8XFD
 
 | | Crystal structure of pyruvate kinase tetramer in complex with allosteric activator, Mitapivat (MTPV, AG-348) | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Isoform L-type of Pyruvate kinase PKLR, MAGNESIUM ION, ... | | Authors: | Sun, R, Achour, A. | | Deposit date: | 2023-12-13 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | High Resolution Crystal Structure of the Pyruvate Kinase Tetramer in Complex with the Allosteric Activator Mitapivat/AG-348
Crystals, 2024
|
|
8X3S
 | | Crystal structure of human WDR5 in complex with PTEN | | Descriptor: | Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, WD repeat-containing protein 5 | | Authors: | Liu, Y, Huang, X, Shang, X. | | Deposit date: | 2023-11-14 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | The NTE domain of PTEN alpha / beta promotes cancer progression by interacting with WDR5 via its SSSRRSS motif.
Cell Death Dis, 15, 2024
|
|
8X3R
 | | Crystal structure of human WDR5 in complex with WDR5 | | Descriptor: | WD repeat-containing protein 5 | | Authors: | Liu, Y, Huang, X. | | Deposit date: | 2023-11-14 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | The NTE domain of PTEN alpha / beta promotes cancer progression by interacting with WDR5 via its SSSRRSS motif.
Cell Death Dis, 15, 2024
|
|
7P1I
 | | Cryo EM structure of bison NHA2 in detergent and N-terminal extension helix | | Descriptor: | mitochondrial sodium/hydrogen exchanger 9B2 | | Authors: | Matsuoka, R, Fudim, R, Jung, S, Drew, D. | | Deposit date: | 2021-07-01 | | Release date: | 2022-01-26 | | Last modified: | 2022-03-02 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2.
Nat.Struct.Mol.Biol., 29, 2022
|
|
7P1J
 | | Cryo EM structure of bison NHA2 in detergent structure | | Descriptor: | mitochondrial sodium/hydrogen exchanger 9B2 | | Authors: | Matsuoka, R, Fudim, R, Jung, S, Drew, D. | | Deposit date: | 2021-07-01 | | Release date: | 2022-01-26 | | Last modified: | 2022-03-02 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2.
Nat.Struct.Mol.Biol., 29, 2022
|
|
7P1K
 | | Cryo EM structure of bison NHA2 in nano disc structure | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Phosphatidylinositol, mitochondrial sodium/hydrogen exchanger 9B2 | | Authors: | Matsuoka, R, Fudim, R, Jung, S, Drew, D. | | Deposit date: | 2021-07-01 | | Release date: | 2022-01-26 | | Last modified: | 2022-03-02 | | Method: | ELECTRON MICROSCOPY (3.64 Å) | | Cite: | Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2.
Nat.Struct.Mol.Biol., 29, 2022
|
|
5Z4Y
 | |
5Z50
 | | Crystal structure of PaCysB regulatory domain | | Descriptor: | Cys regulon transcriptional activator, GLYCEROL, SULFATE ION | | Authors: | Yang, C, Liang, H, Gan, J. | | Deposit date: | 2018-01-15 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.206 Å) | | Cite: | Molecular insights into the master regulator CysB-mediated bacterial virulence in Pseudomonas aeruginosa.
Mol.Microbiol., 111, 2019
|
|
5Z4Z
 | |
4KXF
 | |
7BPI
 | | The crystal structue of PDE10A complexed with 14 | | Descriptor: | 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Yang, Y, Zhang, S, Zhou, Q, Huang, Y.-Y, Guo, L, Luo, H.-B. | | Deposit date: | 2020-03-22 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4000864 Å) | | Cite: | Discovery of highly selective and orally available benzimidazole-based phosphodiesterase 10 inhibitors with improved solubility and pharmacokinetic properties for treatment of pulmonary arterial hypertension.
Acta Pharm Sin B, 10, 2020
|
|
5DDW
 | | Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with the PMP external aldimine adduct with Caerulomycin M | | Descriptor: | CrmG, GLYCEROL, [5-hydroxy-4-({(E)-[(4-hydroxy-2,2'-bipyridin-6-yl)methylidene]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate | | Authors: | Xu, J, Feng, Z, Liu, J. | | Deposit date: | 2015-08-25 | | Release date: | 2016-08-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis
Acs Chem.Biol., 11, 2016
|
|
5DDS
 | | Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with PLP | | Descriptor: | ACETIC ACID, CrmG, GLYCEROL, ... | | Authors: | Xu, J, Feng, Z, Liu, J. | | Deposit date: | 2015-08-25 | | Release date: | 2016-08-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis
Acs Chem.Biol., 11, 2016
|
|
5DDU
 | | Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with PMP | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, CrmG, GLYCEROL, ... | | Authors: | Xu, J, Feng, Z, Liu, J. | | Deposit date: | 2015-08-25 | | Release date: | 2016-08-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis
Acs Chem.Biol., 11, 2016
|
|
6KSQ
 | | Middle Domain of Human HSP90 Alpha | | Descriptor: | Heat shock protein HSP 90-alpha | | Authors: | Su, H.X, Zhou, C, Zhang, N.X, Xu, Y.C. | | Deposit date: | 2019-08-25 | | Release date: | 2020-02-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Allosteric Regulation of Hsp90 alpha's Activity by Small Molecules Targeting the Middle Domain of the Chaperone.
Iscience, 23, 2020
|
|
8JNK
 | |
8JNR
 | |
6N33
 | | Crystal structure of fms kinase domain with a small molecular inhibitor, PLX5622 | | Descriptor: | 6-fluoro-N-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor | | Authors: | Zhang, Y. | | Deposit date: | 2018-11-14 | | Release date: | 2019-09-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Sustained microglial depletion with CSF1R inhibitor impairs parenchymal plaque development in an Alzheimer's disease model.
Nat Commun, 10, 2019
|
|
6Z3Y
 | |
6Z3Z
 | |
6A7A
 | | AKR1C1 complexed with new inhibitor with novel scaffold | | Descriptor: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | | Deposit date: | 2018-07-02 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
|
|
6A7B
 | | AKR1C3 complexed with new inhibitor with novel scaffold | | Descriptor: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C3, DIMETHYLFORMAMIDE, ... | | Authors: | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | | Deposit date: | 2018-07-02 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
|
|
8Y6U
 | |
6LZZ
 | | Crystal structure of the PDE9 catalytic domain in complex with inhibitor 4a | | Descriptor: | 1-cyclopentyl-6-[[(2R)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Huang, Y.Y, Wu, Y, Luo, H.B. | | Deposit date: | 2020-02-19 | | Release date: | 2021-02-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.40003753 Å) | | Cite: | Identification of phosphodiesterase-9 as a novel target for pulmonary arterial hypertension by using highly selective and orally bioavailable inhibitors
To Be Published
|
|
6L69
 | | Crystal structure of CYP154C2 from Streptomyces avermitilis | | Descriptor: | Cytochrome P450 hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Xu, L.H, Fushinobu, S. | | Deposit date: | 2019-10-28 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Regio- and stereoselective hydroxylation of testosterone by a novel cytochrome P450 154C2 from Streptomyces avermitilis.
Biochem.Biophys.Res.Commun., 522, 2020
|
|
