase 6, 9-chloro-7-(2,6-difluorophenyl)-N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5H-pyrimido[5,4-d][2]benzazepin-2-amine
Authors:Wiesmann, C., Ultsch, M.H., Cochran, A.G.
Deposit date:2009-04-10
Release date:2009-07-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.
J.Med.Chem., 52, 2009
6FFN
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STRUCTURE-BASED DESIGN AND SYNTHESIS OF MACROCYCLIC HUMAN RHINOVIRUS 3C PROTEASE INHIBITORS
Descriptor:3C protease, ~{N}-[(5~{S},8~{S},11~{S},15~{R})-8-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-2,7,10,14-tetrakis(oxidanylidene)-1,6,9,13-tetrazabicyclo[13.3.0]octadecan-11-yl]-5-methyl-1,2-oxazole-3-carboxamide, SULFATE ION, ...
Authors:Wiesmann, C., Farady, C.
Deposit date:2018-01-08
Release date:2018-02-21
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6FFS
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STRUCTURE-BASED DESIGN AND SYNTHESIS OF MACROCYCLIC HUMAN RHINOVIRUS 3C PROTEASE INHIBITORS
Descriptor:3C Protease, ~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide, SULFATE ION
Authors:Wiesmann, C., Farady, C.
Deposit date:2018-01-09
Release date:2018-02-21
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
1WWA
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NGF BINDING DOMAIN OF HUMAN TRKA RECEPTOR
Descriptor:PROTEIN (NERVE GROWTH FACTOR RECEPTOR TRKA)
Authors:Wiesmann, C., Ultsch, M.H., Bass, S.H., De Vos, A.M.
Deposit date:1999-04-29
Release date:1999-07-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of the neurotrophin-binding domain of TrkA, TrkB and TrkC.
J.Mol.Biol., 290, 1999
1WWB
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LIGAND BINDING DOMAIN OF HUMAN TRKB RECEPTOR
Descriptor:PROTEIN (Brain Derived Neurotrophic Factor Receptor TrkB)
Authors:Wiesmann, C., Ultsch, M.H., Bass, S.H., De Vos, A.M.
Deposit date:1999-05-03
Release date:1999-07-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the neurotrophin-binding domain of TrkA, TrkB and TrkC.
J.Mol.Biol., 290, 1999
2FJF
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STRUCTURE OF THE G6 FAB, A PHAGE DERIVED VEGF BINDING FAB
Descriptor:Light Chain of a VEGF binding Antibody, Heavy Chain of a VEGF binding Antibody
Authors:Wiesmann, C.
Deposit date:2006-01-02
Release date:2006-02-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-function studies of two synthetic anti-vascular endothelial growth factor Fabs and comparison with the Avastin Fab.
J.Biol.Chem., 281, 2006