Author results

1DDF
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FAS DEATH DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor:FAS
Authors:Huang, B., Eberstadt, M., Olejniczak, E., Meadows, R.P., Fesik, S.
Deposit date:1996-11-08
Release date:1997-11-12
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR structure and mutagenesis of the Fas (APO-1/CD95) death domain.
Nature, 384, 1996
1Y7L
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O-ACETYLSERINE SULFHYDRYLASE COMPLEX
Descriptor:O-acetylserine sulfhydrylase, decamer fragment of Serine acetyltransferase, SULFATE ION
Authors:Huang, B., Vetting, M.W., Roderick, S.L.
Deposit date:2004-12-09
Release date:2005-04-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The active site of O-acetylserine sulfhydrylase is the anchor point for bienzyme complex formation with serine acetyltransferase.
J.Bacteriol., 187, 2005
3KXI
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CRYSTAL STRUCTURE OF SSGBP AND GDP COMPLEX
Descriptor:GTP-binding protein (HflX), MAGNESIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Huang, B., Li, X., Zhang, X.C., Rao, Z.
Deposit date:2009-12-03
Release date:2010-05-26
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Functional study on GTP hydrolysis by the GTP binding protein from Sulfolobus solfataricus, a member of the HflX family.
J.Biochem., 2010
3KXK
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CRYSTAL STRUCTURE OF SSGBP MUTATION VARIANT G235P
Descriptor:GTP-binding protein (HflX)
Authors:Huang, B., Li, X., Zhang, X.C., Rao, Z.
Deposit date:2009-12-03
Release date:2010-05-26
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Functional study on GTP hydrolysis by the GTP binding protein from Sulfolobus solfataricus, a member of the HflX family.
J.Biochem., 2010
3KXL
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CRYSTAL STRUCTURE OF SSGBP MUTATION VARIANT G235S
Descriptor:GTP-binding protein (HflX), THIOCYANATE ION
Authors:Huang, B., Li, X., Zhang, X.C., Rao, Z.
Deposit date:2009-12-03
Release date:2010-05-26
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Functional study on GTP hydrolysis by the GTP binding protein from Sulfolobus solfataricus, a member of the HflX family.
J.Biochem., 2010
5IE8
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THE PYRAZINOIC ACID BINDING DOMAIN OF RIBOSOMAL PROTEIN S1 FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:30S ribosomal protein S1
Authors:Huang, B., Liao, X.
Deposit date:2016-02-25
Release date:2016-03-16
Last modified:2016-12-14
Method:SOLUTION NMR
Cite:(1)H, (15)N, (13)C resonance assignments for pyrazinoic acid binding domain of ribosomal protein S1 from Mycobacterium tuberculosis
Biomol NMR Assign, 10, 2016
1A1W
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FADD DEATH EFFECTOR DOMAIN, F25Y MUTANT, NMR MINIMIZED AVERAGE STRUCTURE
Descriptor:FADD PROTEIN
Authors:Eberstadt, M., Huang, B., Chen, Z., Meadows, R.P., Ng, C., Fesik, S.W.
Deposit date:1997-12-18
Release date:1998-12-30
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR structure and mutagenesis of the FADD (Mort1) death-effector domain.
Nature, 392, 1998
1A1Z
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FADD DEATH EFFECTOR DOMAIN, F25G MUTANT, NMR MINIMIZED AVERAGE STRUCTURE
Descriptor:FADD PROTEIN
Authors:Eberstadt, M., Huang, B., Chen, Z., Meadows, R.P., Ng, C., Fesik, S.W.
Deposit date:1997-12-18
Release date:1998-12-30
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR structure and mutagenesis of the FADD (Mort1) death-effector domain.
Nature, 392, 1998
1IRS
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IRS-1 PTB DOMAIN COMPLEXED WITH A IL-4 RECEPTOR PHOSPHOPEPTIDE, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor:IRS-1, IL-4 RECEPTOR PHOSPHOPEPTIDE
Authors:Zhou, M.-M., Huang, B., Olejniczak, E.T., Meadows, R.P., Shuker, S.B., Miyazaki, M., Trub, T., Shoelson, S.E., Feisk, S.W.
Deposit date:1996-03-22
Release date:1997-05-15
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structural basis for IL-4 receptor phosphopeptide recognition by the IRS-1 PTB domain.
Nat.Struct.Biol., 3, 1996
1SSM
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SERINE ACETYLTRANSFERASE- APOENZYME (TRUNCATED)
Descriptor:Serine acetyltransferase
Authors:Olsen, L.R., Huang, B., Vetting, M.W., Roderick, S.L.
Deposit date:2004-03-24
Release date:2004-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of Serine Acetyltransferase in Complexes with CoA and its Cysteine Feedback Inhibitor
Biochemistry, 43, 2004
1SSQ
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SERINE ACETYLTRANSFERASE- COMPLEX WITH CYSTEINE
Descriptor:Serine acetyltransferase, MAGNESIUM ION, CYSTEINE
Authors:Olsen, L.R., Huang, B., Vetting, M.W., Roderick, S.L.
