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5VXD
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CRYSTAL STRUCTURE OF XANTHOMONAS CAMPESTRIS OLEA E117A
Descriptor:3-oxoacyl-[ACP] synthase III, GLYCEROL
Authors:Jensen, M.R., Wilmot, C.M.
Deposit date:2017-05-23
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis.
Biochem. J., 474, 2017
5VXE
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CRYSTAL STRUCTURE OF XANTHOMONAS CAMPESTRIS OLEA E117A BOUND WITH CERULENIN
Descriptor:3-oxoacyl-[ACP] synthase III, (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, ...
Authors:Jensen, M.R., Wilmot, C.M.
Deposit date:2017-05-23
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis.
Biochem. J., 474, 2017
5VXF
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CRYSTAL STRUCTURE OF XANTHOMONAS CAMPESTRIS OLEA E117Q
Descriptor:3-oxoacyl-[ACP] synthase III, GLYCEROL
Authors:Jensen, M.R., Wilmot, C.M.
Deposit date:2017-05-23
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis.
Biochem. J., 474, 2017
5VXG
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CRYSTAL STRUCTURE OF XANTHOMONAS CAMPESTRIS OLEA E117Q BOUND WITH CERULENIN
Descriptor:3-oxoacyl-[ACP] synthase III, (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, ...
Authors:Jensen, M.R., Wilmot, C.M.
Deposit date:2017-05-23
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis.
Biochem. J., 474, 2017
5VXH
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CRYSTAL STRUCTURE OF XANTHOMONAS CAMPESTRIS OLEA E117D
Descriptor:3-oxoacyl-[ACP] synthase III, GLYCEROL, PHOSPHATE ION
Authors:Jensen, M.R., Wilmot, C.M.
Deposit date:2017-05-23
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis.
Biochem. J., 474, 2017
5VXI
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CRYSTAL STRUCTURE OF XANTHOMONAS CAMPESTRIS OLEA E117D BOUND WITH CERULENIN
Descriptor:3-oxoacyl-[ACP] synthase III, MANGANESE (II) ION, (2S, ...
Authors:Jensen, M.R., Wilmot, C.M.
Deposit date:2017-05-23
Release date:2017-10-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis.
Biochem. J., 474, 2017
6B2R
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CRYSTAL STRUCTURE OF XANTHOMONAS CAMPESTRIS OLEA H285A
Descriptor:3-oxoacyl-[ACP] synthase III, GLYCEROL
Authors:Jensen, M.R., Goblirsch, B.R., Esler, M.A., Christenson, J.K., Mohamed, F.A., Wackett, L.P., Wilmot, C.M.
Deposit date:2017-09-20
Release date:2018-02-28
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The role of OleA His285 in orchestration of long-chain acyl-coenzyme A substrates.
FEBS Lett., 592, 2018
6B2S
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CRYSTAL STRUCTURE OF XANTHOMONAS CAMPESTRIS OLEA H285N
Descriptor:3-oxoacyl-[ACP] synthase III, GLYCEROL, PHOSPHATE ION
Authors:Jensen, M.R., Goblirsch, B.R., Esler, M.A., Christenson, J.K., Mohamed, F.A., Wackett, L.P., Wilmot, C.M.
Deposit date:2017-09-20
Release date:2018-02-28
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:The role of OleA His285 in orchestration of long-chain acyl-coenzyme A substrates.
FEBS Lett., 592, 2018
6B2T
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CRYSTAL STRUCTURE OF XANTHOMONAS CAMPESTRIS OLEA H285D
Descriptor:3-oxoacyl-[ACP] synthase III, PHOSPHATE ION, GLYCEROL
Authors:Jensen, M.R., Goblirsch, B.R., Esler, M.A., Christenson, J.K., Mohamed, F.A., Wackett, L.P., Wilmot, C.M.
Deposit date:2017-09-20
Release date:2018-02-28
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The role of OleA His285 in orchestration of long-chain acyl-coenzyme A substrates.
FEBS Lett., 592, 2018
6B2U
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CRYSTAL STRUCTURE OF XANTHOMONAS CAMPESTRIS OLEA H285N WITH CERULENIN
Descriptor:3-oxoacyl-[ACP] synthase III, MANGANESE (II) ION, (2S, ...
