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5J6A
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CRYSTAL STRUCTURE OF PYRUVATE DEHYDROGENASE KINASE ISOFORM 2 IN COMPLEX WITH INHIBITOR PS46
分子名称:[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, (3S)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2H-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide
著者Gui, W.J., Tso, S.C., Chuang, J.L., Wu, C.Y., Qi, X., Wynn, R.M., Chuang, D.T.
登録日2016-04-04
公開日2017-01-25
最終更新日2017-09-20
実験手法X-RAY DIFFRACTION (2.045 Å)
主引用文献Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors.
J. Med. Chem., 60, 2017
1FSW
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AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CEPHALOTHINBORONIC ACID
分子名称:CEPHALOSPORINASE, PHOSPHATE ION, N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID
著者Caselli, E., Powers, R.A., Blaszczak, L.C., Wu, C.Y., Prati, F., Shoichet, B.K.
登録日2000-09-11
公開日2001-03-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases.
Chem.Biol., 8, 2001
1FSY
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AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CLOXACILLINBORONIC ACID
分子名称:CEPHALOSPORINASE, PHOSPHATE ION, N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID
著者Caselli, E., Powers, R.A., Blasczcak, L.C., Wu, C.Y., Prati, F., Shoichet, B.K.
登録日2000-09-11
公開日2001-03-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases.
Chem.Biol., 8, 2001
4MP2
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CRYSTAL STRUCTURE OF PYRUVATE DEHYDROGENASE KINASE ISOFORM 2 IN COMPLEX WITH INHIBITOR PA1
分子名称:[Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, mitochondrial, (5-bromo-2,4-dihydroxyphenyl)(1,3-dihydro-2H-isoindol-2-yl)methanone, ...
著者Gui, W.J., Tso, S.C., Chuang, J.L., Wu, C.Y., Qi, X., Tambar, U.K., Wynn, R.M., Chuang, D.T.
登録日2013-09-12
公開日2014-01-01
最終更新日2014-03-05
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
4MP7
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CRYSTAL STRUCTURE OF PYRUVATE DEHYDROGENASE KINASE ISOFORM 2 IN COMPLEX WITH INHIBITOR PA7
分子名称:[Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, mitochondrial, 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, ...
著者Gui, W.J., Tso, S.C., Chuang, J.L., Wu, C.Y., Qi, X., Tambar, U.K., Wynn, R.M., Chuang, D.T.
登録日2013-09-12
公開日2014-01-01
最終更新日2014-03-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
4MPC
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CRYSTAL STRUCTURE OF PYRUVATE DEHYDROGENASE KINASE ISOFORM 2 IN COMPLEX WITH INHIBITOR PS2
分子名称:[Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, mitochondrial, L(+)-TARTARIC ACID, ...
著者Gui, W.J., Tso, S.C., Chuang, J.L., Wu, C.Y., Qi, X., Tambar, U.K., Wynn, R.M., Chuang, D.T.
登録日2013-09-12
公開日2014-01-01
最終更新日2014-03-05
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
4MPE
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CRYSTAL STRUCTURE OF PYRUVATE DEHYDROGENASE KINASE ISOFORM 2 IN COMPLEX WITH INHIBITOR PS8
分子名称:[Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, mitochondrial, 4-[(5-hydroxy-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]benzene-1,3-diol, ...
著者Gui, W.J., Tso, S.C., Chuang, J.L., Wu, C.Y., Qi, X., Tambar, U.K., Wynn, R.M., Chuang, D.T.
登録日2013-09-12
公開日2014-01-01
最終更新日2014-03-05
実験手法X-RAY DIFFRACTION (1.953 Å)
主引用文献Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
4MPN
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CRYSTAL STRUCTURE OF PYRUVATE DEHYDROGENASE KINASE ISOFORM 2 IN COMPLEX WITH INHIBITOR PS10
分子名称:[Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, mitochondrial, 2-[(2,4-dihydroxyphenyl)sulfonyl]-2,3-dihydro-1H-isoindole-4,6-diol, ...
著者Gui, W.J., Tso, S.C., Chuang, J.L., Wu, C.Y., Qi, X., Tambar, U.K., Wynn, R.M., Chuang, D.T.
登録日2013-09-13
公開日2014-01-01
最終更新日2014-03-05
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
5GIF
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CRYSTAL STRUCTURE OF DROSOPHILA MELANOGASTER E47D DOPAMINE N-ACETYLTRANSFERASE IN BINARY COMPLEX WITH ACETYL-COA
分子名称:Dopamine N-acetyltransferase, (4S,5S)-1,2-DITHIANE-4,5-DIOL, ACETYL COENZYME *A
著者Yang, Y.C., Wu, C.Y., Cheng, H.C., Lyu, P.C.
登録日2016-06-23
公開日2017-07-05
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Binary Complex with Acetyl-CoA
To Be Published
5GIG
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CRYSTAL STRUCTURE OF DROSOPHILA MELANOGASTER E47D DOPAMINE N-ACETYLTRANSFERASE IN TERNARY COMPLEX WITH COA AND ACETYL-DOPAMINE
分子名称:Dopamine N-acetyltransferase, COENZYME A, ~{N}-[2-[3,4-bis(oxidanyl)phenyl]ethyl]ethanamide, ...
