6B3E
 
 | | Crystal structure of human CDK12/CyclinK in complex with an inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol, Cyclin-K, ... | | Authors: | Ferguson, A.D. | | Deposit date: | 2017-09-21 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Structure-Based Design of Selective Noncovalent CDK12 Inhibitors.
ChemMedChem, 13, 2018
|
|
6C7R
 | | BRD4 BD1 in complex with compound CF53 | | Descriptor: | Bromodomain-containing protein 4, N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2018-01-23 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor.
J. Med. Chem., 61, 2018
|
|
3BU7
 | | Crystal Structure and Biochemical Characterization of GDOsp, a Gentisate 1,2-Dioxygenase from Silicibacter Pomeroyi | | Descriptor: | FE (II) ION, Gentisate 1,2-dioxygenase | | Authors: | Chen, J, Wang, M.Z, Zhu, G.Y, Zhang, X.C, Rao, Z.H. | | Deposit date: | 2008-01-02 | | Release date: | 2008-08-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure and mutagenic analysis of GDOsp, a gentisate 1,2-dioxygenase from Silicibacter pomeroyi.
Protein Sci., 17, 2008
|
|
6K2Z
 | | Human Galectin-14 with lactose | | Descriptor: | Placental protein 13-like, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Su, J. | | Deposit date: | 2019-05-15 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-function studies of galectin-14, an important effector molecule in embryology.
Febs J., 288, 2021
|
|
6K2Y
 | | Human Galectin-14 | | Descriptor: | Placental protein 13-like | | Authors: | Su, J. | | Deposit date: | 2019-05-15 | | Release date: | 2020-06-17 | | Last modified: | 2021-03-10 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structure-function studies of galectin-14, an important effector molecule in embryology.
Febs J., 288, 2021
|
|
6KO0
 | | The crystal structue of PDE10A complexed with 1i | | Descriptor: | 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B. | | Deposit date: | 2019-08-07 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.600029 Å) | | Cite: | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors.
Acs Chem Neurosci, 11, 2020
|
|
6IHB
 | | Adeno-Associated Virus 2 in complex with AAVR | | Descriptor: | Capsid protein VP1, Dyslexia-associated protein KIAA0319-like protein | | Authors: | Lou, Z.Y, Zhang, R. | | Deposit date: | 2018-09-29 | | Release date: | 2019-03-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Adeno-associated virus 2 bound to its cellular receptor AAVR.
Nat Microbiol, 4, 2019
|
|
6IH9
 | | Adeno-Associated Virus 2 at 2.8 ang | | Descriptor: | Capsid protein VP1 | | Authors: | Lou, Z.Y, Zhang, R. | | Deposit date: | 2018-09-29 | | Release date: | 2019-07-03 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Adeno-associated virus 2 bound to its cellular receptor AAVR.
Nat Microbiol, 4, 2019
|
|
1W66
 | |
4RLU
 | | Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium tuberculosis complexed with 2',4,4'-trihydroxychalcone | | Descriptor: | (3R)-hydroxyacyl-ACP dehydratase subunit HadA, (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 2',4,4'-TRIHYDROXYCHALCONE, ... | | Authors: | Li, J, Dong, Y, Rao, Z.H. | | Deposit date: | 2014-10-18 | | Release date: | 2015-10-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Molecular basis for the inhibition of beta-hydroxyacyl-ACP dehydratase HadAB complex from Mycobacterium tuberculosis by flavonoid inhibitors.
Protein Cell, 6, 2015
|
|
7VLM
 | | crystal structure of anti-CRISPR protein AcrIIA18 | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, H2C7, ... | | Authors: | Zhang, H, Wang, X.S, Li, X.Z. | | Deposit date: | 2021-10-04 | | Release date: | 2021-12-01 | | Last modified: | 2023-07-05 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Inhibition mechanisms of CRISPR-Cas9 by AcrIIA17 and AcrIIA18
Nucleic Acids Res., 50, 2022
|
|
4RLJ
 | | Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium tuberculosis | | Descriptor: | (3R)-hydroxyacyl-ACP dehydratase subunit HadA, (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ... | | Authors: | Li, J, Dong, Y, Rao, Z.H. | | Deposit date: | 2014-10-17 | | Release date: | 2015-10-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Molecular basis for the inhibition of beta-hydroxyacyl-ACP dehydratase HadAB complex from Mycobacterium tuberculosis by flavonoid inhibitors.
