Author results

2ID5
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CRYSTAL STRUCTURE OF THE LINGO-1 ECTODOMAIN
Descriptor:Leucine rich repeat neuronal 6A, N-ACETYL-D-GLUCOSAMINE, ALPHA-D-MANNOSE
Authors:Mosyak, L., Wood, A., Dwyer, B., Johnson, M., Stahl, M.L., Somers, W.S.
Deposit date:2006-09-14
Release date:2006-09-26
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:The structure of the Lingo-1 ectodomain, a module implicated in central nervous system repair inhibition.
J.Biol.Chem., 281, 2006
2ZM3
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COMPLEX STRUCTURE OF INSULIN-LIKE GROWTH FACTOR RECEPTOR AND ISOQUINOLINEDIONE INHIBITOR
Descriptor:Insulin-like growth factor 1 receptor, (4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
Authors:Xu, W., Mayer, S.C., Boschelli, F., Johnson, M., Dwyer, B.
Deposit date:2008-04-10
Release date:2008-06-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Lead identification to generate isoquinolinedione inhibitors of insulin-like growth factor receptor (IGF-1R) for potential use in cancer treatment
Bioorg.Med.Chem.Lett., 18, 2008
3RKZ
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DISCOVERY OF A STABLE MACROCYCLIC O-AMINOBENZAMIDE HSP90 INHIBITOR CAPABLE OF SIGNIFICANTLY DECREASING TUMOR VOLUME IN A MOUSE XENOGRAFT MODEL.
Descriptor:Heat shock protein HSP 90-alpha, (5R,6S)-3-(L-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide
Authors:Zapf, C.W., Bloom, J.D., Li, Z., Dushin, R.G., Nittoli, T., Otteng, M., Nikitenko, A., Golas, J.M., Liu, H., Lucas, J., Boschelli, F., Vogan, E., Olland, A., Johnson, M., Levin, J.I.
Deposit date:2011-04-18
Release date:2011-07-13
Last modified:2011-08-03
Method:X-RAY DIFFRACTION (1.5693 Å)
Cite:Discovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor which significantly decreases tumor volume in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 21, 2011
1DNU
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STRUCTURAL ANALYSES OF HUMAN MYELOPEROXIDASE-THIOCYANATE COMPLEX
Descriptor:MYELOPEROXIDASE, THIOCYANATE ION, SULFATE ION, ...
Authors:Blair-Johnson, M., Fiedler, T.J., Fenna, R.E.
Deposit date:1999-12-16
Release date:2001-12-21
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Human myeloperoxidase: structure of a cyanide complex and its interaction with bromide and thiocyanate substrates at 1.9 A resolution.
Biochemistry, 40, 2001
1DNW
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HUMAN MYELOPEROXIDASE-CYANIDE-THIOCYANATE COMPLEX
Descriptor:MYELOPEROXIDASE, THIOCYANATE ION, SULFATE ION, ...
Authors:Blair-Johnson, M., Fiedler, T.J., Fenna, R.E.
Deposit date:1999-12-16
Release date:2001-12-21
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human myeloperoxidase: structure of a cyanide complex and its interaction with bromide and thiocyanate substrates at 1.9 A resolution.
Biochemistry, 40, 2001
1Q8I
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CRYSTAL STRUCTURE OF ESCHERICHIA COLI DNA POLYMERASE II
Descriptor:DNA polymerase II
Authors:Brunzelle, J.S., Muchmore, C.R.A., Mashhoon, N., Blair-Johnson, M., Shuvalova, L., Goodman, M.F., Anderson, W.F., Midwest Center for Structural Genomics (MCSG)
Deposit date:2003-08-21
Release date:2004-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Escherichia Coli DNA Polymerase II
To be Published
3BM9
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DISCOVERY OF BENZISOXAZOLES AS POTENT INHIBITORS OF CHAPERONE HSP90
Descriptor:Heat shock protein HSP 90-alpha, 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol
Authors:Gopalsamy, A., Shi, M., Vogan, E.M., Golas, J., Jacob, J., Johnson, J., Lee, F., Nilakantan, R., Peterson, R., Svenson, K., Tam, M.S., Wen, Y., Chopra, R., Ellingboe, J., Arndt, K., Boschelli, F.
Deposit date:2007-12-12
Release date:2008-07-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90.
J.Med.Chem., 51, 2008
3BMY
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DISCOVERY OF BENZISOXAZOLES AS POTENT INHIBITORS OF CHAPERONE HSP90
Descriptor:Heat shock protein HSP 90-alpha, 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol
Authors:Gopalsamy, A., Shi, M., Vogan, E.M., Golas, J., Jacob, J., Johnson, J., Lee, F., Nilakantan, R., Peterson, R., Svenson, K., Tam, M.S., Wen, Y., Chopra, R., Ellingboe, J., Arndt, K., Boschelli, F.
Deposit date:2007-12-13
Release date:2008-07-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90.
J.Med.Chem., 51, 2008
3F5P
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COMPLEX STRUCTURE OF INSULIN-LIKE GROWTH FACTOR RECEPTOR AND 3-CYANOQUINOLINE INHIBITOR
Descriptor:Insulin-like growth factor 1 receptor, 4-[[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[3-(2-hydroxyethyl-methyl-amino)propoxy]-6-methoxy-quinoline-3-carbonitrile
Authors:Xu, W., Miller, L.M., Mayer, S.C., Berger, D.M., Boschelli, D.H., Boschelli, F.