Deposit date:2004-03-24
Release date:2004-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of Serine Acetyltransferase in Complexes with CoA and its Cysteine Feedback Inhibitor
Biochemistry, 43, 2004
1SST
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SERINE ACETYLTRANSFERASE- COMPLEX WITH COA
Descriptor:Serine acetyltransferase, COENZYME A
Authors:Olsen, L.R., Huang, B., Vetting, M.W., Roderick, S.L.
Deposit date:2004-03-24
Release date:2004-06-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Serine Acetyltransferase in Complexes with CoA and its Cysteine Feedback Inhibitor
Biochemistry, 43, 2004
3HVN
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CRYSTAL STRUCTURE OF CYTOTOXIN PROTEIN SUILYSIN FROM STREPTOCOCCUS SUIS
Descriptor:Hemolysin, 1,1,1,3,3,3-hexafluoropropan-2-ol, HEPTANE-1,2,3-TRIOL
Authors:Xu, L., Huang, B., Du, H., Zhang, C.X., Xu, J., Li, X., Rao, Z.
Deposit date:2009-06-16
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.852 Å)
Cite:Crystal structure of cytotoxin protein suilysin from Streptococcus suis
Protein Cell, 1, 2010
3RLP
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CO-CRYSTAL STRUCTURE OF THE HSP90 ATP BINDING DOMAIN IN COMPLEX WITH 4-(2,4-DICHLORO-5-METHOXYPHENYL)-6-METHYLPYRIMIDIN-2-AMINE
Descriptor:Heat shock protein HSP 90-alpha, 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine, PHOSPHATE ION
Authors:Kung, P.-P., Sinnema, P.-J., Richardson, P., Hickey, M.J., Gajiwala, K.S., Wang, F., Huang, B., McClellan, G., Wang, J., Maegley, K., Bergqvist, S., Mehta, P.P., Kania, R.
Deposit date:2011-04-20
Release date:2011-06-08
Last modified:2015-02-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design strategies to target crystallographic waters applied to the Hsp90 molecular chaperone.
Bioorg.Med.Chem.Lett., 21, 2011
3RLQ
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CO-CRYSTAL STRUCTURE OF THE HSP90 ATP BINDING DOMAIN IN COMPLEX WITH 4-(2,4-DICHLORO-5-METHOXYPHENYL)-2-METHYL-7H-PYRROLO[2,3-D]PYRIMIDINE-5- CARBONITRILE
Descriptor:Heat shock protein HSP 90-alpha, 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, PHOSPHATE ION
Authors:Kung, P.-P., Sinnema, P.-J., Richardson, P., Hickey, M.J., Gajiwala, K.S., Wang, F., Huang, B., McClellan, G., Wang, J., Maegley, K., Bergqvist, S., Mehta, P.P., Kania, R.
Deposit date:2011-04-20
Release date:2011-06-08
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design strategies to target crystallographic waters applied to the Hsp90 molecular chaperone.
Bioorg.Med.Chem.Lett., 21, 2011
3RLR
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CO-CRYSTAL STRUCTURE OF THE HSP90 ATP BINDING DOMAIN IN COMPLEX WITH 4-(2,4-DICHLORO-5-METHOXYPHENYL)-2,6-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE
Descriptor:Heat shock protein HSP 90-alpha, 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, PHOSPHATE ION
Authors:Kung, P.-P., Sinnema, P.-J., Richardson, P., Hickey, M.J., Gajiwala, K.S., Wang, F., Huang, B., McClellan, G., Wang, J., Maegley, K., Bergqvist, S., Mehta, P.P., Kania, R.
Deposit date:2011-04-20
Release date:2011-06-08
Last modified:2015-01-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design strategies to target crystallographic waters applied to the Hsp90 molecular chaperone.
Bioorg.Med.Chem.Lett., 21, 2011
3VSF
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CRYSTAL STRUCTURE OF 1,3GAL43A, AN EXO-BETA-1,3-GALACTANASE FROM CLOSTRIDIUM THERMOCELLUM
Descriptor:Ricin B lectin, GLYCEROL
Authors:Jiang, D., Fan, J., Wang, X., Zhao, Y., Huang, B., Zhang, X.C.
Deposit date:2012-04-25
Release date:2012-12-05
Method:X-RAY DIFFRACTION (2.757 Å)
Cite:Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum
J.Struct.Biol., 180, 2012
3VSZ
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CRYSTAL STRUCTURE OF CT1,3GAL43A IN COMPLEX WITH GALACTAN
Descriptor:Ricin B lectin, GLYCEROL, BETA-D-GALACTOSE
Authors:Jiang, D., Fan, J., Wang, X., Zhao, Y., Huang, B., Zhang, X.C.
