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7C4O
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BU of 7c4o by Molmil
Solution structure of the Orange domain from human protein HES1
分子名称: Transcription factor HES-1
著者Fan, J.S, Nayak, A, Swaminathan, K.
登録日2020-05-18
公開日2021-05-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Induction of Transcriptional Inhibitor Hairy and Enhancer of Split Homolog-1 and the Related Repression of Tumor-Suppressor Thioredoxin-Interacting Protein Are Important Components of Cell-Transformation Program Imposed by Oncogenic Kinase Nucleophosmin-Anaplastic Lymphoma Kinase.
Am J Pathol, 2022
5I9D
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BU of 5i9d by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U8A2 in complex with its target RNA U8A2
分子名称: RNA (5'-R(*GP*GP*GP*G*UP*UP*UP*UP*AP*AP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8A2
著者Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P.
登録日2016-02-20
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
5HE5
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BACE-1 in complex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
7TEH
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BU of 7teh by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2
分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2022-01-05
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
7TDU
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BU of 7tdu by Molmil
Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1
分子名称: (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2022-01-03
公開日2022-03-02
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
主引用文献Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
5ZII
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Crystal Structures of Mutant Endo-beta-1,4-xylanase II (Y88F)Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Zhang, X, Wan, Q.
登録日2018-03-15
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structures of Endo-beta-1,4-xylanase II
to be published
6DNE
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BU of 6dne by Molmil
Crystal structure of human Bromodomain-containing protein 4 (BRD4) bromodomain with MS660
分子名称: Bromodomain-containing protein 4, N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
著者Ren, C, Zhou, M.M.
登録日2018-06-06
公開日2018-07-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.958 Å)
主引用文献Spatially constrained tandem bromodomain inhibition bolsters sustained repression of BRD4 transcriptional activity for TNBC cell growth.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DJC
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Crystal structure of human Bromodomain-containing protein 4 (BRD4) bromodomain with MS645
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,N'-(decane-1,10-diyl)bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
著者Ren, C, Zhou, M.M.
登録日2018-05-25
公開日2018-07-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Spatially constrained tandem bromodomain inhibition bolsters sustained repression of BRD4 transcriptional activity for TNBC cell growth.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3CID
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BU of 3cid by Molmil
Structure of BACE Bound to SCH726222
分子名称: Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Strickland, C, Cumming, J.
登録日2008-03-11
公開日2008-06-10
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3CIC
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BU of 3cic by Molmil
Structure of BACE Bound to SCH709583
分子名称: Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Strickland, C, Cumming, J.
登録日2008-03-11
公開日2008-06-10
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
1WT8
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BU of 1wt8 by Molmil
Solution Structure of BmP08 from the Venom of Scorpion Buthus martensii Karsch, 20 structures
分子名称: Neurotoxin BmK X
著者Wu, H, Chen, X, Tong, X, Li, Y, Zhang, N, Wu, G.
登録日2004-11-17
公開日2005-04-19
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Solution structure of BmP08, a novel short-chain scorpion toxin from Buthus martensi Karsch.
Biochem.Biophys.Res.Commun., 330, 2005
5I9G
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BU of 5i9g by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U8C2 in complex with its target RNA U8C2
分子名称: RNA (5'-R(*GP*GP*G*GP*UP*UP*UP*UP*CP*CP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8C2
著者Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P.
登録日2016-02-20
公開日2016-04-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.288 Å)
主引用文献Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
6K9R
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BU of 6k9r by Molmil
Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Li, C, Wan, Q.
登録日2019-06-17
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
5I9F
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BU of 5i9f by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U10 in complex with its target RNA U10
分子名称: RNA (5'-R(*GP*GP*GP*GP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U10
著者Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, Y.
登録日2016-02-20
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
5I9H
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BU of 5i9h by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U8G2 in complex with its target RNA U8G2
分子名称: RNA (5'-R(*GP*GP*GP*GP*UP*UP*UP*UP*GP*GP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8G2
著者Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P.
登録日2016-02-20
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.504 Å)
主引用文献Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
4IGO
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BU of 4igo by Molmil
Histone H3 Lysine 4 Demethylating rice Rice JMJ703 in complex with alpha-KG
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, Os05g0196500 protein
著者Chen, Q.F, Chen, X.S, Wang, Q, Zhang, F.B, Lou, Z.Y, Zhang, Q.F, Zhou, D.X.
