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6CV0
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BU of 6cv0 by Molmil
Cryo-electron microscopy structure of infectious bronchitis coronavirus spike protein
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shang, J, Zheng, Y, Yang, Y, Liu, C, Geng, Q, Luo, C, Zhang, W, Li, F.
登録日2018-03-27
公開日2018-04-18
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.93 Å)
主引用文献Cryo-EM structure of infectious bronchitis coronavirus spike protein reveals structural and functional evolution of coronavirus spike proteins.
PLoS Pathog., 14, 2018
7KXT
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BU of 7kxt by Molmil
Crystal structure of human EED
分子名称: 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine, Polycomb protein EED, UNKNOWN ATOM OR ION
著者Zhu, L, Dong, A, Du, D, Liu, Y, Luo, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2020-12-04
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Development of Small-Molecule PRC2 Inhibitors Targeting EZH2-EED Interaction.
J.Med.Chem., 64, 2021
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
5XAF
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BU of 5xaf by Molmil
Crystal structure of tubulin-stathmin-TTL-Compound Z1 complex
分子名称: (3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Zhang, H, Luo, C, Wang, Y.
登録日2017-03-12
公開日2017-12-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.551 Å)
主引用文献Design, synthesis, biological evaluation and cocrystal structures with tubulin of chiral beta-lactam bridged combretastatin A-4 analogues as potent antitumor agents
Eur J Med Chem, 144, 2017
5XAG
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BU of 5xag by Molmil
Crystal structure of tubulin-stathmin-TTL-Compound Z2 complex
分子名称: (3~{R},4~{R})-3-(hydroxymethyl)-4-(4-methoxy-3-oxidanyl-phenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Zhang, H, Luo, C, Wang, Y.
登録日2017-03-12
公開日2018-01-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Design, synthesis, biological evaluation and cocrystal structures with tubulin of chiral beta-lactam bridged combretastatin A-4 analogues as potent antitumor agents
Eur J Med Chem, 144, 2017
5MEI
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BU of 5mei by Molmil
Crystal structure of Agelastatin A bound to the 80S ribosome
分子名称: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
著者McClary, B, Zinshteyn, B, Meyer, M, Jouanneau, M, Pellegrino, S, Yusupova, G, Schuller, A, Reyes, J.C.P, Lu, J, Luo, C, Dang, Y, Romo, D, Yusupov, M, Green, R, Liu, J.O.
登録日2016-11-15
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Inhibition of Eukaryotic Translation by the Antitumor Natural Product Agelastatin A.
Cell Chem Biol, 24, 2017
1IA8
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BU of 1ia8 by Molmil
THE 1.7 A CRYSTAL STRUCTURE OF HUMAN CELL CYCLE CHECKPOINT KINASE CHK1
分子名称: CHK1 CHECKPOINT KINASE, SULFATE ION
著者Chen, P, Luo, C, Deng, Y, Ryan, K, Register, J, Margosiak, S, Tempczyk-Russell, A, Nguyen, B, Myers, P, Lundgren, K, Chen Kan, C.-C, O'Connor, P.M.
登録日2001-03-22
公開日2001-04-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The 1.7 A crystal structure of human cell cycle checkpoint kinase Chk1: implications for Chk1 regulation.
Cell(Cambridge,Mass.), 100, 2000
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
4GXO
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BU of 4gxo by Molmil
Crystal structure of Staphylococcus aureus protein SarZ mutant C13E
分子名称: GLYCEROL, MarR family regulatory protein
著者Sun, F, Ding, Y, Ji, Q, Liang, Z, Deng, X, Wong, C.C, Yi, C, Zhang, L, Xie, S, Alvarez, S, Hicks, L.M, Luo, C, Jiang, H, Lan, L, He, C.
登録日2012-09-04
公開日2012-09-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Protein cysteine phosphorylation of SarA/MgrA family transcriptional regulators mediates bacterial virulence and antibiotic resistance.
Proc.Natl.Acad.Sci.USA, 109, 2012
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
8JN8
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BU of 8jn8 by Molmil
Crystal structure of c-Src in complex with covalent inhibitor DC-Srci-6668
分子名称: (2R)-N-cyclopentyl-2-[cyclopropyl(ethanoyl)amino]-2-(4-fluorophenyl)ethanamide, Proto-oncogene tyrosine-protein kinase Src
著者Zhang, H.M, Luo, C.
登録日2023-06-06
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献The crystal structure of c-Src in complex with covalent inhibitor DC-Srci-6668
To Be Published
8JN9
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BU of 8jn9 by Molmil
Crystal structure of c-Src in complex with covalent inhibitor LW-Srci-8
分子名称: N-[(1R)-1-[3,5-bis(fluoranyl)phenyl]-2-(cyclopentylamino)-2-oxidanylidene-ethyl]-N-cyclopropyl-prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src
著者Zhang, H.M, Luo, C.
