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6X59
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BU of 6x59 by Molmil
The mouse cGAS catalytic domain binding to human assembled nucleosome
分子名称: Cyclic GMP-AMP synthase, DNA, Histone H2A type 1, ...
著者Pengbiao, X, Pingwei, L, Baoyu, Z.
登録日2020-05-25
公開日2020-09-16
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献The molecular basis of tight nuclear tethering and inactivation of cGAS.
Nature, 587, 2020
4ISO
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BU of 4iso by Molmil
Crystal Structure of Matriptase in complex with its inhibitor HAI-1
分子名称: DI(HYDROXYETHYL)ETHER, GLUTATHIONE, GLYCEROL, ...
著者Huang, M.D, Zhao, B.Y, Yuan, C, Li, R.
登録日2013-01-16
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structures of matriptase in complex with its inhibitor hepatocyte growth factor activator inhibitor-1.
J.Biol.Chem., 288, 2013
4ISN
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BU of 4isn by Molmil
Crystal Structure of Matriptase in complex with its inhibitor HAI-1
分子名称: GLUTATHIONE, Kunitz-type protease inhibitor 1, Suppressor of tumorigenicity 14 protein, ...
著者Huang, M.D, Zhao, B.Y, Yuan, C, Li, R.
登録日2013-01-16
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structures of matriptase in complex with its inhibitor hepatocyte growth factor activator inhibitor-1.
J.Biol.Chem., 288, 2013
4IS5
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BU of 4is5 by Molmil
Crystal Structure of the ligand-free inactive Matriptase
分子名称: GLUTATHIONE, GLYCEROL, SULFATE ION, ...
著者Huang, M.D, Zhao, B.Y, Yuan, C, Li, R.
登録日2013-01-16
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal structures of matriptase in complex with its inhibitor hepatocyte growth factor activator inhibitor-1.
J.Biol.Chem., 288, 2013
4ISL
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BU of 4isl by Molmil
Crystal Structure of the inactive Matriptase in complex with its inhibitor HAI-1
分子名称: GLUTATHIONE, GLYCEROL, Kunitz-type protease inhibitor 1, ...
著者Huang, M.D, Zhao, B.Y, Yuan, C, Li, R.
登録日2013-01-16
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structures of matriptase in complex with its inhibitor hepatocyte growth factor activator inhibitor-1.
J.Biol.Chem., 288, 2013
5OB5
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BU of 5ob5 by Molmil
fAb complex with GroBeta. AbVance: increasing our knowledge of antibody structural space to enable faster and better decision-making in antibody drug discovery.
分子名称: C-X-C motif chemokine 2, GLYCEROL, SULFATE ION, ...
著者Zhao, B, Ward, P, Convery, M.A.
登録日2017-06-26
公開日2017-11-08
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献AbVance: increasing our knowledge of antibody structural space to enable faster and better decision-making in antibody drug discovery
To Be Published
6WS5
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BU of 6ws5 by Molmil
Rational drug design of phenazopyridine derivatives as novel inhibitors of Rev1-CT
分子名称: 3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine, DNA polymerase zeta catalytic subunit, DNA repair protein REV1, ...
著者McPherson, K.S, Korzhnev, D.M.
登録日2020-04-30
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.472 Å)
主引用文献Structure-Based Drug Design of Phenazopyridine Derivatives as Inhibitors of Rev1 Interactions in Translesion Synthesis.
Chemmedchem, 16, 2021
6WS0
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BU of 6ws0 by Molmil
Rational drug design of phenazopyridine derivatives as novel inhibitors of Rev1-CT
分子名称: DNA polymerase zeta catalytic subunit, DNA repair protein REV1, Mitotic spindle assembly checkpoint protein MAD2B
著者McPherson, K.S, Korzhnev, D.M.
登録日2020-04-30
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure-Based Drug Design of Phenazopyridine Derivatives as Inhibitors of Rev1 Interactions in Translesion Synthesis.
Chemmedchem, 16, 2021
3EZX
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BU of 3ezx by Molmil
Structure of Methanosarcina barkeri monomethylamine corrinoid protein
分子名称: 5-HYDROXYBENZIMIDAZOLYLCOBAMIDE, MAGNESIUM ION, Monomethylamine corrinoid protein 1
著者Jain, R.
登録日2008-10-23
公開日2009-12-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Structure of Methanosarcina barkeri monomethylamine corrinoid protein
TO BE PUBLISHED
2FTD
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BU of 2ftd by Molmil
Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound
分子名称: Cathepsin K, N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-7-METHYL-1-(PYRIDIN-2-YLSULFONYL)-2,3,4,7-TETRAHYDRO-1H-AZEPIN-4-YL]AMINO}CARBONYL)-3-METHYLBUTYL]-1-BENZOFURAN-2-CARBOXAMIDE
著者Yamashita, D.S, Baoguang, Z.
