7DB7
 
 | | Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase in complex with compound GDI05-001 | | Descriptor: | 1-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, ... | | Authors: | Xu, M, Zhang, X, Xu, L, Chen, S. | | Deposit date: | 2020-10-19 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis .
J.Biol.Chem., 2021
|
|
4H6Y
 | | Crystal structure of the DH-PH-PH domain of FARP1 | | Descriptor: | FERM, RhoGEF and pleckstrin domain-containing protein 1 | | Authors: | He, X, Zhang, X. | | Deposit date: | 2012-09-19 | | Release date: | 2013-03-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (4.09 Å) | | Cite: | Structural Basis for Autoinhibition of the Guanine Nucleotide Exchange Factor FARP2.
Structure, 21, 2013
|
|
3UUO
 | | The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10 inhibitors for the treatment of Schizophrenia | | Descriptor: | 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Ho, G.D, Yang, S, Smotryski, J, Bercovici, A, Nechuta, T, Smith, E.M, McElroy, W, Tan, Z, Tulshian, D, Mckittrick, B, Greenlee, W.J, Hruza, A, Xiao, L, Rindgen, D, Guzzi, M, Zhang, X, Bleickardt, C, Mullins, D, Hodgson, R. | | Deposit date: | 2011-11-28 | | Release date: | 2012-01-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The discovery of potent, selective, and orally active pyrazoloquinolines as PDE10A inhibitors for the treatment of Schizophrenia.
Bioorg.Med.Chem.Lett., 22, 2012
|
|
1RYJ
 | | Solution NMR Structure of Protein Mth1743 from Methanobacterium thermoautotrophicum. Ontario Centre for Structural Proteomics target MTH1743_1_70; Northeast Structural Genomics Consortium Target TT526. | | Descriptor: | unknown | | Authors: | Yee, A, Chang, X, Pineda-Lucena, A, Wu, B, Semesi, A, Le, B, Ramelot, T, Lee, G.M, Bhattacharyya, S, Gutierrez, P, Denisov, A, Lee, C.H, Cort, J.R, Kozlov, G, Liao, J, Finak, G, Chen, L, Wishart, D, Lee, W, McIntosh, L.P, Gehring, K, Kennedy, M.A, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-12-22 | | Release date: | 2004-02-24 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | AN NMR APPROACH TO STRUCTURAL PROTEOMICS
Proc.Natl.Acad.Sci.USA, 99, 2002
|
|
8W9F
 | |
8W9E
 | |
8W9C
 | | Cryo-EM structure of the Rpd3S complex from budding yeast | | Descriptor: | Chromatin modification-related protein EAF3, Histone deacetylase RPD3, POTASSIUM ION, ... | | Authors: | Wang, C, Zhan, X. | | Deposit date: | 2023-09-05 | | Release date: | 2024-05-15 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structures and dynamics of Rpd3S complex bound to nucleosome.
Sci Adv, 10, 2024
|
|
8W9D
 | |
7DAW
 | | Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase | | Descriptor: | Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, SULFATE ION | | Authors: | Xu, M, Zhang, X, Xu, L, Chen, S. | | Deposit date: | 2020-10-18 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis .
J.Biol.Chem., 2021
|
|
7DB8
 | | Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase in complex with compound PF-3845 | | Descriptor: | N-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, ... | | Authors: | Xu, M, Zhang, X, Xu, L, Chen, S. | | Deposit date: | 2020-10-19 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis .
J.Biol.Chem., 2021
|
|
7X0Y
 | |
7X0X
 | |
7XKG
 | | Crystal structure of an intramolecular mesacyl-CoA transferase from the 3-hydroxypropionic acid cycle of Roseiflexus castenholzii | | Descriptor: | Acyl-CoA transferase/carnitine dehydratase-like protein | | Authors: | Min, Z.Z, Fan, C.P, Wu, W.P, Xin, Y.Y, Liu, M.H, Zhang, X, Wang, Z.G, Xu, X.L. | | Deposit date: | 2022-04-19 | | Release date: | 2022-06-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of an Intramolecular Mesaconyl-Coenzyme A Transferase From the 3-Hydroxypropionic Acid Cycle of Roseiflexus castenholzii .
Front Microbiol, 13, 2022
|
|
7XU2
 | | Structure of SARS-CoV-2 Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Locked-2 Conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | | Deposit date: | 2022-05-18 | | Release date: | 2022-07-20 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike.
Plos Pathog., 18, 2022
|
|
7XU0
 | | Structure of SARS-CoV-2 Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Locked-211 Conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | | Deposit date: | 2022-05-18 | | Release date: | 2022-07-20 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike.
Plos Pathog., 18, 2022
|
|
5YC6
 | | The crystal structure of uPA in complex with 4-Bromobenzylamirne at pH4.6 | | Descriptor: | 1-(4-BROMOPHENYL)METHANAMINE, SULFATE ION, TRIETHYLENE GLYCOL, ... | | Authors: | Jiang, L.G, Zhang, X, Huang, M.D. | | Deposit date: | 2017-09-06 | | Release date: | 2018-10-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases
Rsc Adv, 8, 2018
|
|
7VKM
 | | Crystal structure of TrkA (G595R) kinase domain | | Descriptor: | Tyrosine-protein kinase receptor | | Authors: | Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A. | | Deposit date: | 2021-09-30 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
|
|
7VKO
 | | Crystal structure of TrkA kinase with repotrectinib | | Descriptor: | Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor | | Authors: | Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A. | | Deposit date: | 2021-09-30 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
|
|
7VKN
 | | Crystal structure of TrkA (G595R) kinase with repotrectinib | | Descriptor: | Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor | | Authors: | Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A. | | Deposit date: | 2021-09-30 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
|
|
4HIN
 | | 2.4A Resolution Structure of Bovine Cytochrome b5 (S71L) | | Descriptor: | COPPER (II) ION, Cytochrome b5, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lovell, S, Battaile, K.P, Parthasarathy, S, Sun, N, Terzyan, S, Zhang, X, Rivera, M, Kuczera, K, Benson, D.R. | | Deposit date: | 2012-10-11 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 2.4A Resolution Structure of Bovine Cytochrome b5 (S71L)
To be Published
|
|
6IWW
 | | Cryo-EM structure of the S. typhimurium oxaloacetate decarboxylase beta-gamma sub-complex | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Oxaloacetate decarboxylase beta chain, Probable oxaloacetate decarboxylase gamma chain | | Authors: | Xu, X, Shi, H, Zhang, X, Xiang, S. | | Deposit date: | 2018-12-08 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural insights into sodium transport by the oxaloacetate decarboxylase sodium pump.
Elife, 9, 2020
|
|
7W5S
 | | A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE (II) ION, ... | | Authors: | Dai, L.H, Zhang, X, Hu, Y.M, Huang, J.W, Chen, C.C, Guo, R.T. | | Deposit date: | 2021-11-30 | | Release date: | 2022-04-13 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates.
Appl.Environ.Microbiol., 88, 2022
|
|
7W5T
 | | A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates | | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Dai, L.H, Zhang, X, Hu, Y.M, Huang, J.W, Chen, C.C, Guo, R.T. | | Deposit date: | 2021-11-30 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates.
Appl.Environ.Microbiol., 88, 2022
|
|
7W5V
 | | A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE (III) ION, ... | | Authors: | Dai, L.H, Zhang, X, Hu, Y.M, Huang, J.W, Chen, C.C, Guo, R.T. | | Deposit date: | 2021-11-30 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates.
Appl.Environ.Microbiol., 88, 2022
|
|
5YC7
 | |
