Author results

4CZS
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DISCOVERY OF GLYCOMIMETIC LIGANDS VIA GENETICALLY-ENCODED LIBRARY OF PHAGE DISPLAYING MANNOSE-PEPTIDES
Descriptor:CONCANAVALIN-A, MAN-WYD, CALCIUM ION, ...
Authors:Ng, S., Lin, E., Tjhung, K.F., Gerlits, O., Sood, A., Kasper, B., Deng, L., Kitov, P.I., Matochko, W.L., Paschal, B.M., Noren, C.J., Klassen, J., Mahal, L.K., Coates, L., Woods, R.J., Derda, R.
Deposit date:2014-04-22
Release date:2015-04-22
Last modified:2015-07-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Genetically-Encoded Fragment-Based Discovery of Glycopeptide Ligands for Carbohydrate-Binding Proteins.
J.Am.Chem.Soc., 137, 2015
1XG5
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STRUCTURE OF HUMAN PUTATIVE DEHYDROGENASE MGC4172 IN COMPLEX WITH NADP
Descriptor:ARPG836, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ACETIC ACID
Authors:Kavanagh, K., Ng, S., Sharma, S., Vedadi, M., von Delft, F., Walker, J.R., dhe Paganon, S., Bray, J., Oppermann, U., Edwards, A., Arrowsmith, C., Sundstrom, M., Structural Genomics Consortium (SGC)
Deposit date:2004-09-16
Release date:2004-10-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural Genomics Consortium: Structure of the putative human dehydrogenase MGC4172
To be Published
1YSG
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL IN COMPLEX WITH "SAR BY NMR" LIGANDS
Descriptor:Apoptosis regulator Bcl-X, 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID, 5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL
Authors:Oltersdorf, T., Elmore, S.W., Shoemaker, A.R., Armstrong, R.C., Augeri, D.J., Belli, B.A., Bruncko, M., Deckwerth, T.L., Dinges, J., Hajduk, P.J., Joseph, M.K., Kitada, S., Korsmeyer, S.J., Kunzer, A.R., Letai, A., Li, C., Mitten, M.J., Nettesheim, D.G., Ng, S., Nimmer, P.M., O'Connor, J.M., Oleksijew, A., Petros, A.M., Reed, J.C., Shen, W., Tahir, S.K., Thompson, C.B., Tomaselli, K.J., Wang, B., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H.
Deposit date:2005-02-08
Release date:2005-06-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSI
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL IN COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-X, N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
Authors:Oltersdorf, T., Elmore, S.W., Shoemaker, A.R., Armstrong, R.C., Augeri, D.J., Belli, B.A., Bruncko, M., Deckwerth, T.L., Dinges, J., Hajduk, P.J., Joseph, M.K., Kitada, S., Korsmeyer, S.J., Kunzer, A.R., Letai, A., Li, C., Mitten, M.J., Nettesheim, D.G., Ng, S., Nimmer, P.M., O'Connor, J.M., Oleksijew, A., Petros, A.M., Reed, J.C., Shen, W., Tahir, S.K., Thompson, C.B., Tomaselli, K.J., Wang, B., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H.
Deposit date:2005-02-08
Release date:2005-06-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSN
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL COMPLEXED WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-X, 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
Authors:Oltersdorf, T., Elmore, S.W., Shoemaker, A.R., Armstrong, R.C., Augeri, D.J., Belli, B.A., Bruncko, M., Deckwerth, T.L., Dinges, J., Hajduk, P.J., Joseph, M.K., Kitada, S., Korsmeyer, S.J., Kunzer, A.R., Letai, A., Li, C., Mitten, M.J., Nettesheim, D.G., Ng, S., Nimmer, P.M., O'Connor, J.M., Oleksijew, A., Petros, A.M., Reed, J.C., Shen, W., Tahir, S.K., Thompson, C.B., Tomaselli, K.J., Wang, B., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H.
Deposit date:2005-02-08
Release date:2005-06-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSW
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-2 COMPLEXED WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-2, 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
Authors:Oltersdorf, T., Elmore, S.W., Shoemaker, A.R., Armstrong, R.C., Augeri, D.J., Belli, B.A., Bruncko, M., Deckwerth, T.L., Dinges, J., Hajduk, P.J., Joseph, M.K., Kitada, S., Korsmeyer, S.J., Kunzer, A.R., Letai, A., Li, C., Mitten, M.J., Nettesheim, D.G., Ng, S., Nimmer, P.M., O'Connor, J.M., Oleksijew, A., Petros, A.M., Reed, J.C., Shen, W., Tahir, S.K., Thompson, C.B., Tomaselli, K.J., Wang, B., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H.
