2Q6N
 
 | | Structure of Cytochrome P450 2B4 with Bound 1-(4-cholorophenyl)imidazole | | Descriptor: | 1-(4-CHLOROPHENYL)-1H-IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Zhao, Y, Sun, L, Muralidhara, B.K, Kumar, S, White, M.A, Stout, C.D, Halpert, J.R. | | Deposit date: | 2007-06-05 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural and thermodynamic consequences of 1-(4-chlorophenyl)imidazole binding to cytochrome P450 2B4.
Biochemistry, 46, 2007
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8H3T
 | | The crystal structure of AlpH | | Descriptor: | AlpH, GLYCEROL | | Authors: | Zhao, Y, Li, M, Jiang, M, Pan, L.F. | | Deposit date: | 2022-10-09 | | Release date: | 2023-09-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.866 Å) | | Cite: | O-methyltransferase-like enzyme catalyzed diazo installation in polyketide biosynthesis.
Nat Commun, 14, 2023
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5ZG9
 | | Crystal structure of MoSub1-ssDNA complex in phosphate buffer | | Descriptor: | DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*G)-3'), MoSub1, PHOSPHATE ION | | Authors: | Zhao, Y, Huang, J, Liu, H, Yi, L, Wang, S, Zhang, X, Liu, J. | | Deposit date: | 2018-03-08 | | Release date: | 2019-03-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | The effect of phosphate ion on the ssDNA binding mode of MoSub1, a Sub1/PC4 homolog from rice blast fungus.
Proteins, 87, 2019
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7W7O
 | | The crystal structure of human Calpain-1 protease core in complex with 14a | | Descriptor: | CALCIUM ION, Calpain-1 catalytic subunit, HYDROSULFURIC ACID, ... | | Authors: | Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z. | | Deposit date: | 2021-12-06 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | The crystal structure of human Calpain-1 protease core in complex with 14a
To Be Published
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7X79
 | | The crystal structure of human Calpain-1 protease core in complex with 14b | | Descriptor: | CALCIUM ION, Calpain-1 catalytic subunit, HYDROSULFURIC ACID, ... | | Authors: | Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z. | | Deposit date: | 2022-03-09 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structure of human Calpain-1 protease core in complex with 14a
To Be Published
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7X31
 | | solution structure of an anti-CRISPR protein | | Descriptor: | Anti-CRISPR protein (AcrIIC1) | | Authors: | Zhao, Y, Yang, F. | | Deposit date: | 2022-02-27 | | Release date: | 2022-10-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A redox switch regulates the assembly and anti-CRISPR activity of AcrIIC1.
Nat Commun, 13, 2022
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7D7L
 | | The crystal structure of SARS-CoV-2 papain-like protease in complex with YM155 | | Descriptor: | 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione, CAFFEINE, GLYCEROL, ... | | Authors: | Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H. | | Deposit date: | 2020-10-04 | | Release date: | 2021-04-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
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7D7K
 | | The crystal structure of SARS-CoV-2 papain-like protease in apo form | | Descriptor: | 1,2-ETHANEDIOL, CAFFEINE, Non-structural protein 3, ... | | Authors: | Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H. | | Deposit date: | 2020-10-04 | | Release date: | 2021-04-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
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7BLS
 | | Notum-maybridge_18 | | Descriptor: | 2-[(3-Nitro-2-pyridyl)thio]acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2021-01-18 | | Release date: | 2022-03-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Notum Fragment Screen
To Be Published
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7BLI
 | | Notum-Bepridil complex | | Descriptor: | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2021-01-18 | | Release date: | 2022-03-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Notum Fragment Screen
To Be Published
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7B8U
 | | Notum-Fragment 201 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-13 | | Release date: | 2022-01-12 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B8Z
 | | Notum-Fragment 277 | | Descriptor: | 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-13 | | Release date: | 2022-01-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B8Y
 | | Notum-Fragment 276 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-13 | | Release date: | 2022-01-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B8X
 | | Notum-Fragment 210 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-13 | | Release date: | 2022-01-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7BLT
 | | Notum_Maybridge_4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-~{tert}-butylphenyl)-1,2,4-oxadiazole-5-carbohydrazide, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2021-01-19 | | Release date: | 2022-03-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Notum Inhibitor
To Be Published
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7BN8
 | | Notum fragment_3 (4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2021-01-21 | | Release date: | 2022-03-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Notum Inhibitor
To Be Published
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7BND
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7BO1
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7BMD
 | | Notum TDZD8 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2021-01-20 | | Release date: | 2022-03-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Notum Inhibitor TDZD8
To Be Published
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7BNF
 | | Notum Cotinine | | Descriptor: | (5~{S})-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2021-01-22 | | Release date: | 2022-03-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Notum Inhibitor
To Be Published
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7BNE
 | | Notum Nicotine | | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2021-01-22 | | Release date: | 2022-03-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Notum Inhibitor
To Be Published
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7BLW
 | | Notum_Piperine complex | | Descriptor: | (2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2021-01-19 | | Release date: | 2022-03-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Notum Inhibitor
To Be Published
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7BMB
 | | Notum PPOH complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(2-prop-2-ynoxyphenyl)hexanoic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2021-01-19 | | Release date: | 2022-03-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Notum Inhibitor PPOH
To Be Published
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7BNJ
 | | Notum Riluzole | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2021-01-22 | | Release date: | 2022-03-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Notum Inhibitor
To Be Published
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7BM1
 | | Notum_Valsartan complex | | Descriptor: | (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2021-01-19 | | Release date: | 2022-03-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Notum Inhibitor
To Be Published
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