Deposit date:2012-05-18
Release date:2012-12-05
Method:X-RAY DIFFRACTION (2.893 Å)
Cite:Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum
J.Struct.Biol., 180, 2012
3VT0
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CRYSTAL STRUCTURE OF CT1,3GAL43A IN COMPLEX WITH LACTOSE
Descriptor:Ricin B lectin, BETA-LACTOSE, GLYCEROL
Authors:Jiang, D., Fan, J., Wang, X., Zhao, Y., Huang, B., Zhang, X.C.
Deposit date:2012-05-18
Release date:2012-12-05
Method:X-RAY DIFFRACTION (2.913 Å)
Cite:Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum
J.Struct.Biol., 180, 2012
3VT1
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CRYSTAL STRUCTURE OF CT1,3GAL43A IN COMPLEX WITH GALACTOSE
Descriptor:Ricin B lectin, BETA-D-GALACTOSE
Authors:Jiang, D., Fan, J., Wang, X., Zhao, Y., Huang, B., Zhang, X.C.
Deposit date:2012-05-18
Release date:2012-12-05
Method:X-RAY DIFFRACTION (3.187 Å)
Cite:Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum
J.Struct.Biol., 180, 2012
3VT2
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CRYSTAL STRUCTURE OF CT1,3GAL43A IN COMPLEX WITH ISOPROPY-BETA-D-THIOGALACTOSIDE
Descriptor:Ricin B lectin, ISOPROPYL-1-BETA-D-THIOGALACTOSIDE, GLYCEROL
Authors:Jiang, D., Fan, J., Wang, X., Zhao, Y., Huang, B., Zhang, X.C.
Deposit date:2012-05-18
Release date:2012-12-05
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum
J.Struct.Biol., 180, 2012
1IRB
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CARBOXYLIC ESTER HYDROLASE
Descriptor:PHOSPHOLIPASE A2, CALCIUM ION
Authors:Sundaralingam, M.
Deposit date:1997-08-13
Release date:1997-12-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phospholipase A2 engineering. Deletion of the C-terminus segment changes substrate specificity and uncouples calcium and substrate binding at the zwitterionic interface.
Biochemistry, 35, 1996
3R4M
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OPTIMIZATION OF POTENT, SELECTIVE, AND ORALLY BIOAVAILABLE PYRROLODINOPYRIMIDINE-CONTAINING INHIBITORS OF HEAT SHOCK PROTEIN 90. IDENTIFICATION OF DEVELOPMENT CANDIDATE 2-AMINO-4-{4-CHLORO-2-[2-(4-FLUORO-1H-PYRAZOL-1-YL)ETHOXY]-6-METHYLPHENYL}-N-(2,2-DIFLUOROPROPYL)-5,7-DIHYDRO-6H-PYRROLO[3,4-D]PYRIMIDINE-6-CARBOXAMIDE
Descriptor:Heat shock protein HSP 90-alpha, 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE
Authors:Almassy, R.J.
Deposit date:2011-03-17
Release date:2011-04-27
Last modified:2012-04-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
3R4N
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OPTIMIZATION OF POTENT, SELECTIVE, AND ORALLY BIOAVAILABLE PYRROLODINOPYRIMIDINE-CONTAINING INHIBITORS OF HEAT SHOCK PROTEIN 90. IDENTIFICATION OF DEVELOPMENT CANDIDATE 2-AMINO-4-{4-CHLORO-2-[2-(4-FLUORO-1H-PYRAZOL-1-YL)ETHOXY]-6-METHYLPHENYL}-N-(2,2-DIFLUOROPROPYL)-5,7-DIHYDRO-6H-PYRROLO[3,4-D]PYRIMIDINE-6-CARBOXAMIDE
Descriptor:Heat shock protein HSP 90-alpha, 4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine
Authors:Gajiwala, K.S.
Deposit date:2011-03-17
Release date:2011-04-27
Last modified:2012-04-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
3R4O
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OPTIMIZATION OF POTENT, SELECTIVE, AND ORALLY BIOAVAILABLE PYRROLODINOPYRIMIDINE-CONTAINING INHIBITORS OF HEAT SHOCK PROTEIN 90. IDENTIFICATION OF DEVELOPMENT CANDIDATE 2-AMINO-4-{4-CHLORO-2-[2-(4-FLUORO-1H-PYRAZOL-1-YL)ETHOXY]-6-METHYLPHENYL}-N-(2,2-DIFLUOROPROPYL)-5,7-DIHYDRO-6H-PYRROLO[3,4-D]PYRIMIDINE-6-CARBOXAMIDE
Descriptor:Heat shock protein HSP 90-alpha, 2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
Authors:Gajiwala, K.S.
Deposit date:2011-03-17
Release date:2011-04-27
Last modified:2012-04-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
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