Deposit date:2005-02-09
Release date:2005-06-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSX
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SOLUTION STRUCTURE OF DOMAIN 3 FROM HUMAN SERUM ALBUMIN COMPLEXED TO AN ANTI-APOPTOTIC LIGAND DIRECTED AGAINST BCL-XL AND BCL-2
Descriptor:Serum albumin, 4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE
Authors:Oltersdorf, T., Elmore, S.W., Shoemaker, A.R., Armstrong, R.C., Augeri, D.J., Belli, B.A., Bruncko, M., Deckwerth, T.L., Dinges, J., Hajduk, P.J., Joseph, M.K., Kitada, S., Korsmeyer, S.J., Kunzer, A.R., Letai, A., Li, C., Mitten, M.J., Nettesheim, D.G., Ng, S., Nimmer, P.M., O'Connor, J.M., Oleksijew, A., Petros, A.M., Reed, J.C., Shen, W., Tahir, S.K., Thompson, C.B., Tomaselli, K.J., Wang, B., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H.
Deposit date:2005-02-09
Release date:2005-06-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YXM
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CRYSTAL STRUCTURE OF PEROXISOMAL TRANS 2-ENOYL COA REDUCTASE
Descriptor:peroxisomal trans 2-enoyl CoA reductase, SULFATE ION, PHOSPHATE ION, ...
Authors:Jansson, A., Ng, S., Arrowsmith, C., Sharma, S., Edwards, A.M., Von Delft, F., Sundstrom, M., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2005-02-22
Release date:2005-03-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of perixomal trans 2-enoyl CoA reductase (PECRA)
To be Published
1YB1
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CRYSTAL STRUCTURE OF HUMAN 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE XI
Descriptor:17-beta-hydroxysteroid dehydrogenase type XI, CHLORIDE ION, SULFATE ION, ...
Authors:Lukacik, P., Bunkoczi, G., Kavanagh, K., Ng, S., von Delft, F., Bray, J., Edwards, A., Arrowsmith, C., Sundstrom, M., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2004-12-18
Release date:2004-12-28
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of human 17-beta-hydroxysteroid dehydrogenase type XI.
To be Published
1Z6Z
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CRYSTAL STRUCTURE OF HUMAN SEPIAPTERIN REDUCTASE IN COMPLEX WITH NADP+
Descriptor:Sepiapterin reductase, SULFATE ION, CHLORIDE ION, ...
Authors:Ugochukwu, E., Kavanagh, K., Ng, S., Arrowsmith, C., Edwards, A., Sundstrom, M., von Delft, F., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2005-03-23
Release date:2005-04-05
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Human Sepiapterin Reductase
To be Published
2BLE
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STRUCTURE OF HUMAN GUANOSINE MONOPHOSPHATE REDUCTASE GMPR1 IN COMPLEX WITH GMP
Descriptor:GMP REDUCTASE I, GUANOSINE-5'-MONOPHOSPHATE, SODIUM ION
Authors:Bunkoczi, G., Haroniti, A., Ng, S., von Delft, F., Oppermann, U., Arrowsmith, C., Sundstrom, M., Edwards, A., Gileadi, O.
Deposit date:2005-03-03
Release date:2005-03-09
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of Human Guanosine Monophosphate Reductase Gmpr1 in Complex with Gmp
To be Published
2BWG
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STRUCTURE OF HUMAN GUANOSINE MONOPHOSPHATE REDUCTASE GMPR1 IN COMPLEX WITH GMP
Descriptor:GMP REDUCTASE I, POTASSIUM ION, GUANOSINE-5'-MONOPHOSPHATE
Authors:Bunkoczi, G., Haroniti, A., Ng, S., von Delft, F., Gileadi, O., Oppermann, U., Arrowsmith, C., Edwards, A., Sundstrom, M.
Deposit date:2005-07-13
Release date:2005-07-20
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Human Guanosine Monophosphate Reductase Gmpr1 in Complex with Gmp
To be Published
5U07
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CRISPR RNA-GUIDED SURVEILLANCE COMPLEX
Descriptor:CRISPR-associated protein, Cse3 family, Cse2, ...
Authors:Xiao, Y., Luo, M., Hayes, R.P., Kim, J., Ng, S., Ding, F., Liao, M., Ke, A.
Deposit date:2016-11-23
Release date:2017-08-09
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure Basis for Directional R-loop Formation and Substrate Handover Mechanisms in Type I CRISPR-Cas System.
Cell, 170, 2017
5U0A
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CRISPR RNA-GUIDED SURVEILLANCE COMPLEX
Descriptor:CRISPR-associated protein, Cse3 family, Cse1 family, ...
Authors:Xiao, Y., Luo, M., Hayes, R.P., Kim, J., Ng, S., Ding, F., Liao, M., Ke, A.
Deposit date:2016-11-23
Release date:2017-08-09
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure Basis for Directional R-loop Formation and Substrate Handover Mechanisms in Type I CRISPR-Cas System.
Cell, 170, 2017
5XVN
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E. FAR CAS1-CAS2/PRESPACER BINARY COMPLEX
Descriptor:CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ...
Authors:Xiao, Y., Ng, S., Nam, K.H., Ke, A.
