3S04
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2IOO
| Crystal structure of the mouse p53 core domain | Descriptor: | Cellular tumor antigen p53, ZINC ION | Authors: | Ho, W.C, Luo, C, Zhao, K, Chai, X, Fitzgerald, M.X, Marmorstein, R. | Deposit date: | 2006-10-10 | Release date: | 2006-12-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | High-resolution structure of the p53 core domain: implications for binding small-molecule stabilizing compounds. Acta Crystallogr.,Sect.D, 62, 2006
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2IOI
| Crystal structure of the mouse p53 core domain at 1.55 A | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cellular tumor antigen p53, ZINC ION | Authors: | Ho, W.C, Luo, C, Zhao, K, Chai, X, Fitzgerald, M.X, Marmorstein, R. | Deposit date: | 2006-10-10 | Release date: | 2006-12-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | High-resolution structure of the p53 core domain: implications for binding small-molecule stabilizing compounds. Acta Crystallogr.,Sect.D, 62, 2006
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2IOM
| Mouse p53 core domain soaked with 2-propanol | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cellular tumor antigen p53, ISOPROPYL ALCOHOL, ... | Authors: | Ho, W.C, Luo, C, Zhao, K, Chai, X, Fitzgerald, M.X, Marmorstein, R. | Deposit date: | 2006-10-10 | Release date: | 2006-12-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-resolution structure of the p53 core domain: implications for binding small-molecule stabilizing compounds. ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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7CPD
| Crystal structure of T2R-TTL-(+)-6-Br-JP18 complex | Descriptor: | (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, ... | Authors: | Jiang, H, Luo, C. | Deposit date: | 2020-08-06 | Release date: | 2021-08-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.506 Å) | Cite: | Crystal structure of T2R-TTL-(+)-6-Br-JP18 complex To Be Published
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7CPQ
| crystal structure of T2R-TTL-(+)-6-Cl-JP18 complex | Descriptor: | (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, ... | Authors: | Jiang, H, Luo, C. | Deposit date: | 2020-08-07 | Release date: | 2021-08-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.595 Å) | Cite: | crystal structure of T2R-TTL-(+)-6-Cl-JP18 complex To Be Published
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7DPO
| Crystal Structure of BRD2(BD2)with Ligand ZB-BD-224 bound | Descriptor: | 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 | Authors: | Li, Z, Lu, T, Chen, P, Luo, C, Zhou, B. | Deposit date: | 2020-12-21 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.29994035 Å) | Cite: | 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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7DPN
| Crystal structure of BRD2(BD1)with ligand ZB-BD-224 bound | Descriptor: | 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 | Authors: | Li, Z, Lu, T, Chen, P, Luo, C, Zhou, B. | Deposit date: | 2020-12-20 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79998839 Å) | Cite: | 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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7F5D
| Crystal structure of BPTF-BRD with ligand DC-BPi-03 bound | Descriptor: | 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | Deposit date: | 2021-06-21 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.57150865 Å) | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins To Be Published
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7F5C
| Crystal structure of BPTF-BRD with ligand DC-BPi-07 bound | Descriptor: | 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | Deposit date: | 2021-06-21 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65004492 Å) | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins To Be Published
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7F5E
| Crystal structure of BPTF-BRD with ligand DC-BPi-11 bound | Descriptor: | 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 | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | Deposit date: | 2021-06-21 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.20017123 Å) | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins To Be Published
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5XAF
| Crystal structure of tubulin-stathmin-TTL-Compound Z1 complex | Descriptor: | (3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Zhang, H, Luo, C, Wang, Y. | Deposit date: | 2017-03-12 | Release date: | 2017-12-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.551 Å) | Cite: | 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
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6KX3
| Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate | Authors: | Zhang, H, Luo, C. | Deposit date: | 2019-09-09 | Release date: | 2020-08-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.981 Å) | Cite: | Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion. Adv Sci, 7, 2020