登録日2006-01-24
公開日2007-01-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
J.Med.Chem., 49, 2006
4E99
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BU of 4e99 by Molmil
Human Serum Albumin Complex with Perfluorooctane Sulfonate Potassium
分子名称: Serum albumin, heptadecafluoro-1-octanesulfonic acid
著者Luo, Z.P, Shi, X.L, Huang, M.D.
登録日2012-03-20
公開日2012-06-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural evidence of perfluorooctane sulfonate transport by human serum albumin
Chem.Res.Toxicol., 25, 2012
4HP3
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BU of 4hp3 by Molmil
Crystal structure of Tet3 in complex with a CpG dsDNA
分子名称: DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), LOC100036628 protein, UNKNOWN ATOM OR ION, ...
著者Chao, X, Tempel, W, Bian, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2012-10-23
公開日2012-12-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Tet3 CXXC Domain and Dioxygenase Activity Cooperatively Regulate Key Genes for Xenopus Eye and Neural Development.
Cell(Cambridge,Mass.), 151, 2012
4HP1
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BU of 4hp1 by Molmil
Crystal structure of Tet3 in complex with a non-CpG dsDNA
分子名称: DNA (5'-D(*GP*CP*CP*AP*CP*(5CM)P*GP*GP*TP*GP*GP*C)-3'), LOC100036628 protein, ZINC ION
著者Chao, X, Tempel, W, Bian, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2012-10-23
公開日2012-12-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Tet3 CXXC Domain and Dioxygenase Activity Cooperatively Regulate Key Genes for Xenopus Eye and Neural Development.
Cell(Cambridge,Mass.), 151, 2012
6UJH
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BU of 6ujh by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称: (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Phan, J, Fesik, S.W.
登録日2019-10-03
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.493 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UJL
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BU of 6ujl by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称: 6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol, WD repeat-containing protein 5
著者Phan, J.
登録日2019-10-03
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UJJ
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BU of 6ujj by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称: 5-[4-(trifluoromethyl)phenyl]-1H-tetrazole, WD repeat-containing protein 5
著者Phan, J.
登録日2019-10-03
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.731 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UHY
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BU of 6uhy by Molmil
WDR5 in complex with Myc site fragment inhibitor
分子名称: 1-cyclohexyl-1H-benzimidazole-5-carboxylic acid, WDR5
著者Wang, F, Fesik, S.W.
登録日2019-09-29
公開日2020-04-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UHZ
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BU of 6uhz by Molmil
WDR5 in complex with Myc site fragment inhibitor
分子名称: 1-cyclohexyl-1H-benzotriazole-5-carboxylic acid, WDR5
著者Wang, F, Fesik, S.w.
登録日2019-09-29
公開日2020-04-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.258 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
7XED
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BU of 7xed by Molmil
Crystal Structure of OsCIE1-Ubox and OsUBC8 complex
分子名称: U-box domain-containing protein 12, UBC core domain-containing protein
著者Zhang, Y, Yu, C.Z.
登録日2022-03-30
公開日2023-10-04
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice.
Nature, 629, 2024
6CV7
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BU of 6cv7 by Molmil
Mouse Protocadherin-15 Extracellular Cadherin Domains 1 through 3
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Dionne, G, Shapiro, L.
登録日2018-03-27
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.692 Å)
主引用文献Mechanotransduction by PCDH15 Relies on a Novel cis-Dimeric Architecture.
Neuron, 99, 2018
6PCU
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BU of 6pcu by Molmil
VP8* of a G2P[4] human rotavirus in complex with scFv antibody 9
分子名称: GLYCEROL, Outer capsid protein VP4, SULFATE ION, ...
著者Hu, L, Venkataram Prasad, B.V.
登録日2019-06-18
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human VP8* mAbs neutralize rotavirus selectively in human intestinal epithelial cells.
J.Clin.Invest., 130, 2019
7Y04
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BU of 7y04 by Molmil
Hsp90-AhR-p23 complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Aryl hydrocarbon receptor, BERYLLIUM TRIFLUORIDE ION, ...
著者Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F.
登録日2022-06-03
公開日2023-01-04
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structure of the cytosolic AhR complex.
Structure, 31, 2023
6DY7
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BU of 6dy7 by Molmil
WDR5 in complex with a WIN site inhibitor
分子名称: DIMETHYL SULFOXIDE, N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine, SULFATE ION, ...
著者Phan, J, Wang, F, Fesik, S.W.
登録日2018-07-01
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E1Y
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BU of 6e1y by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.219 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6DYA
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BU of 6dya by Molmil
WDR5 in complex with a WIN site inhibitor
分子名称: DIMETHYL SULFOXIDE, N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide, SULFATE ION, ...
著者Phan, J, Wang, F, Fesik, S.W.
登録日2018-07-01
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019

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