Deposit date:2017-06-28
Release date:2017-10-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:How type II CRISPR-Cas establish immunity through Cas1-Cas2-mediated spacer integration.
Nature, 550, 2017
5XVO
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E. FAE CAS1-CAS2/PRESPACER/TARGET TERNARY COMPLEX REVEALING DNA SAMPLING AND HALF-INTEGRATION STATES
Descriptor:CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ...
Authors:Xiao, Y., Ng, S., Nam, K.H., Ke, A.
Deposit date:2017-06-28
Release date:2017-10-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:How type II CRISPR-Cas establish immunity through Cas1-Cas2-mediated spacer integration.
Nature, 550, 2017
5XVP
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E. FAE CAS1-CAS2/PRESPACER/TARGET TERNARY COMPLEX REVEALING THE FULLY INTEGRATED STATES
Descriptor:CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (73-MER), ...
Authors:Xiao, Y., Ng, S., Nam, K.H., Ke, A.
Deposit date:2017-06-28
Release date:2017-10-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:How type II CRISPR-Cas establish immunity through Cas1-Cas2-mediated spacer integration.
Nature, 550, 2017
2W2I
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CRYSTAL STRUCTURE OF THE HUMAN 2-OXOGLUTARATE OXYGENASE LOC390245
Descriptor:2-OXOGLUTARATE OXYGENASE, NICKEL (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ...
Authors:Yue, W.W., Ng, S., Shafqat, N., Ugochukwu, E., McDonough, M., Pike, A.C.W., Filippakopoulos, P., von Delft, F., Arrowsmith, C., Weigelt, J., Edwards, A., Bountra, C., Schofield, C., Oppermann, U.
Deposit date:2008-10-31
Release date:2009-01-20
Last modified:2015-05-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Evolutionary Basis for the Dual Substrate Selectivity of Human Kdm4 Histone Demethylase Family.
J.Biol.Chem., 286, 2011
2XML
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CRYSTAL STRUCTURE OF HUMAN JMJD2C CATALYTIC DOMAIN
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4C, N-OXALYLGLYCINE, NICKEL (II) ION, ...
Authors:Yue, W.W., Gileadi, C., Krojer, T., Pike, A.C.W., von Delft, F., Ng, S., Carpenter, L., Arrowsmith, C., Weigelt, J., Edwards, A., Bountra, C., Oppermann, U.
Deposit date:2010-07-28
Release date:2010-09-29
Last modified:2015-05-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and Evolutionary Basis for the Dual Substrate Selectivity of Human Kdm4 Histone Demethylase Family.
J.Biol.Chem., 286, 2011
2GDO
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4-(AMINOALKYLAMINO)-3-BENZIMIDAZOLE-QUINOLINONES AS POTENT CHK1 INHIBITORS
Descriptor:Serine/threonine-protein kinase Chk1, SULFATE ION, 4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE
Authors:Le, V., Dove, J., Fang, E., Bussiere, D.E.
Deposit date:2006-03-16
Release date:2007-03-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:4-(Aminoalkylamino)-3-benzimidazole-quinolinones as potent CHK-1 inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
3TJP
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CRYSTAL STRUCTURE OF PI3K GAMMA WITH N6-(3,4-DIMETHOXYPHENYL)-2-MORPHOLINO-[4,5'-BIPYRIMIDINE]-2',6-DIAMINE
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, N~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine, SULFATE ION
Authors:Knapp, M.S., Elling, R.A., Ornelas, E.
Deposit date:2011-08-24
Release date:2012-08-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Identification of 5-(2,4-dimorpholinopyrimidin-6-yl)-4-(trifluoromethyl)pyridin-2-amine (NVP-BKM120) as a Potent, Selective and Orally Bioavailable Class I PI3 Kinase Inhibitor for the Treatment of Cancer
To be Published
4TOT
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CRYSTAL STRUCTURE OF RAT CYCLOPHILIN D IN COMPLEX WITH A POTENT NONIMMUNOSUPPRESSIVE INHIBITOR
Descriptor:Peptidyl-prolyl cis-trans isomerase F, mitochondrial, nonimmunosuppressive inhibitor, ...
Authors:Knapp, M.S., Elling, R.A.
Deposit date:2014-06-06
Release date:2014-11-12
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Potent nonimmunosuppressive cyclophilin inhibitors with improved pharmaceutical properties and decreased transporter inhibition.
J.Med.Chem., 57, 2014
4DIQ
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CRYSTAL STRUCTURE OF HUMAN NO66
Descriptor:Lysine-specific demethylase NO66, NICKEL (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ...
Authors:Vollmar, M., Krojer, T., Ng, S., Pilka, E., Bray, J., Pike, A.C.W., Filippakopoulos, P., Roos, A., Arrowsmith, C.H., Edwards, E., Bountra, C., von Delft, F., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2012-01-31
Release date:2012-03-07
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of human NO66
TO BE PUBLISHED