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5ED6
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BU of 5ed6 by Molmil
crystal structure of human Hint1 H114A mutant complexing with ATP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
著者Wang, J, Fang, P, Guo, M.
登録日2015-10-20
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
5ED3
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BU of 5ed3 by Molmil
crystal structure of human Hint1 complexing with AP5A
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
著者Wang, J, Fang, P, Guo, M.
登録日2015-10-20
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.309 Å)
主引用文献Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
6AFR
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BU of 6afr by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol
分子名称: 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4
著者Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R.
登録日2018-08-08
公開日2018-12-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors
Eur J Med Chem, 163, 2018
5YGI
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BU of 5ygi by Molmil
Crystal structure of human FPPS in complex with an inhibitor THZ93
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ...
著者Li, X.
登録日2017-09-23
公開日2018-09-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.177 Å)
主引用文献The Mevalonate Pathway Is a Druggable Target for Vaccine Adjuvant Discovery.
Cell, 175, 2018
3PCU
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BU of 3pcu by Molmil
Crystal structure of human retinoic X receptor alpha ligand-binding domain complexed with LX0278 and SRC1 peptide
分子名称: 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Zhang, H, Zhang, Y, Shen, H, Chen, J, Li, C, Chen, L, Hu, L, Jiang, H, Shen, X.
登録日2010-10-22
公開日2011-11-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献(+)-Rutamarin as a Dual Inducer of Both GLUT4 Translocation and Expression Efficiently Ameliorates Glucose Homeostasis in Insulin-Resistant Mice.
Plos One, 7, 2012
3TV0
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BU of 3tv0 by Molmil
Structure of dynactin p27 subunit
分子名称: Dynactin subunit 6
著者Derewenda, Z.S, Derewenda, U, Kowalska, A.
登録日2011-09-19
公開日2012-10-03
実験手法X-RAY DIFFRACTION (2.1492 Å)
主引用文献Dynactin targets Polo-like kinase 1 to kinetochores
To be Published
2M8T
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BU of 2m8t by Molmil
Solution NMR structure of the V209M variant of the human prion protein (residues 90-231)
分子名称: Major prion protein
著者Mills, J.L, Surewicz, K, Surewicz, W, Soennichsen, F.D.
登録日2013-05-28
公開日2013-09-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Thermodynamic Stabilization of the Folded Domain of Prion Protein Inhibits Prion Infection in Vivo.
Cell Rep, 4, 2013
4PLJ
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BU of 4plj by Molmil
Hepatitis E Virus E2s domain (Genotype IV) in complex with a neutralizing antibody 8G12
分子名称: 8G12 heavy chain, 8G12 light chain, Capsid protein
著者Tang, X.H, Li, S.W, Sivaraman, J.
登録日2014-05-18
公開日2015-04-15
最終更新日2015-05-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for the neutralization of hepatitis E virus by a cross-genotype antibody
Cell Res., 25, 2015
4PLK
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BU of 4plk by Molmil
Hepatitis E Virus E2s domain (Genotype I) in complex with a neutralizing antibody 8G12
分子名称: 8G12 heavy chain, 8G12 light chain, Capsid protein
著者Tang, X.H, Li, S.W, Sivaraman, J.
登録日2014-05-18
公開日2015-04-08
最終更新日2015-05-13
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structural basis for the neutralization of hepatitis E virus by a cross-genotype antibody
Cell Res., 25, 2015
4RHZ
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BU of 4rhz by Molmil
Crystal structure of Cry23Aa1 and Cry37Aa1 binary protein complex
分子名称: CALCIUM ION, Cry23AA1, Cry37AA1, ...
著者Rydel, T.J, Williams, J.M, Brown, G.R, Guzov, V.M, Sturman, E.J, Evdokimov, A.
登録日2014-10-03
公開日2015-10-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The Associated Bacillus thuringiensis Binary Protein Complex of Cry23Aa1 and Cry37Aa1: Crystal Structure, Insecticidal Data, and Pore Formation Modeling.
To be Published
3SXM
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BU of 3sxm by Molmil
Metal-free FCD domain of TM0439 a putative transcriptional regulator
分子名称: BICARBONATE ION, Transcriptional regulator, GntR family
著者Czelakowski, G.P, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI)
登録日2011-07-15
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Metal-free FCD domain of TM0439 a putative transcriptional regulator
To be Published
3SXY
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BU of 3sxy by Molmil
Metal-free full-length structure of Tm0439, a metal-binding FCD family transcriptional regulator
分子名称: Transcriptional regulator, GntR family
著者Czelakowski, G.P, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI)
登録日2011-07-15
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.647 Å)
主引用文献Metal-free full-length structure of Tm0439, a metal-binding FCD family transcriptional regulator
To be Published
3SXZ
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BU of 3sxz by Molmil
Metal-free FCD domain of TM0439 a putative transcriptional regulator
分子名称: Transcriptional regulator, GntR family
著者Czelakowski, G.P, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI)
登録日2011-07-15
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.322 Å)
主引用文献Metal-free FCD domain of TM0439 a putative transcriptional regulator
To be Published
3SXK
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BU of 3sxk by Molmil
Zn2+-bound FCD domain of TM0439, a putative transcriptional regulator
分子名称: BICARBONATE ION, SULFATE ION, Transcriptional regulator, ...
著者Czelakowski, G.P, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI)
登録日2011-07-15
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Zn2+-bound FCD domain of TM0439, a putative transcriptional regulator
To be Published
5WUU
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BU of 5wuu by Molmil
Complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring
分子名称: Bromodomain-containing protein 4, ~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide
著者Zhang, H, Sun, Z.Y.
登録日2016-12-21
公開日2017-04-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.724 Å)
主引用文献Discovery of novel BRD4 inhibitors by high-throughput screening, crystallography, and cell-based assays.
Bioorg. Med. Chem. Lett., 27, 2017
5Y1Y
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BU of 5y1y by Molmil
Complex structure of nitroxoline with the first bromodomain of BRD4
分子名称: 5-nitroquinolin-8-ol, Bromodomain-containing protein 4
著者Jiang, H, Luo, C.
登録日2017-07-21
公開日2017-11-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.912 Å)
主引用文献Discovery of novel BET inhibitors by drug repurposing of nitroxoline and its analogues.
Org. Biomol. Chem., 15, 2017
5Z5T
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BU of 5z5t by Molmil
The first bromodomain of BRD4 with compound BDF-2141
分子名称: 2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol, Bromodomain-containing protein 4
著者Zhang, H, Luo, C.
登録日2018-01-20
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
5Z5V
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BU of 5z5v by Molmil
The first bromodomain of BRD4 with compound BDF-1253
分子名称: Bromodomain-containing protein 4, N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide
著者Zhang, H, Luo, C.
登録日2018-01-20
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
5Z5U
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BU of 5z5u by Molmil
The first bromodomain of BRD4 with compound BDF-2254
分子名称: 2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol, Bromodomain-containing protein 4
著者Zhang, H, Luo, C.
登録日2018-01-20
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
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