登録日2023-06-06
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.724 Å)
主引用文献The crystal structure of c-Src in complex with covalent inhibitor LW-Srci-8
To Be Published
7WZC
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BU of 7wzc by Molmil
An open conformation Form2 of switch II for RhoA GDP-bound state
分子名称: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Jiang, H, Luo, C.
登録日2022-02-17
公開日2023-02-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79944921 Å)
主引用文献A RhoA structure with switch II flipped outward revealed the conformational dynamics of switch II region.
J.Struct.Biol., 215, 2023
7WZA
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BU of 7wza by Molmil
An open conformation Form 1 of switch II for RhoA
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA
著者Jiang, H, Luo, C.
登録日2022-02-17
公開日2023-02-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.50028777 Å)
主引用文献A RhoA structure with switch II flipped outward revealed the conformational dynamics of switch II region.
J.Struct.Biol., 215, 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
5Z4P
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BU of 5z4p by Molmil
Crystal structure of tubulin-stathmin-TTL-Compound TCA complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-2~{H}-benzo[e]indazole, CALCIUM ION, ...
著者Zhang, H, Luo, C.
登録日2018-01-12
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery and Design of novel Tubulin inhibitors
To Be Published
7WEU
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BU of 7weu by Molmil
Crystal structure of Peroxiredoxin I in complex with compound 19-048
分子名称: Peroxiredoxin-1, UNKNOWN LIGAND
著者Zhang, H, Luo, C.
登録日2021-12-24
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Celastrol suppresses colorectal cancer via covalent targeting peroxiredoxin 1.
Signal Transduct Target Ther, 8, 2023
7WET
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BU of 7wet by Molmil
Crystal structure of Peroxiredoxin I in complex with the inhibitor Cela
分子名称: (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid, Peroxiredoxin-1
著者Zhang, H, Luo, C.
登録日2021-12-24
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Celastrol suppresses colorectal cancer via covalent targeting peroxiredoxin 1.
Signal Transduct Target Ther, 8, 2023
3COQ
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BU of 3coq by Molmil
Structural Basis for Dimerization in DNA Recognition by Gal4
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*DAP*DCP*DCP*DGP*DGP*DAP*DGP*DGP*DAP*DCP*DAP*DGP*DTP*DCP*DCP*DTP*DCP*DCP*DGP*DG)-3'), DNA (5'-D(*DTP*DCP*DCP*DGP*DGP*DAP*DGP*DGP*DAP*DCP*DTP*DGP*DTP*DCP*DCP*DTP*DCP*DCP*DGP*DG)-3'), ...
著者Hong, M, Fitzgerald, M.X, Harper, S, Luo, C, Speicher, D.W.
登録日2008-03-29
公開日2008-07-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for dimerization in DNA recognition by gal4.
Structure, 16, 2008
7CPD
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BU of 7cpd by Molmil
Crystal structure of T2R-TTL-(+)-6-Br-JP18 complex
分子名称: (6R)-6-[(6-bromanyl-1H-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Jiang, H, Luo, C.
登録日2020-08-06
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.506 Å)
主引用文献Crystal structure of T2R-TTL-(+)-6-Br-JP18 complex
To Be Published
7CPQ
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BU of 7cpq by Molmil
crystal structure of T2R-TTL-(+)-6-Cl-JP18 complex
分子名称: (6R)-6-[(6-chloranyl-1H-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Jiang, H, Luo, C.
登録日2020-08-07
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.595 Å)
主引用文献crystal structure of T2R-TTL-(+)-6-Cl-JP18 complex
To Be Published
7DPO
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BU of 7dpo by Molmil
Crystal Structure of BRD2(BD2)with Ligand ZB-BD-224 bound
分子名称: 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2H)-one, Bromodomain-containing protein 2
著者Li, Z, Lu, T, Chen, P, Luo, C, Zhou, B.
登録日2020-12-21
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.29994035 Å)
主引用文献Structure Base Design of A new chemotype of Four-Cycle Compounds as Bromodomain and Extra-Terminal (BET) Inhibitors with The Second Bromodomain Bias and Highly Anti-inflammatory Potency
To Be Published
7DPN
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BU of 7dpn by Molmil
Crystal structure of BRD2(BD1)with ligand ZB-BD-224 bound
分子名称: 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2H)-one, Bromodomain-containing protein 2
著者Li, Z, Lu, T, Chen, P, Luo, C, Zhou, B.
登録日2020-12-20
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79998839 Å)
主引用文献Structure Base Design of A new chemotype of Four-Cycle Compounds as Bromodomain and Extra-Terminal (BET) Inhibitors with The Second Bromodomain Bias and Highly Anti-inflammatory Potency
To Be Published

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件を2024-09-25に公開中

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