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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
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
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
6KEG
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BU of 6keg by Molmil
BRD4 Bromodomain1 with an inhibitor
分子名称: 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4H-pyrrolo[1,2-a]pyrazin-1-one, Bromodomain-containing protein 4
著者Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C.
登録日2019-07-04
公開日2020-07-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.232 Å)
主引用文献BRD4 Bromodomain1 with an inhibitor
To Be Published
6KEF
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BU of 6kef by Molmil
BRD4 Bromodomain1 with an inhibitor
分子名称: Bromodomain-containing protein 4, N-[3-(8-methyl-1-oxidanylidene-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide
著者Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C.
登録日2019-07-04
公開日2020-07-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.44467545 Å)
主引用文献BRD4 Bromodomain1 with an inhibitor
To Be Published
6KED
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BU of 6ked by Molmil
BRD4 Bromodomain1 with an inhibitor
分子名称: 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one, Bromodomain-containing protein 4
著者Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C.
登録日2019-07-04
公開日2020-07-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.548447 Å)
主引用文献BRD4 Bromodomain1 with an inhibitor
To Be Published
6LQX
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BU of 6lqx by Molmil
Crystal structure of the CBP bromodomain in complex with small molecule LC-CPin7
分子名称: (1~{S},6~{R})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid, CREB-binding protein, SODIUM ION
著者Chen, Y, Zhang, F, Sun, Z, Bi, X, Luo, C.
登録日2020-01-14
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Design, synthesis and biological evaluation of novel small molecule inhibitor of the CBP bromodomain with possible anti-leukemia effects
To Be Published
6LU5
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BU of 6lu5 by Molmil
Crystal structure of BPTF-BRD with ligand DCBPin5 bound
分子名称: 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
著者Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
登録日2020-01-25
公開日2021-04-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.86527729 Å)
主引用文献Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
6LU6
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BU of 6lu6 by Molmil
Crystal structure of BPTF-BRD with ligand DCBPin5-2 bound
分子名称: 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
著者Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
登録日2020-01-26
公開日2021-04-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.970063 Å)
主引用文献Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
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
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
7F5C
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BU of 7f5c by Molmil
Crystal structure of BPTF-BRD with ligand DC-BPi-07 bound
分子名称: 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
著者Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65004492 Å)
主引用文献Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
7F5D
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BU of 7f5d by Molmil
Crystal structure of BPTF-BRD with ligand DC-BPi-03 bound
分子名称: 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
著者Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.57150865 Å)
主引用文献Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
7F5E
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BU of 7f5e by Molmil
Crystal structure of BPTF-BRD with ligand DC-BPi-11 bound
分子名称: N,N-dimethyl-3-[5-(2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]propan-1-amine, Nucleosome-remodeling factor subunit BPTF
著者Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.20017123 Å)
主引用文献Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
2IOO
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BU of 2ioo by Molmil
Crystal structure of the mouse p53 core domain
分子名称: Cellular tumor antigen p53, ZINC ION
著者Ho, W.C, Luo, C, Zhao, K, Chai, X, Fitzgerald, M.X, Marmorstein, R.
登録日2006-10-10
公開日2006-12-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献High-resolution structure of the p53 core domain: implications for binding small-molecule stabilizing compounds.
Acta Crystallogr.,Sect.D, 62, 2006
2IOI
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BU of 2ioi by Molmil
Crystal structure of the mouse p53 core domain at 1.55 A
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cellular tumor antigen p53, ZINC ION
著者Ho, W.C, Luo, C, Zhao, K, Chai, X, Fitzgerald, M.X, Marmorstein, R.
登録日2006-10-10
公開日2006-12-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献High-resolution structure of the p53 core domain: implications for binding small-molecule stabilizing compounds.
Acta Crystallogr.,Sect.D, 62, 2006
2IOM
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BU of 2iom by Molmil
Mouse p53 core domain soaked with 2-propanol
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cellular tumor antigen p53, ISOPROPYL ALCOHOL, ...
著者Ho, W.C, Luo, C, Zhao, K, Chai, X, Fitzgerald, M.X, Marmorstein, R.
登録日2006-10-10
公開日2006-12-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-resolution structure of the p53 core domain: implications for binding small-molecule stabilizing compounds.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
3IIQ
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BU of 3iiq by Molmil
Crystallographic analysis of bacterial signal peptidase in ternary complex with Arylomycin A2 and a beta-sultam inhibitor
分子名称: 10-METHYLUNDECANOIC ACID, 4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine, ACETONITRILE, ...
著者Paetzel, M.
登録日2009-08-03
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic Analysis of Bacterial Signal Peptidase in Ternary Complex with Arylomycin A2 and a Beta-Sultam Inhibitor.
Biochemistry, 48, 2009
8E85
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BU of 8e85 by Molmil
Human DNA polymerase eta-DNA-rG-ended primer-dGMPNPP ternary mismatch complex with Mn2+
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*AP*TP*TP*CP*TP*GP*AP*CP*GP*CP*T)-3'), DNA polymerase eta, ...
著者Chang, C, Gao, Y.
登録日2022-08-25
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase eta and reduces DNA synthesis fidelity.
J.Biol.Chem., 299, 2023
8E89
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BU of 8e89 by Molmil
Human DNA polymerase eta-DNA-rU-ended primer-binary complex
分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA polymerase eta, DNA/RNA (5'-D(*AP*GP*CP*GP*TP*CP*A)-R(P*U)-3')
著者Chang, C, Gao, Y.
登録日2022-08-25
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase eta and reduces DNA synthesis fidelity.
J.Biol.Chem., 299, 2023
8E8E
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BU of 8e8e by Molmil
Human DNA polymerase eta-DNA-rU-ended primer ternary mismatch complex:reaction with 10 mM Mn2+ for 90s
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DIPHOSPHATE, DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
著者Chang, C, Gao, Y.
登録日2022-08-25
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase eta and reduces DNA synthesis fidelity.
J.Biol.Chem., 299, 2023
8E8K
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BU of 8e8k by Molmil
Human DNA polymerase eta-DNA-rC-ended primer-dGMPNPP ternary mismatch complex with Mg2+
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*AP*TP*TP*GP*TP*GP*AP*CP*GP*CP*T)-3'), DNA polymerase eta, ...
著者Chang, C, Gao, Y.
登録日2022-08-25
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase eta and reduces DNA synthesis fidelity.
J.Biol.Chem., 299, 2023
8E8B
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BU of 8e8b by Molmil
Human DNA polymerase eta-DNA-rU-ended primer ternary mismatch complex:ground state at pH7.0 (K+ MES) with 1 Ca2+ ion
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
著者Chang, C, Gao, Y.
登録日2022-08-25
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase eta and reduces DNA synthesis fidelity.
J.Biol.Chem., 299, 2023

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件を2024-05-15に公開中

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