著者Yang, Y.C., Wu, C.Y., Cheng, H.C., Lyu, P.C.
登録日2016-06-23
公開日2017-07-05
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Ternary Complex with CoA and Acetyl-dopamine
To Be Published
5GIH
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CRYSTAL STRUCTURE OF DROSOPHILA MELANOGASTER E47D DOPAMINE N-ACETYLTRANSFERASE IN TERNARY COMPLEX WITH COA AND ACETYL-PHENYLETHYLAMINE
分子名称:Dopamine N-acetyltransferase, COENZYME A, N-(2-phenylethyl)acetamide
著者Yang, Y.C., Wu, C.Y., Cheng, H.C., Lyu, P.C.
登録日2016-06-23
公開日2017-07-05
実験手法X-RAY DIFFRACTION (1.392 Å)
主引用文献Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Ternary Complex with CoA and Acetyl-phenylethylamine
To Be Published
5GII
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CRYSTAL STRUCTURE OF DROSOPHILA MELANOGASTER E47N DOPAMINE N-ACETYLTRANSFERASE IN TERNARY COMPLEX WITH COA AND ACETYL-PHENYLETHYLAMINE
分子名称:Dopamine N-acetyltransferase, COENZYME A, N-(2-phenylethyl)acetamide
著者Yang, Y.C., Wu, C.Y., Cheng, H.C., Lyu, P.C.
登録日2016-06-23
公開日2017-07-05
実験手法X-RAY DIFFRACTION (1.294 Å)
主引用文献Crystal Structure of Drosophila melanogaster E47N Dopamine N-Acetyltransferase in Ternary Complex with CoA and Acetyl-phenylethylamine
To Be Published
5J71
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CRYSTAL STRUCTURE OF PYRUVATE DEHYDROGENASE KINASE ISOFORM 2 IN COMPLEX WITH INHIBITOR PS35
分子名称:[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, L(+)-TARTARIC ACID, ...
著者Gui, W.J., Tso, S.C., Chuang, J.L., Wu, C.Y., Qi, X., Wynn, R.M., Chuang, D.T.
登録日2016-04-05
公開日2017-01-25
最終更新日2017-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors.
J. Med. Chem., 60, 2017
5JS4
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CRYSTAL STRUCTURE OF PHIAB6 TAILSPIKE
分子名称:phiAB6 tailspike, MALONIC ACID
著者Lee, I.M., Tu, I.F., Huang, K.F., Wu, S.H.
登録日2016-05-07
公開日2017-03-08
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural basis for fragmenting the exopolysaccharide of Acinetobacter baumannii by bacteriophage Phi AB6 tailspike protein
Sci Rep, 7, 2017
5JSD
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CRYSTAL STRUCTURE OF PHIAB6 TAILSPIKE IN COMPLEX WITH FIVE-REPEATED OLIGOSACCHARIDES OF ACINETOBACTER BAUMANNII SURFACE POLYSACCHARIDE
分子名称:phiAB6 tailspike, MALONIC ACID, (2~{S},4~{S},5~{S},6~{S})-5-acetamido-6-[(1~{S},2~{S})-1-acetamido-2-oxidanyl-propyl]-2,4-bis(oxidanyl)oxane-2-carboxylic acid, ...
著者Lee, I.M., Tu, I.F., Huang, K.F., Wu, S.H.
登録日2016-05-08
公開日2017-03-08
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural basis for fragmenting the exopolysaccharide of Acinetobacter baumannii by bacteriophage Phi AB6 tailspike protein
Sci Rep, 7, 2017
5JSE
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CRYSTAL STRUCTURE OF PHIAB6 TAILSPIKE IN COMPLEX WITH THREE-REPEATED OLIGOSACCHARIDES OF ACINETOBACTER BAUMANNII SURFACE POLYSACCHARIDE
分子名称:phiAB6 tailspike, MALONIC ACID, (2~{S},4~{S},5~{S},6~{S})-5-acetamido-6-[(1~{S},2~{S})-1-acetamido-2-oxidanyl-propyl]-2,4-bis(oxidanyl)oxane-2-carboxylic acid, ...
著者Lee, I.M., Tu, I.F., Huang, K.F., Wu, S.H.
登録日2016-05-08
公開日2017-03-08
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural basis for fragmenting the exopolysaccharide of Acinetobacter baumannii by bacteriophage Phi AB6 tailspike protein
Sci Rep, 7, 2017
6BF4
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CRYSTAL STRUCTURE OF HIV-1 CLADE AE STRAIN CNE55 GP120 CORE IN COMPLEX WITH NEUTRALIZING ANTIBODY VRC-PG05 THAT TARGETS THE CENTER OF THE SILENT FACE ON THE OUTER DOMAIN OF GP120
分子名称:HIV-1 clade AE gp120 core, VRC-PG05 Fab heavy chain, VRC-PG05 Fab light chain, ...
著者Zhou, T., Kwong, P.D.