登録日2012-12-17
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis of a histone H3 lysine 4 demethylase required for stem elongation in rice.
PLoS Genet., 9, 2013
4IGP
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Histone H3 Lysine 4 Demethylating Rice JMJ703 apo enzyme
分子名称: FE (III) ION, Os05g0196500 protein
著者Chen, Q.F, Chen, X.S, Wang, Q, Zhang, F.B, Lou, Z.Y, Zhang, Q.F, Zhou, D.X.
登録日2012-12-17
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.003 Å)
主引用文献Structural basis of a histone H3 lysine 4 demethylase required for stem elongation in rice.
PLoS Genet., 9, 2013
4IGQ
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Histone H3 Lysine 4 Demethylating Rice JMJ703 in complex with methylated H3K4 substrate
分子名称: FE (III) ION, N-OXALYLGLYCINE, Os05g0196500 protein, ...
著者Chen, Q.F, Chen, X.S, Wang, Q, Zhang, F.B, Lou, Z.Y, Zhang, Q.F, Zhou, D.X.
登録日2012-12-17
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis of a histone H3 lysine 4 demethylase required for stem elongation in rice.
PLoS Genet., 9, 2013
4PZA
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BU of 4pza by Molmil
The complex structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c with inorganic phosphate
分子名称: Glucosyl-3-phosphoglycerate phosphatase, PHOSPHATE ION
著者Zhou, W.H, Zheng, Q.Q, Jiang, D.Q, Zhang, W, Zhang, Q.Q, Jin, J, Li, X, Yang, H.T, Shaw, N, Rao, Z.
登録日2014-03-29
公開日2014-06-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.776 Å)
主引用文献Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase
J.Biol.Chem., 289, 2014
4PZ9
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The native structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c
分子名称: Glucosyl-3-phosphoglycerate phosphatase
著者Zhou, W.H, Zheng, Q.Q, Jiang, D.Q, Zhang, W, Zhang, Q.Q, Jin, J, Li, X, Yang, H.T, Shaw, N, Rao, Z.
登録日2014-03-28
公開日2014-06-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase
J.Biol.Chem., 289, 2014
5DDU
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BU of 5ddu by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with PMP
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, CrmG, GLYCEROL, ...
著者Xu, J, Feng, Z, Liu, J.
登録日2015-08-25
公開日2016-08-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis
Acs Chem.Biol., 11, 2016
5DDS
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BU of 5dds by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with PLP
分子名称: ACETIC ACID, CrmG, GLYCEROL, ...
著者Xu, J, Feng, Z, Liu, J.
登録日2015-08-25
公開日2016-08-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis
Acs Chem.Biol., 11, 2016
5DDW
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BU of 5ddw by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with the PMP external aldimine adduct with Caerulomycin M
分子名称: CrmG, GLYCEROL, [5-hydroxy-4-({(E)-[(4-hydroxy-2,2'-bipyridin-6-yl)methylidene]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
著者Xu, J, Feng, Z, Liu, J.
登録日2015-08-25
公開日2016-08-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis
Acs Chem.Biol., 11, 2016
4QIH
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The structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c complexes with VO3
分子名称: Glucosyl-3-phosphoglycerate phosphatase, VANADATE ION
著者Zhou, W.H, Zheng, Q.Q, Jiang, D.Q, Zhang, W, Zhang, Q.Q, Jin, J, Li, X, Yang, H.T, Shaw, N, Rao, Z.
登録日2014-05-30
公開日2014-06-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase
J.Biol.Chem., 289, 2014
4QEI
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Two distinct conformational states of GlyRS captured in crystal lattice
分子名称: ADENOSINE MONOPHOSPHATE, Glycine--tRNA ligase, tRNA-Gly-CCC-2-2
著者Xie, W, Qin, X, Deng, X, Zhang, Q, Li, Q.
登録日2014-05-16
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.875 Å)
主引用文献Large Conformational Changes of Insertion 3 in Human Glycyl-tRNA Synthetase (hGlyRS) during Catalysis
J.Biol.Chem., 291, 2016

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