Protein Cell, 6, 2015
|
|
4RLT
 | | Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium tuberculosis complexed with Fisetin | | Descriptor: | (3R)-hydroxyacyl-ACP dehydratase subunit HadA, (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 3,7,3',4'-TETRAHYDROXYFLAVONE, ... | | Authors: | Li, J, Dong, Y, Rao, Z.H. | | Deposit date: | 2014-10-18 | | Release date: | 2015-10-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.049 Å) | | Cite: | Molecular basis for the inhibition of beta-hydroxyacyl-ACP dehydratase HadAB complex from Mycobacterium tuberculosis by flavonoid inhibitors.
Protein Cell, 6, 2015
|
|
4RLW
 | | Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium tuberculosis complexed with Butein | | Descriptor: | (2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one, (3R)-hydroxyacyl-ACP dehydratase subunit HadA, (3R)-hydroxyacyl-ACP dehydratase subunit HadB, ... | | Authors: | Li, J, Dong, Y, Rao, Z.H. | | Deposit date: | 2014-10-18 | | Release date: | 2015-10-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.196 Å) | | Cite: | Molecular basis for the inhibition of beta-hydroxyacyl-ACP dehydratase HadAB complex from Mycobacterium tuberculosis by flavonoid inhibitors.
Protein Cell, 6, 2015
|
|
6VII
 | |
3J8H
 | | Structure of the rabbit ryanodine receptor RyR1 in complex with FKBP12 at 3.8 Angstrom resolution | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1A, Ryanodine receptor 1, ZINC ION | | Authors: | Yan, Z, Bai, X, Yan, C, Wu, J, Scheres, S.H.W, Shi, Y, Yan, N. | | Deposit date: | 2014-10-26 | | Release date: | 2014-12-10 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of the rabbit ryanodine receptor RyR1 at near-atomic resolution.
Nature, 517, 2015
|
|
6VIK
 | |
6VIH
 | | The ligand-free structure of mouse RABL3 | | Descriptor: | Rab-like protein 3 | | Authors: | Su, L, Tomchick, D.R, Beutler, B. | | Deposit date: | 2020-01-13 | | Release date: | 2020-04-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.993 Å) | | Cite: | Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
5XRR
 | | Crystal structure of FUS (54-59) SYSSYG | | Descriptor: | RNA-binding protein FUS, ZINC ION | | Authors: | Zhao, M, Gui, X, Li, D, Liu, C. | | Deposit date: | 2017-06-09 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.503 Å) | | Cite: | Atomic structures of FUS LC domain segments reveal bases for reversible amyloid fibril formation.
Nat. Struct. Mol. Biol., 25, 2018
|
|
6VIJ
 | | Crystal structure of mouse RABL3 in complex with GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rab-like protein 3 | | Authors: | Su, L, Tomchick, D.R, Beutler, B. | | Deposit date: | 2020-01-13 | | Release date: | 2020-04-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
4O1V
 | | SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer | | Descriptor: | Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, Speckle-type POZ protein | | Authors: | Calabrese, M.F, Watson, E.R, Schulman, B.A. | | Deposit date: | 2013-12-16 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer.
Cancer Cell, 25, 2014
|
|
5VEB
 | | Crystal structure of a Fab binding to extracellular domain 5 of Cadherin-6 | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Cadherin-6, anti-CDH6 Fab heavy chain, ... | | Authors: | Zhu, X, Bialucha, C.U, London, A, Clark, K, Hu, T. | | Deposit date: | 2017-04-04 | | Release date: | 2017-06-07 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Discovery and Optimization of HKT288, a Cadherin-6-Targeting ADC for the Treatment of Ovarian and Renal Cancers.
Cancer Discov, 7, 2017
|
|
3E3R
 | |
7OJY
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 6 | | Descriptor: | 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
|
|
7OKB
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 45 | | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, SULFATE ION, ... | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.58 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
|
|