登録日2017-10-25
公開日2018-03-07
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.382 Å)
主引用文献A Neutralizing Antibody Recognizing Primarily N-Linked Glycan Targets the Silent Face of the HIV Envelope.
Immunity, 48, 2018
6J3O
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CRYSTAL STRUCTURE OF THE HUMAN PCAF BROMODOMAIN IN COMPLEX WITH COMPOUND 12
分子名称:Histone acetyltransferase KAT2B, 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one
著者Huang, L.Y., Li, H., Li, L.L., Niu, L., Seupel, R., Wu, C.Y., Li, G.B., Yu, Y.M., Brennan, P.E., Yang, S.Y.
登録日2019-01-05
公開日2019-05-01
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
6J3P
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CRYSTAL STRUCTURE OF THE HUMAN GCN5 BROMODOMAIN IN COMPLEX WITH COMPOUND (R,R)-36N
分子名称:Histone acetyltransferase KAT2A, 2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
著者Huang, L.Y., Li, H., Niu, L., Wu, C.Y., Yu, Y.M., Li, L.L., Yang, S.Y.
登録日2019-01-05
公開日2019-05-01
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
5BZW
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CRYSTAL STRUCTURE OF PCDN-27B, AN ANTIBODY FROM THE PCDN FAMILY OF HIV-1 ANTIBODIES
分子名称:2B3 HIV Antibody light chain, 2B3 HIV Antibody heavy chain, SULFATE ION, ...
著者Garces, F., WILSON, I.A.
登録日2015-06-11
公開日2016-05-25
最終更新日2018-10-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Early Antibody Lineage Diversification and Independent Limb Maturation Lead to Broad HIV-1 Neutralization Targeting the Env High-Mannose Patch.
Immunity, 44, 2016
5FYJ
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CRYSTAL STRUCTURE AT 3.4 A RESOLUTION OF FULLY GLYCOSYLATED HIV-1 CLADE G X1193.C1 SOSIP.664 PREFUSION ENV TRIMER IN COMPLEX WITH BROADLY NEUTRALIZING ANTIBODIES PGT122, 35O22 AND VRC01
分子名称:GP41 ENV ECTODOMAIN, 35O22, GP120 ENV ECTODOMAIN, ...
著者Stewart-Jones, G.B.E., Zhou, T., Thomas, P.V., Kwong, P.D.
登録日2016-03-08
公開日2016-04-27
最終更新日2017-07-12
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Trimeric HIV-1-Env Structures Define Glycan Shields from Clades A, B and G
Cell(Cambridge,Mass.), 165, 2016
5FYK
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CRYSTAL STRUCTURE AT 3.7 A RESOLUTION OF FULLY GLYCOSYLATED HIV-1 CLADE B JR-FL SOSIP.664 PREFUSION ENV TRIMER IN COMPLEX WITH BROADLY NEUTRALIZING ANTIBODIES PGT122, 35O22 AND VRC01
分子名称:JR-FL, GP41 ENV ECTODOMAIN, 35O22, ...
著者Stewart-Jones, G.B.E., Zhou, T., Thomas, P.V., Kwong, P.D.
登録日2016-03-08
公開日2016-04-27
最終更新日2017-07-12
実験手法X-RAY DIFFRACTION (3.107 Å)
主引用文献Trimeric HIV-1-Env Structures Define Glycan Shields from Clades A, B and G
Cell(Cambridge,Mass.), 165, 2016
5FYL
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CRYSTAL STRUCTURE AT 3.7 A RESOLUTION OF FULLY GLYCOSYLATED HIV-1 CLADE A BG505 SOSIP.664 PREFUSION ENV TRIMER IN COMPLEX WITH BROADLY NEUTRALIZING ANTIBODIES PGT122 AND 35O22
分子名称:BG505 GP120 ENV ECTODOMAIN, 35O22 ANTIBODY FAB HEAVY CHAIN, 35O22 ANTIBODY FAB LIGHT CHAIN, ...
著者Stewart-Jones, G.B.E., Zhou, T., Thomas, P.V., Kwong, P.D.
登録日2016-03-08
公開日2016-04-27
最終更新日2017-07-12
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Trimeric HIV-1-Env Structures Define Glycan Shields from Clades A, B and G
Cell(Cambridge,Mass.), 165, 2016
5WQL
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STRUCTURE OF A PDZ-PROTEASE BOUND TO A SUBSTRATE-BINDING ADAPTOR
分子名称:Lipoprotein NlpI, Tail-specific protease, ALA-ALA-ALA-ALA-ALA-ALA, ...
著者Su, M.Y., Chang, C.I.
登録日2016-11-27
公開日2017-11-22
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of adaptor-mediated protein degradation by the tail-specific PDZ-protease Prc
Nat Commun, 8, 2017
5ZXH
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THE STRUCTURE OF MT189-TUBULIN COMPLEX
分子名称:Tubulin alpha-1B chain, Tubulin beta-2B chain, Stathmin-4, ...
著者Li, Z.P., Wang, Y.X., Meng, T., Yang, J.L., Chen, Q.
登録日2018-05-21
公開日2019-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Structure of MT189-Tubulin Complex Provides Insights into Drug Design
Lett.Drug Des.Discovery, 2019