Authors:Jensen, M.R., Goblirsch, B.R., Esler, M.A., Christenson, J.K., Mohamed, F.A., Wackett, L.P., Wilmot, C.M.
Deposit date:2017-09-20
Release date:2018-02-28
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The role of OleA His285 in substrate coordination of long-chain acyl-CoA
To be published
4XW2
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STRUCTURAL BASIS FOR SIMVASTATIN COMPETITIVE ANTAGONISM OF COMPLEMENT RECEPTOR 3
Descriptor:Integrin alpha-M, MAGNESIUM ION, Simvastatin acid
Authors:Bajic, G., Jensen, M.R., Vorup-Jensen, T., Andersen, G.R.
Deposit date:2015-01-28
Release date:2016-01-13
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural Basis for Simvastatin Competitive Antagonism of Complement Receptor 3.
J.Biol.Chem., 291, 2016
2K6T
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SOLUTION STRUCTURE OF THE RELAXIN-LIKE FACTOR
Descriptor:Insulin-like 3 A chain, Insulin-like 3 B chain
Authors:Bullesbach, E.E., Hass, M.A.S., Jensen, M.R., Hansen, D.F., Kristensen, S.M., Schwabe, C., Led, J.J.
Deposit date:2008-07-23
Release date:2008-12-16
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of a conformationally restricted fully active derivative of the human relaxin-like factor
Biochemistry, 47, 2008
2K6U
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THE SOLUTION STRUCTURE OF A CONFORMATIONALLY RESTRICTED FULLY ACTIVE DERIVATIVE OF THE HUMAN RELAXIN-LIKE FACTOR (RLF)
Descriptor:Insulin-like 3 A chain, Insulin-like 3 B chain
Authors:Bullesbach, E.E., Hass, M.A.S., Jensen, M.R., Hansen, D.F., Kristensen, S.M., Schwabe, C., Led, J.J.
Deposit date:2008-07-24
Release date:2008-12-16
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of a conformationally restricted fully active derivative of the human relaxin-like factor
Biochemistry, 47, 2008
4CO6
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CRYSTAL STRUCTURE OF THE NIPAH VIRUS RNA FREE NUCLEOPROTEIN- PHOSPHOPROTEIN COMPLEX
Descriptor:NUCLEOPROTEIN, PHOSPHOPROTEIN, CHLORIDE ION, ...
Authors:Yabukarksi, F., Lawrence, P., Tarbouriech, N., Bourhis, J.M., Jensen, M.R., Ruigrok, R.W.H., Blackledge, M., Volchkov, V., Jamin, M.
Deposit date:2014-01-27
Release date:2014-08-13
Last modified:2014-09-17
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Structure of Nipah Virus Unassembled Nucleoprotein in Complex with its Viral Chaperone.
Nat.Struct.Mol.Biol., 21, 2014
4FCP
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TARGETTING CONSERVED WATER MOLECULES: DESIGN OF 4-ARYL-5-CYANOPYRROLO [2,3-D] PYRIMIDINE HSP90 INHIBITORS USING FRAGMENT-BASED SCREENING AND STRUCTURE-BASED OPTIMIZATION
Descriptor:Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine
Authors:Davies, N.G.M., Browne, H., Davies, B., Foloppe, N., Geoffrey, S., Gibbons, B., Hart, T., Drysdale, M., Mansell, H., Massey, A., Matassova, N., Moore, J.D., Murray, J., Pratt, R., Ray, S., Roughley, S.D., Jensen, M.R., Schoepfer, J., Scriven, K., Simmonite, H., Stokes, S., Surgenor, A., Webb, P., Wright, L., Brough, P.
