5GNF
 
 | Crystal structure of anti-CRISPR protein AcrF3 | Descriptor: | CALCIUM ION, Uncharacterized protein AcrF3 | Authors: | Wang, J, Wang, Y. | Deposit date: | 2016-07-20 | Release date: | 2016-09-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A CRISPR evolutionary arms race: structural insights into viral anti-CRISPR/Cas responses Cell Res., 26, 2016
|
|
5IMX
 
 | |
9B97
 
 | Crystal structure of the human PAD2 protein bound to small molecule | Descriptor: | (1P)-N~3'~-[(2S)-3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-N~3~,N~3~-diethyl-4-fluoro-5'-{[4-(4-phenylbutyl)piperazin-1-yl]methyl}[1,1'-biphenyl]-3,3'-dicarboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Byrnes, L.J, Vajdos, F. | Deposit date: | 2024-04-01 | Release date: | 2024-10-09 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery, Characterization, and Structure of a Cell Active PAD2 Inhibitor Acting through a Novel Allosteric Mechanism. Acs Chem.Biol., 19, 2024
|
|
9B96
 
 | Crystal structure of the human PAD2 protein bound to inhibitor | Descriptor: | 1-({(2P)-1-{(1R)-1-(2-bromophenyl)-3-[5-(methanesulfonamido)-2-methylanilino]-3-oxopropyl}-2-[3-(4-chlorophenoxy)phenyl]-1H-1,3-benzimidazol-6-yl}methyl)-N-methyl-D-prolinamide, ACETATE ION, CALCIUM ION, ... | Authors: | Byrnes, L.J, Vajdos, F. | Deposit date: | 2024-04-01 | Release date: | 2024-10-09 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Discovery, Characterization, and Structure of a Cell Active PAD2 Inhibitor Acting through a Novel Allosteric Mechanism. Acs Chem.Biol., 19, 2024
|
|
9B98
 
 | Crystal structure of the human PAD2 protein bound to small molecule | Descriptor: | (5P)-N,N-diethyl-2-fluoro-5-(2-[({1-[2-(methylamino)-2-oxoethyl]cyclohexyl}methyl)amino]-6-{methyl[1-(2-methyl-1-phenyl-1H-1,3-benzimidazole-5-carbonyl)piperidin-4-yl]amino}pyrimidin-4-yl)benzamide, ACETATE ION, CALCIUM ION, ... | Authors: | Byrnes, L.J, Vajdos, F. | Deposit date: | 2024-04-01 | Release date: | 2024-10-09 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Discovery, Characterization, and Structure of a Cell Active PAD2 Inhibitor Acting through a Novel Allosteric Mechanism. Acs Chem.Biol., 19, 2024
|
|
9INR
 
 | Crystal structure of PIN1 in complex with inhibitor C3 | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ... | Authors: | Zhang, L.J, Zhang, L.Y. | Deposit date: | 2024-07-08 | Release date: | 2024-09-25 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Re-Evaluating PIN1 as a Therapeutic Target in Oncology Using Neutral Inhibitors and PROTACs. J.Med.Chem., 67, 2024
|
|
4ZO5
 
 | PDE10 complexed with 4-isopropoxy-2-(2-(3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)isoindoline-1,3-dione | Descriptor: | 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione, 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, MAGNESIUM ION, ... | Authors: | Yan, Y. | Deposit date: | 2015-05-06 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of [(11)C]MK-8193 as a PET tracer to measure target engagement of phosphodiesterase 10A (PDE10A) inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
|
|
9IYB
 
 | Cryo-EM Structure of the Prostaglandin D2 Receptor 2-PGD2 Coupled to G Protein | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Xu, J, Xu, Y, Wu, C, Xu, H.E. | Deposit date: | 2024-07-30 | Release date: | 2024-12-04 | Last modified: | 2025-02-26 | Method: | ELECTRON MICROSCOPY (2.82 Å) | Cite: | Molecular basis of lipid and ligand regulation of prostaglandin receptor DP2. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
3J3Y
 
 | |
3J3Q
 
 | |
5YGI
 
 | |
6KYF
 
 | Crystal structure of an anti-CRISPR protein | Descriptor: | AcrF11, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Niu, Y, Wang, H, Zhang, Y, Feng, Y. | Deposit date: | 2019-09-18 | Release date: | 2020-09-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | A Type I-F Anti-CRISPR Protein Inhibits the CRISPR-Cas Surveillance Complex by ADP-Ribosylation. Mol.Cell, 80, 2020
|
|
3F62
 
 | |
5EOR
 
 | |
5EOQ
 
 | |
9JQG
 
 | Crystal structure of rice DWARF14 in complex with Cyclo(L-Leu-L-Pro) | Descriptor: | (3~{S},8~{a}~{S})-3-(2-methylpropyl)-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,3-PROPANDIOL, 1,4-BUTANEDIOL, ... | Authors: | Wang, Q.X, Feng, Q.X, Wang, B, Bai, Y. | Deposit date: | 2024-09-27 | Release date: | 2025-05-21 | Last modified: | 2025-06-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Root microbiota regulates tiller number in rice. Cell, 188, 2025
|
|
6U8Y
 
 | |
7LYI
 
 | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3 | Descriptor: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | Authors: | Sacco, M, Wang, J, Chen, Y. | Deposit date: | 2021-03-07 | Release date: | 2021-03-17 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir. Acs Pharmacol Transl Sci, 4, 2021
|
|
7LYH
 
 | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-1 | Descriptor: | 3C-like proteinase, GLYCEROL, benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate | Authors: | Sacco, M, Wang, J, Chen, Y. | Deposit date: | 2021-03-07 | Release date: | 2021-03-17 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir. Acs Pharmacol Transl Sci, 4, 2021
|
|
6CB6
 
 | |
6BR8
 
 | Structure of A6 reveals a novel lipid transporter | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Protein A6 homolog, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | Authors: | Deng, J, Peng, S, Pathak, P. | Deposit date: | 2017-11-30 | Release date: | 2018-06-20 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6DJV
 
 | Mtb ClpB in complex with ATPgammaS and casein, Conformer 2 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Yu, H.J, Li, H.L. | Deposit date: | 2018-05-26 | Release date: | 2018-09-26 | Last modified: | 2025-05-28 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | ATP hydrolysis-coupled peptide translocation mechanism ofMycobacterium tuberculosisClpB. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6BR9
 
 | Structure of A6 reveals a novel lipid transporter | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Protein A6 homolog, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | Authors: | Deng, J, Peng, S, Pathak, P. | Deposit date: | 2017-11-30 | Release date: | 2018-06-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6CB7
 
 | |
6DJU
 
 | Mtb ClpB in complex with ATPgammaS and casein, Conformer 1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Yu, H.J, Li, H.L. | Deposit date: | 2018-05-26 | Release date: | 2018-09-26 | Last modified: | 2025-05-28 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | ATP hydrolysis-coupled peptide translocation mechanism ofMycobacterium tuberculosisClpB. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|