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7YC4
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BU of 7yc4 by Molmil
Acetylesterase (LgEstI) F207A
分子名称: Alpha/beta hydrolase
著者Do, H, Lee, J.H.
登録日2022-06-30
公開日2023-06-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure and biochemical analysis of acetylesterase (LgEstI) from Lactococcus garvieae.
Plos One, 18, 2023
4KN8
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BU of 4kn8 by Molmil
Crystal structure of Bs-TpNPPase
分子名称: Thermostable NPPase
著者Guo, Z, Wang, F, Huang, J, Gong, W, Ji, C.
登録日2013-05-09
公開日2014-04-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Crystal Structure of Thermostable p-nitrophenylphosphatase from Bacillus Stearothermophilus (Bs-TpNPPase)
PROTEIN PEPT.LETT., 21, 2014
5XLZ
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BU of 5xlz by Molmil
The crystal structure of tubulin complexed with a benzylidene derivative of 9(10H)-anthracenone
分子名称: 10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Yu, Y, Chen, Q.
登録日2017-05-12
公開日2017-11-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Structure of a benzylidene derivative of 9(10H)-anthracenone in complex with tubulin provides a rationale for drug design.
Biochem. Biophys. Res. Commun., 495, 2018
6X1C
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BU of 6x1c by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5j
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
著者White, S.W, Yun, M.
登録日2020-05-18
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
6X1F
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Tubulin-RB3_SLD-TTL in complex with compound 5m
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
著者White, S.W, Yun, M.
登録日2020-05-18
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
6X1E
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BU of 6x1e by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5l
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
著者White, S.W, Yun, M.
登録日2020-05-18
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
5F59
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BU of 5f59 by Molmil
The crystal structure of MLL3 SET domain
分子名称: Histone-lysine N-methyltransferase 2C, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Li, Y, Lei, M, Chen, Y.
登録日2015-12-04
公開日2016-02-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
5F5E
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The Crystal Structure of MLL1 SET domain with N3816I/Q3867L mutation
分子名称: Histone-lysine N-methyltransferase 2A, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Li, Y, Lei, M, Chen, Y.
登録日2015-12-04
公開日2016-02-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
5F6L
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BU of 5f6l by Molmil
The crystal structure of MLL1 (N3861I/Q3867L) in complex with RbBP5 and Ash2L
分子名称: Histone-lysine N-methyltransferase 2A, Retinoblastoma-binding protein 5, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Li, Y, Lei, M, Chen, Y.
登録日2015-12-06
公開日2016-02-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
5F6K
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Crystal structure of the MLL3-Ash2L-RbBP5 complex
分子名称: Histone-lysine N-methyltransferase 2C, Retinoblastoma-binding protein 5, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Li, Y, Lei, M, Chen, Y.
登録日2015-12-06
公開日2016-02-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.411 Å)
主引用文献Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
5YQN
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BU of 5yqn by Molmil
Crystal structure of Sirt2 in complex with selective inhibitor L55
分子名称: DI(HYDROXYETHYL)ETHER, N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ...
著者Wang, H, Yu, Y, Li, G, Chen, Q.
登録日2017-11-07
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
6J56
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BU of 6j56 by Molmil
Crystal structure of Myosin VI CBD in complex with Tom1 MBM
分子名称: Peptide from Target of Myb protein 1, Unconventional myosin-VI
著者Hu, S, Pan, L.
登録日2019-01-10
公開日2019-08-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Structure of Myosin VI/Tom1 complex reveals a cargo recognition mode of Myosin VI for tethering.
Nat Commun, 10, 2019
4REE
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BU of 4ree by Molmil
Crystal Structure of TR3 LBD in complex with Molecule 6
分子名称: 1-(2,3,4-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W.
登録日2014-09-22
公開日2015-09-09
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
4REF
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BU of 4ref by Molmil
Crystal Structure of TR3 LBD_L449W in complex with Molecule 2
分子名称: 1-(3,4,5-trihydroxyphenyl)hexan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W.