Deposit date:2012-05-25
Release date:2012-10-24
Last modified:2012-11-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
4FCQ
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TARGETING CONSERVED WATER MOLECULES: DESIGN OF 4-ARYL-5-CYANOPYRROLO[2,3-D]PYRIMIDINE HSP90 INHIBITORS USING FRAGMENT-BASED SCREENING AND STRUCTURE-BASED OPTIMIZATION
Descriptor:Heat shock protein HSP 90-alpha, 4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Authors:Davies, N.G., Browne, H., Davis, B., Foloppe, N., Geoffrey, S., Gibbons, B., Hart, T., Drysdale, M.J., Mansell, H., Massey, A., Matassova, N., Moore, J.D., Murray, J., Pratt, R., Ray, S., Roughley, S.D., Jensen, M.R., Schoepfer, J., Scriven, K., Simmonite, H., Stokes, S., Surgenor, A., Webb, P., Wright, L., Brough, P.
Deposit date:2012-05-25
Release date:2012-10-24
Last modified:2012-11-07
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
4FCR
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TARGETING CONSERVED WATER MOLECULES: DESIGN OF 4-ARYL-5-CYANOPYRROLO[2,3-D]PYRIMIDINE HSP90 INHIBITORS USING FRAGMENT-BASED SCREENING AND STRUCTURE-BASED OPTIMIZATION
Descriptor:Heat shock protein HSP 90-alpha, 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide
Authors:Davies, N.G., Browne, H., Davis, B., Foloppe, N., Geoffrey, S., Gibbons, B., Hart, T., Drysdale, M.J., Mansell, H., Massey, A., Matassova, N., Moore, J.D., Murray, J., Pratt, R., Ray, S., Roughley, S.D., Jensen, M.R., Schoepfer, J., Scriven, K., Simmonite, H., Stokes, S., Surgenor, A., Webb, P., Wright, L., Brough, P.
Deposit date:2012-05-25
Release date:2012-10-24
Last modified:2012-11-07
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
2WI1
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ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE INHIBITORS OF THE HSP90 CHAPERONE
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine
Authors:Brough, P.A., Barril, X., Borgognoni, J., Chene, P., Davies, N.G.M., Davis, B., Drysdale, M.J., Dymock, B., Eccles, S.A., Garcia-Echeverria, C., Fromont, C., Hayes, A., Hubbard, R.E., Jordan, A.M., Rugaard-Jensen, M., Massey, A., Merret, A., Padfield, A., Parsons, R., Radimerski, T., Raynaud, F.I., Robertson, A., Roughley, S.D., Schoepfer, J., Simmonite, H., Surgenor, A., Valenti, M., Walls, S., Webb, P., Wood, M., Workman, P., Wright, L.M.
Deposit date:2009-05-08
Release date:2009-07-28
Last modified:2011-08-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
2WI2
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ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE INHIBITORS OF THE HSP90 CHAPERONE
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, DIMETHYL SULFOXIDE, 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE
Authors:Brough, P.A., Barril, X., Borgognoni, J., Chene, P., Davies, N.G.M., Davis, B., Drysdale, M.J., Dymock, B., Eccles, S.A., Garcia-Echeverria, C., Fromont, C., Hayes, A., Hubbard, R.E., Jordan, A.M., Rugaard-Jensen, M., Massey, A., Merret, A., Padfield, A., Parsons, R., Radimerski, T., Raynaud, F.I., Robertson, A., Roughley, S.D., Schoepfer, J., Simmonite, H., Surgenor, A., Valenti, M., Walls, S., Webb, P., Wood, M., Workman, P., Wright, L.M.
Deposit date:2009-05-08
Release date:2009-07-28
Last modified:2011-08-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
2WI3
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ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE INHIBITORS OF THE HSP90 CHAPERONE
Descriptor:HEAT SHOCK PROTEIN, HSP 90-ALPHA, MAGNESIUM ION, ...
Authors:Brough, P.A., Barril, X., Borgognoni, J., Chene, P., Davies, N.G.M., Davis, B., Drysdale, M.J., Dymock, B., Eccles, S.A., Garcia-Echeverria, C., Fromont, C., Hayes, A., Hubbard, R.E., Jordan, A.M., Rugaard-Jensen, M., Massey, A., Merret, A., Padfield, A., Parsons, R., Radimerski, T., Raynaud, F.I., Robertson, A., Roughley, S.D., Schoepfer, J., Simmonite, H., Surgenor, A., Valenti, M., Walls, S., Webb, P., Wood, M., Workman, P., Wright, L.M.
