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1X9B
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BU of 1x9b by Molmil
Solution NMR Structure of Protein Ta0354 from Thermoplasma acidophilum. Ontario Center for Structural Proteomics target TA0354_69_121; Northeast Structural Genomics Consortium Target TaT38.
Descriptor: hypothetical membrane protein ta0354_69_121
Authors:Wu, B, Yee, A, Huang, Y.J, Ramelot, T.A, Semesi, A, Lemak, A, Edward, A, Kennedy, M, Montelione, G.T, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP)
Deposit date:2004-08-20
Release date:2004-12-14
Last modified:2018-01-31
Method:SOLUTION NMR
Cite:Solution structure of hypothetical membrane protein ta0354_69_121 from Thermoplasma acidophilum
To be Published
3IPF
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BU of 3ipf by Molmil
Crystal structure of the Q251Q8_DESHY protein from Desulfitobacterium hafniense. Northeast Structural Genomics Consortium Target DhR8c.
Descriptor: uncharacterized protein
Authors:Vorobiev, S.M, Chen, Y, Seetharaman, J, Janjua, H, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Andre, I, Rossi, P, Kennedy, M, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-08-17
Release date:2009-09-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.988 Å)
Cite:Crystal structure of the Q251Q8_DESHY protein from Desulfitobacterium hafniense.
To be Published
2AKK
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BU of 2akk by Molmil
Solution structure of phnA-like protein rp4479 from Rhodopseudomonas palustris
Descriptor: phnA-like protein
Authors:Wu, B, Yee, A, Ramelot, T.A, Semesi, A, Lemak, A, Kennedy, M, Edward, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP)
Deposit date:2005-08-03
Release date:2006-08-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of phnA-like protein rp4479 from Rhodopseudomonas palustris
To be Published
1NE3
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BU of 1ne3 by Molmil
Solution structure of ribosomal protein S28E from Methanobacterium Thermoautotrophicum. Ontario Centre for Structural Proteomics target MTH0256_1_68; Northeast Structural Genomics Target TT744
Descriptor: 30S ribosomal protein S28E
Authors:Wu, B, Pineda-Lucena, A, Yee, A, Cort, J.R, Ramelot, T.A, Kennedy, M, Edwards, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-12-10
Release date:2003-12-23
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of ribosomal protein S28E from Methanobacterium thermoautotrophicum.
Protein Sci., 12, 2003
2KK4
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BU of 2kk4 by Molmil
Solution NMR structure of protein AF2094 from Archaeoglobus fulgidus. Northeast Structural Genomics Consotium (NESG) target GT2
Descriptor: Uncharacterized protein AF_2094
Authors:Lemak, A, Yee, A, Wu, B, Karra, M, Ramelot, T, Fares, C, Semesi, A, Kennedy, M, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-06-15
Release date:2009-07-07
Last modified:2020-02-26
Method:SOLUTION NMR
Cite:Solution NMR structure of proterin AF2094 from Archaeoglobus fulgidus
To be Published
2GRG
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BU of 2grg by Molmil
Solution NMR Structure of Protein YNR034W-A from Saccharomyces cerevisiae. Northeast Structural Genomics Consortium Target YT727; Ontario Center for Structural Proteomics Target yst6499.
Descriptor: hypothetical protein; Ynr034w-ap
Authors:Wu, B, Yee, A, Ramelot, T, Lemak, A, Semesi, A, Kennedy, M, Edward, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-04-24
Release date:2006-05-23
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution structure of hypothetical protein yst6499 from Saccharomyces cerevisiae/ Northeast Structural Genomics Consortium Target YT727/ Ontario Center for Structural Proteomics Target yst6499
To be Published
4R93
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BU of 4r93 by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-1-methyl-5-oxo-4-(((1S,3R)-3-(3-phenylureido)cyclohexyl)methyl)imidazolidin-2-iminium
Descriptor: 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Orth, P, Strickland, C, Caldwell, J.P.
Deposit date:2014-09-03
Release date:2014-11-05
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
2AYJ
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BU of 2ayj by Molmil
Solution structure of 50S ribosomal protein L40e from Sulfolobus solfataricus
Descriptor: 50S ribosomal protein L40e, ZINC ION
Authors:Wu, B, Yee, A, Lukin, J, Lemak, A, Semesi, A, Ramelot, T, Kennedy, M, Edward, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-09-07
Release date:2006-08-22
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution structure of ribosomal protein L40E, a unique C4 zinc finger protein encoded by archaeon Sulfolobus solfataricus
Protein Sci., 17, 2008
4JBV
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BU of 4jbv by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1268
Descriptor: 1-[(1-methylpiperidin-4-yl)methyl]-3-[6-(2-methylpropoxy)naphthalen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2013-02-20
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of potent and selective Plasmodium falciparum calcium-dependent protein kinase 4 (PfCDPK4) inhibitors that block the transmission of malaria to mosquitoes.
Eur.J.Med.Chem., 74, 2014
3LPI
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BU of 3lpi by Molmil
Structure of BACE Bound to SCH745132
Descriptor: Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
Authors:Strickland, C, Cumming, J.
Deposit date:2010-02-05
Release date:2010-04-14
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
3LPK
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BU of 3lpk by Molmil
Structure of BACE Bound to SCH747123
Descriptor: Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide
Authors:Strickland, C, Cumming, J.
Deposit date:2010-02-05
Release date:2010-04-14
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
3LNK
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BU of 3lnk by Molmil
Structure of BACE bound to SCH743813
Descriptor: Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
Authors:Orth, P, Cumming, J.
Deposit date:2010-02-02
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
3LPJ
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BU of 3lpj by Molmil
Structure of BACE Bound to SCH743641
Descriptor: Beta-secretase 1, L(+)-TARTARIC ACID, N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
Authors:Strickland, C, Cumming, J.
Deposit date:2010-02-05
Release date:2010-04-14
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
4R91
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BU of 4r91 by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(cyclopentylamino)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
Descriptor: (2E,5R)-5-(2-cyclohexylethyl)-5-{[(1S,3R)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Orth, P, Caldwell, J.P, Strickland, C.
Deposit date:2014-09-03
Release date:2014-11-05
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4R92
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BU of 4r92 by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(isonicotinamido)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
Descriptor: Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide
Authors:Orth, P, Strickland, C, Caldwell, J.P.
Deposit date:2014-09-03
Release date:2014-11-05
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4R95
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BU of 4r95 by Molmil
BACE-1 in complex with 2-(((1R,3S)-3-(((R)-4-(2-cyclohexylethyl)-2-iminio-1-methyl-5-oxoimidazolidin-4-yl)methyl)cyclohexyl)amino)quinolin-1-ium
Descriptor: (2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Orth, P, Strickland, C, Caldwell, J.P.
Deposit date:2014-09-03
Release date:2014-11-05
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4R8Y
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BU of 4r8y by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
Descriptor: (2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Orth, P, Caldwell, J.P, Strickland, C.
Deposit date:2014-09-03
Release date:2014-11-05
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014

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