Deposit date:2008-11-04
Release date:2008-12-30
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Lead identification to generate 3-cyanoquinoline inhibitors of insulin-like growth factor receptor (IGF-1R) for potential use in cancer treatment
Bioorg.Med.Chem.Lett., 19, 2009
5F3B
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STRUCTURE OF MYOSTATIN IN COMPLEX WITH CHIMERIC RK35 ANTIBODY
Descriptor:RK35 Chimeric antibody heavy chain, RK35 Chimeric antibody light chain, Growth/differentiation factor 8, ...
Authors:Parris, K.D., Mosyak, L.
Deposit date:2015-12-02
Release date:2016-09-28
Last modified:2016-10-12
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Beyond CDR-grafting: Structure-guided humanization of framework and CDR regions of an anti-myostatin antibody.
Mabs, 8, 2016
5F3H
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STRUCTURE OF MYOSTATIN IN COMPLEX WITH HUMANIZED RK35 ANTIBODY
Descriptor:humanized RK35 antibody heavy chain, humanized RK35 antibody light chain, Growth/differentiation factor 8
Authors:Parris, K.D., Mosyak, L.
Deposit date:2015-12-02
Release date:2016-09-28
Last modified:2016-10-12
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Beyond CDR-grafting: Structure-guided humanization of framework and CDR regions of an anti-myostatin antibody.
Mabs, 8, 2016
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
3IN4
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BACE1 WITH COMPOUND 38
Descriptor:Beta-secretase 1, (5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-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 (2.3 Å)
Cite:Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem., 18, 2010
6HSV
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ENGINEERED HIGHER-ORDER ASSEMBLY OF CHOLERA TOXIN B SUBUNITS VIA THE ADDITION OF C-TERMINAL PARALLEL COILED-COILED DOMAINS
Descriptor:Toxin B subunit, PHOSPHATE ION, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Pearson, A.R., Turnbull, W.B., Ross, J.F., Trinh, C.H., Webb, M.E.
Deposit date:2018-10-01
Release date:2019-03-20
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Directed Assembly of Homopentameric Cholera Toxin B-Subunit Proteins into Higher-Order Structures Using Coiled-Coil Appendages.
J.Am.Chem.Soc., 141, 2019
1D5L
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CRYSTAL STRUCTURE OF CYANIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5
Descriptor:MYELOPEROXIDASE, CHLORIDE ION, SULFATE ION, ...
Authors:Fiedler, T.J., Davey, C.A., Fenna, R.E.
Deposit date:1999-10-07
Release date:2001-12-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human myeloperoxidase: structure of a cyanide complex and its interaction with bromide and thiocyanate substrates at 1.9 A resolution.
Biochemistry, 40, 2001
1D7W
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CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C COMPLEXED WITH CYANIDE AND BROMIDE AT PH 4.0
Descriptor:MYELOPEROXIDASE, BROMIDE ION, SULFATE ION, ...
Authors:Fiedler, T.J., Fenna, R.E.
Deposit date:1999-10-20
Release date:2001-12-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human myeloperoxidase: structure of a cyanide complex and its interaction with bromide and thiocyanate substrates at 1.9 A resolution.
Biochemistry, 40, 2001
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
3L38
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BACE1 IN COMPLEX WITH THE AMINOPYRIDINE COMPOUND 44
Descriptor:Beta-secretase 1, 6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine
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 (2.1 Å)
Cite:Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3L3A
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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
3RM4
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AMCASE IN COMPLEX WITH COMPOUND 1
Descriptor:Acidic mammalian chitinase, 5-{4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl}-4H-1,2,4-triazol-3-amine
Authors:Olland, A.
Deposit date:2011-04-20
Release date:2011-08-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification and Characterization of Acidic Mammalian Chitinase Inhibitors
J.Med.Chem., 53, 2010
3RM8
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AMCASE IN COMPLEX WITH COMPOUND 2
Descriptor:Acidic mammalian chitinase, 2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole
Authors:Olland, A.
Deposit date:2011-04-20
Release date:2011-08-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification and Characterization of Acidic Mammalian Chitinase Inhibitors
J.Med.Chem., 53, 2010
3RM9
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AMCASE IN COMPLEX WITH COMPOUND 3
Descriptor:Acidic mammalian chitinase, 4-(4-chlorophenyl)piperazine-1-carboximidamide
Authors:Olland, A.
Deposit date:2011-04-20
Release date:2011-08-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification and Characterization of Acidic Mammalian Chitinase Inhibitors
J.Med.Chem., 53, 2010
3RME
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AMCASE IN COMPLEX WITH COMPOUND 5
Descriptor:Acidic mammalian chitinase, GLYCEROL, N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
Authors:Olland, A.
Deposit date:2011-04-20
Release date:2011-08-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification and Characterization of Acidic Mammalian Chitinase Inhibitors
J.Med.Chem., 53, 2010
3S7L
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PYRAZOLYL AND THIENYL AMINOHYDANTOINS AS POTENT BACE1 INHIBITORS
Descriptor:Beta-secretase 1, (5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
Authors:Chopra, R., Olland, A., Svenson, K.
Deposit date:2011-05-26
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.162 Å)
Cite:New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: Exploring the S2' region.
Bioorg.Med.Chem.Lett., 21, 2011
3S7M
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PYRAZOLYL AND THIENYL AMINOHYDANTOINS AS POTENT BACE1 INHIBITORS
Descriptor:Beta-secretase 1, (5S)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4H-imidazol-4-one
Authors:Chopra, R., Olland, A., Svenson, K.
Deposit date:2011-05-26
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: Exploring the S2' region.
Bioorg.Med.Chem.Lett., 21, 2011
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