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8EXO
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BU of 8exo by Molmil
Crystal structure of PI3K-alpha in complex with compound 19
分子名称: 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E.
登録日2022-10-25
公開日2022-11-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
8EXU
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BU of 8exu by Molmil
Crystal structure of PI3K-alpha in complex with compound 30
分子名称: (2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E.
登録日2022-10-25
公開日2022-11-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
8EXV
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BU of 8exv by Molmil
Crystal structure of PI3K-alpha in complex with compound 32
分子名称: N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E.
登録日2022-10-25
公開日2022-11-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
5X6O
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BU of 5x6o by Molmil
Intact ATR/Mec1-ATRIP/Ddc2 complex
分子名称: DNA damage checkpoint protein LCD1, Serine/threonine-protein kinase MEC1
著者Wang, X, Ran, T, Cai, G.
登録日2017-02-22
公開日2017-12-20
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献3.9 angstrom structure of the yeast Mec1-Ddc2 complex, a homolog of human ATR-ATRIP.
Science, 358, 2017
8GTD
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BU of 8gtd by Molmil
Cryo-EM model of the marine siphophage vB_DshS-R4C portal-adaptor complex
分子名称: Head-to-tail joining protein, Portal protein
著者Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N.
登録日2022-09-08
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
8GTA
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BU of 8gta by Molmil
Cryo-EM structure of the marine siphophage vB_Dshs-R4C capsid
分子名称: Major capsid protein
著者Sun, H, Huang, Y, Zheng, Q, Li, S, Zhang, R, Xia, N.
登録日2022-09-07
公開日2023-07-12
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
8GTB
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BU of 8gtb by Molmil
Cryo-EM structure of the marine siphophage vB_DshS-R4C tail tube protein
分子名称: Major tail protein
著者Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N.
登録日2022-09-08
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
8GTC
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BU of 8gtc by Molmil
Cryo-EM model of the marine siphophage vB_DshS-R4C baseplate-tail complex
分子名称: Distal tail protein, Hub protein, Major tail protein, ...
著者Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N.
登録日2022-09-08
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
8GTF
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BU of 8gtf by Molmil
Cryo-EM model of the marine siphophage vB_DshS-R4C stopper-terminator complex
分子名称: Head-to-tail joining protein, Major tail protein, Terminator protein
著者Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N.
登録日2022-09-08
公開日2023-07-12
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (6.6 Å)
主引用文献Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
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
7XPQ
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BU of 7xpq by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD/UDP-GlcNAc
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Chen, Y.H, Wang, X.C, Zhang, C.R.
登録日2022-05-05
公開日2023-05-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
7XPO
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BU of 7xpo by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD/UDP-Glc
分子名称: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, ...
著者Chen, Y.H, Wang, X.C, Zhang, C.R.
登録日2022-05-05
公開日2023-05-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
7XPP
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BU of 7xpp by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase
著者Chen, Y.H, Wang, X.C, Zhang, C.R.
登録日2022-05-05
公開日2023-05-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
7UG2
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BU of 7ug2 by Molmil
Crystal structure of the coiled-coil domain of TRIM75
分子名称: ACETYL GROUP, ISOPROPYL ALCOHOL, Tripartite motif-containing protein 75
著者Lou, X.H, Ma, B.B, Zhuang, Y, Li, X.C.
登録日2022-03-23
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献Structural studies of the coiled-coil domain of TRIM75 reveal a tetramer architecture facilitating its E3 ligase complex.
Comput Struct Biotechnol J, 20, 2022
8FXF
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BU of 8fxf by Molmil
Crystal structure of the coiled-coil domain of TRIM56
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase TRIM56
著者Lou, X.H, Ma, B.B, Zhuang, Y, Li, X.C.
登録日2023-01-24
公開日2023-05-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献TRIM56 coiled-coil domain structure provides insights into its E3 ligase functions.
Comput Struct Biotechnol J, 21, 2023
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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