Deposit date:2009-05-08
Release date:2009-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
2WI4
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ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE INHIBITORS OF THE HSP90 CHAPERONE
Descriptor:HEAT SHOCK PROTEIN, HSP 90-ALPHA, 4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine
Authors:Brough, P.A., Barril, X., Borgognoni, J., Chene, P., Davies, N.G.M., Davis, B., Drysdale, M.J., Dymock, B., Eccles, S.A., Garcia-Echeverria, C., Fromont, C., Hayes, A., Hubbard, R.E., Jordan, A.M., Rugaard-Jensen, M., Massey, A., Merret, A., Padfield, A., Parsons, R., Radimerski, T., Raynaud, F.I., Robertson, A., Roughley, S.D., Schoepfer, J., Simmonite, H., Surgenor, A., Valenti, M., Walls, S., Webb, P., Wood, M., Workman, P., Wright, L.M.
Deposit date:2009-05-08
Release date:2009-07-28
Last modified:2011-08-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
2WI5
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ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE INHIBITORS OF THE HSP90 CHAPERONE
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE
Authors:Brough, P.A., Barril, X., Borgognoni, J., Chene, P., Davies, N.G.M., Davis, B., Drysdale, M.J., Dymock, B., Eccles, S.A., Garcia-Echeverria, C., Fromont, C., Hayes, A., Hubbard, R.E., Jordan, A.M., Rugaard-Jensen, M., Massey, A., Merret, A., Padfield, A., Parsons, R., Radimerski, T., Raynaud, F.I., Robertson, A., Roughley, S.D., Schoepfer, J., Simmonite, H., Surgenor, A., Valenti, M., Walls, S., Webb, P., Wood, M., Workman, P., Wright, L.M.
Deposit date:2009-05-08
Release date:2009-07-28
Last modified:2011-08-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
2WI6
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ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE INHIBITORS OF THE HSP90 CHAPERONE
Descriptor:HEAT SHOCK PROTEIN, HSP90-ALPHA, 2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE
Authors:Brough, P.A., Barril, X., Borgognoni, J., Chene, P., Davies, N.G.M., Davis, B., Drysdale, M.J., Dymock, B., Eccles, S.A., Garcia-Echeverria, C., Fromont, C., Hayes, A., Hubbard, R.E., Jordan, A.M., Rugaard-Jensen, M., Massey, A., Merret, A., Padfield, A., Parsons, R., Radimerski, T., Raynaud, F.I., Robertson, A., Roughley, S.D., Schoepfer, J., Simmonite, H., Surgenor, A., Valenti, M., Walls, S., Webb, P., Wood, M., Workman, P., Wright, L.M.
Deposit date:2009-05-08
Release date:2009-07-28
Last modified:2011-08-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
2WI7
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ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE INHIBITORS OF THE HSP90 CHAPERONE
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
Authors:Brough, P.A., Barril, X., Borgognoni, J., Chene, P., Davies, N.G.M., Davis, B., Drysdale, M.J., Dymock, B., Eccles, S.A., Garcia-Echeverria, C., Fromont, C., Hayes, A., Hubbard, R.E., Jordan, A.M., Rugaard-Jensen, M., Massey, A., Merret, A., Padfield, A., Parsons, R., Radimerski, T., Raynaud, F.I., Robertson, A., Roughley, S.D., Schoepfer, J., Simmonite, H., Surgenor, A., Valenti, M., Walls, S., Webb, P., Wood, M., Workman, P., Wright, L.M.
Deposit date:2009-05-08
Release date:2009-07-28
Last modified:2011-08-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
3ZDO
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TETRAMERIZATION DOMAIN OF MEASLES VIRUS PHOSPHOPROTEIN
Descriptor:PHOSPHOPROTEIN, (4R)-2-METHYLPENTANE-2,4-DIOL
Authors:Communie, G., Crepin, T., Jensen, M.R., Blackledge, M., Ruigrok, R.W.H.
Deposit date:2012-11-29
Release date:2013-04-24
Last modified:2013-06-12
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure of the Tetramerization Domain of Measles Virus Phosphoprotein.
J.Virol., 87, 2013
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