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2OUR
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BU of 2our by Molmil
crystal structure of PDE10A2 mutant D674A in complex with cAMP
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, MAGNESIUM ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Wang, H.C, Liu, Y.D, Hou, J, Zheng, M.Y, Robinson, H.
登録日2007-02-12
公開日2007-03-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献From the Cover: Structural insight into substrate specificity of phosphodiesterase 10.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2OUN
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BU of 2oun by Molmil
crystal structure of PDE10A2 in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ZINC ION, ...
著者Wang, H.C, Liu, Y.D, Hou, J, Zheng, M.Y, Robinson, H, Ke, H.M.
登録日2007-02-12
公開日2007-03-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献From the Cover: Structural insight into substrate specificity of phosphodiesterase 10.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2OUU
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BU of 2ouu by Molmil
crystal structure of PDE10A2 mutant D674A in complex with cGMP
分子名称: GUANOSINE-3',5'-MONOPHOSPHATE, MAGNESIUM ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Wang, H.C, Liu, Y.D, Hou, J, Zheng, M.Y, Robinson, H.
登録日2007-02-12
公開日2007-03-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献From the Cover: Structural insight into substrate specificity of phosphodiesterase 10.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2OUS
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BU of 2ous by Molmil
crystal structure of PDE10A2 mutant D674A
分子名称: MAGNESIUM ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Wang, H.C, Liu, Y.D, Hou, J, Zheng, M.Y, Robinson, H.
登録日2007-02-12
公開日2007-03-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献From the Cover: Structural insight into substrate specificity of phosphodiesterase 10.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2OUQ
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BU of 2ouq by Molmil
crystal structure of PDE10A2 in complex with GMP
分子名称: GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ZINC ION, ...
著者Wang, H.C, Liu, Y.D, Hou, J, Zheng, M.Y, Robinson, H.
登録日2007-02-12
公開日2007-03-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献From the Cover: Structural insight into substrate specificity of phosphodiesterase 10.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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
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
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
6D1O
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BU of 6d1o by Molmil
FT_5 dioxygenase apoenzyme
分子名称: (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase
著者Rydel, T.J, Halls, C.E.
登録日2018-04-12
公開日2018-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
6D3J
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BU of 6d3j by Molmil
FT_T dioxygenase holoenzyme
分子名称: 2-OXOGLUTARIC ACID, COBALT (II) ION, FT_T dioxygenase
著者Rydel, T.J, Halls, C.E.
登録日2018-04-16
公開日2018-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
6D3M
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BU of 6d3m by Molmil
FT_T dioxygenase with bound quizalofop
分子名称: (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
著者Rydel, T.J, Halls, C.E.
登録日2018-04-16
公開日2018-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
6D3H
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BU of 6d3h by Molmil
FT_T dioxygenase with bound dichlorprop
分子名称: (2R)-2-(2,4-dichlorophenoxy)propanoic acid, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
著者Rydel, T.J, Halls, C.E.
登録日2018-04-16
公開日2018-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
6D3I
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BU of 6d3i by Molmil
ftv7 dioxygenase with 2,4-D bound
分子名称: (2,4-DICHLOROPHENOXY)ACETIC ACID, 2-OXOGLUTARIC ACID, COBALT (II) ION, ...
著者Rydel, T.J, Halls, C.E.
登録日2018-04-16
公開日2018-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.196 Å)
主引用文献Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
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
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
5H21
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BU of 5h21 by Molmil
Trimethoxy-ring inhibitor in complex with the first bromodomain of BRD4
分子名称: 3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide, Bromodomain-containing protein 4
著者Zhang, H, Luo, C.
登録日2016-10-13
公開日2017-07-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.591 Å)
主引用文献Discovery of novel trimethoxy-ring BRD4 bromodomain inhibitors: AlphaScreen assay, crystallography and cell-based assay.
Medchemcomm, 8, 2017
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
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
3DP2
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BU of 3dp2 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3j
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ...
著者Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
登録日2008-07-07
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DOZ
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BU of 3doz by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3k
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ...
著者Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
登録日2008-07-07
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DOY
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BU of 3doy by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3i
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ...
著者Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
登録日2008-07-07
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009

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