登録日2014-09-22
公開日2015-09-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
5YQO
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BU of 5yqo by Molmil
Crystal structure of Sirt2 in complex with selective inhibitor L5C
分子名称: N-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION
著者Wang, H, Yu, Y, Li, G, Chen, Q.
登録日2017-11-07
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.483 Å)
主引用文献X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
5YQL
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BU of 5yql by Molmil
Crystal structure of Sirt2 in complex with selective inhibitor A2I
分子名称: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ...
著者Wang, H, Yu, Y, Li, G, Chen, Q.
登録日2017-11-07
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
5YQM
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BU of 5yqm by Molmil
Crystal structure of Sirt2 in complex with selective inhibitor A29
分子名称: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ...
著者Wang, H, Yu, Y, Li, G, chen, Q.
登録日2017-11-07
公開日2018-10-17
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.735 Å)
主引用文献X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
3V43
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BU of 3v43 by Molmil
Crystal structure of MOZ
分子名称: ACETATE ION, Histone H3.1, Histone acetyltransferase KAT6A, ...
著者Qiu, Y, Li, F.
登録日2011-12-14
公開日2012-06-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription
Genes Dev., 26, 2012
6KK7
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BU of 6kk7 by Molmil
Structure of thermal-stabilised(M6) human GLP-1 receptor transmembrane domain
分子名称: Glucagon-like peptide 1 receptor,Endolysin,Glucagon-like peptide 1 receptor, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine
著者Song, G.
登録日2019-07-23
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Mutagenesis facilitated crystallization of GLP-1R.
Iucrj, 6, 2019
7V61
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BU of 7v61 by Molmil
ACE2 -Targeting Monoclonal Antibody as Potent and Broad-Spectrum Coronavirus Blocker
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3E8, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
登録日2021-08-18
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献ACE2-targeting monoclonal antibody as potent and broad-spectrum coronavirus blocker.
Signal Transduct Target Ther, 6, 2021
3NYJ
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BU of 3nyj by Molmil
Crystal Structure Analysis of APP E2 domain
分子名称: Amyloid beta A4 protein, OSMIUM ION
著者Ha, Y, Hu, J, Lee, S, Liu, X.
登録日2010-07-15
公開日2011-06-01
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The E2 Domains of APP and APLP1 Share a Conserved Mode of Dimerization.
Biochemistry, 50, 2011
8H3I
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BU of 8h3i by Molmil
Crystal Structure of the apo-form Pathogenesis-related Protein HcPR10 from Halostachys caspica
分子名称: PR10
著者Wang, Z, Ren, Y.
登録日2022-10-08
公開日2023-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Halostachys caspica pathogenesis-related protein 10 acts as a cytokinin reservoir to regulate plant growth and development.
Front Plant Sci, 14, 2023
8H3J
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Crystal Structure of Pathogenesis-related Protein HcPR10 from Halostachys caspica in complex with trans-Zeatin-riboside
分子名称: N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine, PR10
著者Wang, Z, Ren, Y.
登録日2022-10-08
公開日2023-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Halostachys caspica pathogenesis-related protein 10 acts as a cytokinin reservoir to regulate plant growth and development.
Front Plant Sci, 14, 2023
5EWS
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BU of 5ews by Molmil
Sugar binding protein - human galectin-2
分子名称: Galectin-2, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Su, J.Y, Si, Y.L.
登録日2015-11-21
公開日2016-09-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination.
Acta Biochim. Biophys. Sin. (Shanghai), 48, 2016
5IO1
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CRYSTAL STRUCTURE OF RECOMBINANT HUMAN Z ALPHA-1-ANTITRYPSIN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1-antitrypsin
著者Zhou, A.
登録日2016-03-08
公開日2016-06-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Molecular Mechanism of Z alpha 1-Antitrypsin Deficiency
J. Biol. Chem., 291, 2016

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