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6KX2
| Crystal structure of GDP bound RhoA protein | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA | Authors: | Zhang, H, Luo, C. | Deposit date: | 2019-09-09 | Release date: | 2020-08-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.454 Å) | Cite: | Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion. Adv Sci, 7, 2020
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6K05
| Crystal structure of BRD2(BD1)with ligand BY27 bound | Descriptor: | (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2 | Authors: | Lu, T, Lu, W, Chen, D, Zhao, Y, Luo, C. | Deposit date: | 2019-05-05 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.935 Å) | Cite: | Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins. Eur.J.Med.Chem., 182, 2019
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6K04
| Crystal structure of BRD2(BD2)with ligand BY27 bound | Descriptor: | (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine, Bromodomain-containing protein 2 | Authors: | Lu, T, Lu, W, Chen, D, Zhao, Y, Luo, C. | Deposit date: | 2019-05-05 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.251 Å) | Cite: | Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins. Eur.J.Med.Chem., 182, 2019
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6KEF
| BRD4 Bromodomain1 with an inhibitor | Descriptor: | Bromodomain-containing protein 4, N-[3-(8-methyl-1-oxidanylidene-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide | Authors: | Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C. | Deposit date: | 2019-07-04 | Release date: | 2020-07-08 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.44467545 Å) | Cite: | BRD4 Bromodomain1 with an inhibitor To Be Published
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6KED
| BRD4 Bromodomain1 with an inhibitor | Descriptor: | 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 | Authors: | Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C. | Deposit date: | 2019-07-04 | Release date: | 2020-07-08 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.548447 Å) | Cite: | BRD4 Bromodomain1 with an inhibitor To Be Published
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6KEE
| Crystal structure of BRD4 Bromodomain1 with an inhibitor | Descriptor: | 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one, Bromodomain-containing protein 4 | Authors: | Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C. | Deposit date: | 2019-07-04 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.12154651 Å) | Cite: | Crystal structure of BRD4 Bromodomain1 with an inhibitor To be published
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6KEG
| BRD4 Bromodomain1 with an inhibitor | Descriptor: | 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 | Authors: | Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C. | Deposit date: | 2019-07-04 | Release date: | 2020-07-08 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.232 Å) | Cite: | BRD4 Bromodomain1 with an inhibitor To Be Published
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3ST9
| Crystal structure of ClpP in heptameric form from Staphylococcus aureus | Descriptor: | ATP-dependent Clp protease proteolytic subunit, CALCIUM ION, GLYCEROL, ... | Authors: | Zhang, J, Ye, F, Lan, L, Jiang, H, Luo, C, Yang, C.-G. | Deposit date: | 2011-07-09 | Release date: | 2011-09-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural switching of Staphylococcus aureus Clp protease: a key to understanding protease dynamics J.Biol.Chem., 286, 2011
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8X73
| Crystal structure of Peroxiredoxin I in complex with compound 19-069 | Descriptor: | Peroxiredoxin-1, methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]-3-oxidanyl-propanoate | Authors: | Zhang, H, Luo, C. | Deposit date: | 2023-11-22 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Discovery of a Novel Orally Bioavailable FLT3-PROTAC Degrader for Efficient Treatment of Acute Myeloid Leukemia and Overcoming Resistance of FLT3 Inhibitors. J.Med.Chem., 67, 2024
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8X71
| Crystal structure of Peroxiredoxin I in complex with compound 19-064 | Descriptor: | Peroxiredoxin-1, methyl 3-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]oxetane-3-carboxylate | Authors: | Zhang, H, Luo, C. | Deposit date: | 2023-11-22 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Discovery of a Novel Orally Bioavailable FLT3-PROTAC Degrader for Efficient Treatment of Acute Myeloid Leukemia and Overcoming Resistance of FLT3 Inhibitors. J.Med.Chem., 67, 2024
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1C1V
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1C1W
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