3CCB
 
 | | Crystal Structure of Human DPP4 in complex with a benzimidazole derivative | | Descriptor: | 1-biphenyl-2-ylmethanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wallace, M.B, Skene, R.J. | | Deposit date: | 2008-02-25 | | Release date: | 2008-10-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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5GMZ
 | | Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine | | Descriptor: | (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | | Authors: | Xu, Z.H, Zhou, Z. | | Deposit date: | 2016-07-18 | | Release date: | 2016-08-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors
J.Med.Chem., 59, 2016
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5C3N
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8GWO
 | | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | | Descriptor: | Helicase, Non-structural protein 7, Non-structural protein 8, ... | | Authors: | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | | Deposit date: | 2022-09-17 | | Release date: | 2022-11-30 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8GWG
 | | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ... | | Authors: | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | | Deposit date: | 2022-09-17 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8GWI
 | | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ... | | Authors: | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | | Deposit date: | 2022-09-17 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8GWB
 | | SARS-CoV-2 E-RTC complex with RNA-nsp9 | | Descriptor: | Helicase, MANGANESE (II) ION, Non-structural protein 7, ... | | Authors: | Yan, L.M, Rao, Z.H, Lou, Z.Y. | | Deposit date: | 2022-09-16 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8GWN
 | | A mechanism for SARS-CoV-2 RNA capping and its inhibitor of AT-527 | | Descriptor: | Helicase, Non-structural protein 7, Non-structural protein 8, ... | | Authors: | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | | Deposit date: | 2022-09-17 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8GWE
 | | SARS-CoV-2 E-RTC complex with RNA-nsp9 and GMPPNP | | Descriptor: | Helicase nsp13, MAGNESIUM ION, Non-structural protein 8, ... | | Authors: | Yan, L.M, Rao, Z.H, Lou, Z.Y. | | Deposit date: | 2022-09-16 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8GWF
 | | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ... | | Authors: | Yan, L.Y, Huang, Y.C, Rao, Z.H, Lou, Z.Y. | | Deposit date: | 2022-09-17 | | Release date: | 2023-01-11 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8GW1
 | | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | | Descriptor: | Helicase, MANGANESE (II) ION, Non-structural protein 7, ... | | Authors: | Yan, L, Rao, Z, Lou, Z. | | Deposit date: | 2022-09-16 | | Release date: | 2023-10-25 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8GWM
 | | SARS-CoV-2 E-RTC bound with MMP-nsp9 and GMPPNP | | Descriptor: | 2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate), Helicase, Non-structural protein 7, ... | | Authors: | Yan, L.M, Rao, Z.H, Lou, Z.Y. | | Deposit date: | 2022-09-17 | | Release date: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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8GWK
 | | SARS-CoV-2 RNA E-RTC complex with RMP-nsp9 and GMPPNP | | Descriptor: | Helicase, MAGNESIUM ION, Non-structural protein 7, ... | | Authors: | Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y. | | Deposit date: | 2022-09-17 | | Release date: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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6CG1
 | | Crystal Structure of KDM4A with Compound 14 | | Descriptor: | 3-{[(4-fluorophenyl)methyl]amino}pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | Authors: | Hosfield, D.J, Nie, Z. | | Deposit date: | 2018-02-19 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structure-based design and discovery of potent and selective KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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6CGW
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6CKS
 | | Crystal Structure of BRD4 with QC4956 | | Descriptor: | 4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-1(2H)-one, Bromodomain-containing protein 4 | | Authors: | Hosfield, D.J. | | Deposit date: | 2018-02-28 | | Release date: | 2018-05-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Design, synthesis and biological evaluation of novel 4-phenylisoquinolinone BET bromodomain inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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6CHC
 | | JzTx-V toxin peptide, wild-type | | Descriptor: | Beta/kappa-theraphotoxin-Cg2a | | Authors: | Jordan, J.B. | | Deposit date: | 2018-02-22 | | Release date: | 2018-05-16 | | Last modified: | 2024-10-23 | | Method: | SOLUTION NMR | | Cite: | Pharmacological characterization of potent and selective NaV1.7 inhibitors engineered from Chilobrachys jingzhao tarantula venom peptide JzTx-V.
PLoS ONE, 13, 2018
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6CKR
 | | Crystal Structure of BRD4 with QC4956 | | Descriptor: | Bromodomain-containing protein 4, N-{3-[2-methyl-6-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide | | Authors: | Hosfield, D.J. | | Deposit date: | 2018-02-28 | | Release date: | 2018-05-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Design, synthesis and biological evaluation of novel 4-phenylisoquinolinone BET bromodomain inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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6D3J
 | | FT_T dioxygenase holoenzyme | | Descriptor: | 2-OXOGLUTARIC ACID, COBALT (II) ION, FT_T dioxygenase | | Authors: | Rydel, T.J, Halls, C.E. | | Deposit date: | 2018-04-16 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
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6D3M
 | | FT_T dioxygenase with bound quizalofop | | Descriptor: | (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid, 2-OXOGLUTARIC ACID, CHLORIDE ION, ... | | Authors: | Rydel, T.J, Halls, C.E. | | Deposit date: | 2018-04-16 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
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6D3I
 | | ftv7 dioxygenase with 2,4-D bound | | Descriptor: | (2,4-DICHLOROPHENOXY)ACETIC ACID, 2-OXOGLUTARIC ACID, COBALT (II) ION, ... | | Authors: | Rydel, T.J, Halls, C.E. | | Deposit date: | 2018-04-16 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.196 Å) | | Cite: | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
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5VGI
 | | Crystal Structure of KDM4 with the Small Molecule Inhibitor QC6352 | | Descriptor: | 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | Authors: | Hosfield, D.J. | | Deposit date: | 2017-04-11 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
ACS Med Chem Lett, 8, 2017
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6CG2
 | | Crystal Structure of KDM4A with Compound 8 | | Descriptor: | 2-[5-(3-hydroxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | Authors: | Hosfield, D.J, Nie, Z. | | Deposit date: | 2018-02-19 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structure-based design and discovery of potent and selective KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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5VMP
 | | Crystal Structure of Human KDM4 with Small Molecule Inhibitor QC5714 | | Descriptor: | 3-({[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | Authors: | Hosfield, D.J. | | Deposit date: | 2017-04-28 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
ACS Med Chem Lett, 8, 2017
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6C54
 | | Ebola nucleoprotein nucleocapsid-like assembly and the asymmetric unit | | Descriptor: | Nucleoprotein | | Authors: | Su, Z, Wu, C, Pintilie, G.D, Chiu, W, Amarasinghe, G.K, Leung, D.W. | | Deposit date: | 2018-01-13 | | Release date: | 2018-03-07 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (5.8 Å) | | Cite: | Electron Cryo-microscopy Structure of Ebola Virus Nucleoprotein Reveals a Mechanism for Nucleocapsid-like Assembly.
Cell, 172, 2018
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