5G0U
 
 | | InhA in complex with a DNA encoded library hit | | Descriptor: | 5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{N}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Read, J.A, Breed, J. | | Deposit date: | 2016-03-22 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
7CA8
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor Shikonin | | Descriptor: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase | | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J. | | Deposit date: | 2020-06-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of SARS-CoV-2 main protease in complex with the natural product inhibitor shikonin illuminates a unique binding mode.
Sci Bull (Beijing), 66, 2021
|
|
7XFR
 | |
5G0T
 | | InhA in complex with a DNA encoded library hit | | Descriptor: | 1-benzyl-N-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Read, J.A, Breed, J. | | Deposit date: | 2016-03-22 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
8JNS
 | | cryo-EM structure of a CED-4 hexamer | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell death protein 4, MAGNESIUM ION | | Authors: | Li, Y, Shi, Y. | | Deposit date: | 2023-06-06 | | Release date: | 2023-06-28 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural insights into CED-3 activation.
Life Sci Alliance, 6, 2023
|
|
8JO0
 | |
6BNR
 | | Carbonmonoxy hemoglobin in complex with the antisickling agent 5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde (INN310) | | Descriptor: | 2-[(4-methoxy-2-methylphenoxy)methyl]pyridine, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | Authors: | Pagare, P.P, Musayev, F.N, Safo, M.K. | | Deposit date: | 2017-11-17 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rational design of pyridyl derivatives of vanillin for the treatment of sickle cell disease.
Bioorg. Med. Chem., 26, 2018
|
|
7XOU
 | | Structural insights into human brain gut peptide cholecystokinin receptors | | Descriptor: | CCK-8, Cholecystokinin receptor type A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Ding, Y, Zhang, H, Liao, Y, Chen, L, Ji, S. | | Deposit date: | 2022-05-01 | | Release date: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into human brain-gut peptide cholecystokinin receptors.
Cell Discov, 8, 2022
|
|
7XOV
 | | Structural insights into human brain gut peptide cholecystokinin receptors | | Descriptor: | 2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]ethanoic acid, Cholecystokinin receptor type A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Ding, Y, Zhang, H, Liao, Y, Chen, L, Ji, S. | | Deposit date: | 2022-05-01 | | Release date: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural insights into human brain-gut peptide cholecystokinin receptors.
Cell Discov, 8, 2022
|
|
7XOW
 | | Structural insights into human brain gut peptide cholecystokinin receptors | | Descriptor: | Gastrin, Gastrin/cholecystokinin type B receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Ding, Y, Zhang, H, Liao, Y, Chen, L, Ji, S. | | Deposit date: | 2022-05-01 | | Release date: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into human brain-gut peptide cholecystokinin receptors.
Cell Discov, 8, 2022
|
|
7UD8
 | | Crystal structure of carbon monoxy Hemoglobin in complex with 5HMF at 1.8 Angstrom | | Descriptor: | (5-methylfuran-2-yl)methanol, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Donkor, A.K, Musayev, F.N, Safo, M.S. | | Deposit date: | 2022-03-18 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease.
Biomolecules, 12, 2022
|
|
7UD7
 | | Crystal structure of deoxygenated hemoglobin in complex with 5HMF-NO at 1.8 Angstrom | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Donkor, A.K, Musayev, F.N, Safo, M.K. | | Deposit date: | 2022-03-18 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease.
Biomolecules, 12, 2022
|
|
5G0V
 | | InhA in complex with a DNA encoded library hit | | Descriptor: | ENOYL-ACYL CARRIER PROTEIN REDUCTASE, MAGNESIUM ION, N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-pyrazol-1-ylphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)ethanamide, ... | | Authors: | Read, J.A, Breed, J. | | Deposit date: | 2016-03-22 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
7WE6
 | | Structure of Csy-AcrIF24-dsDNA | | Descriptor: | AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ... | | Authors: | Zhang, L, Feng, Y. | | Deposit date: | 2021-12-22 | | Release date: | 2022-04-20 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24.
Nat Commun, 13, 2022
|
|
5Y2G
 | | Structure of MBP tagged GBS CAMP | | Descriptor: | Maltose-binding periplasmic protein,Protein B, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Jin, T, Li, Y. | | Deposit date: | 2017-07-25 | | Release date: | 2019-02-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure determination of the CAMP factor of Streptococcus agalactiae with the aid of an MBP tag and insights into membrane-surface attachment.
Acta Crystallogr D Struct Biol, 75, 2019
|
|
8K0B
 | | Cryo-EM structure of TMEM63C | | Descriptor: | Calcium permeable stress-gated cation channel 1 | | Authors: | Qin, Y, Yu, D, Dong, J, Dang, S. | | Deposit date: | 2023-07-08 | | Release date: | 2023-12-06 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.56 Å) | | Cite: | Cryo-EM structure of TMEM63C suggests it functions as a monomer.
Nat Commun, 14, 2023
|
|
6C6Y
 | | Crystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque in complex with MERS Receptor Binding Domain | | Descriptor: | JC57-14 Heavy chain, JC57-14 Light chain, SULFATE ION, ... | | Authors: | Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D. | | Deposit date: | 2018-01-19 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.32 Å) | | Cite: | Importance of Neutralizing Monoclonal Antibodies Targeting Multiple Antigenic Sites on the Middle East Respiratory Syndrome Coronavirus Spike Glycoprotein To Avoid Neutralization Escape.
J. Virol., 92, 2018
|
|
7XSO
 | | Structure of the type III-E CRISPR-Cas effector gRAMP | | Descriptor: | RAMP superfamily protein, RNA (35-MER), ZINC ION | | Authors: | Feng, Y, Zhang, L. | | Deposit date: | 2022-05-15 | | Release date: | 2023-03-22 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Target RNA activates the protease activity of Craspase to confer antiviral defense.
Mol.Cell, 82, 2022
|
|
7V2Z
 | | ZIKV NS3helicase in complex with ssRNA and ATP-Mn2+ | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Core protein, MANGANESE (II) ION, ... | | Authors: | Lin, M.M, Yang, H.T. | | Deposit date: | 2021-08-10 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.10101676 Å) | | Cite: | Structural Basis of Zika Virus Helicase in RNA Unwinding and ATP Hydrolysis.
Acs Infect Dis., 8, 2022
|
|
7WH9
 | | holo structure of emodin 1-OH O-methyltransferase complex with emodin and S-Adenosyl-L-homocysteine | | Descriptor: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, O-methyltransferase gedA, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Liang, Y.J, Lu, X.F, Qi, F.F, Xue, Y.Y. | | Deposit date: | 2021-12-30 | | Release date: | 2023-01-11 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.803 Å) | | Cite: | Characterization and Structural Analysis of Emodin- O -Methyltransferase from Aspergillus terreus.
J.Agric.Food Chem., 70, 2022
|
|
7UJD
 | | PSMD2 Structure bound to MC1 and Fab8/14 | | Descriptor: | 26S proteasome non-ATPase regulatory subunit 2, ACY-PHE-PRO-ASP-VAL-SAR-LEU-HIS-ARG-TYR-TRP-GLY-TRP-ASP-CYS-GLY-NH2, Fab 14 HC CDRs, ... | | Authors: | Johnson, M.C, Bashore, C, Ciferri, C, Dueber, E.C. | | Deposit date: | 2022-03-30 | | Release date: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Targeted degradation via direct 26S proteasome recruitment.
Nat.Chem.Biol., 19, 2023
|
|
7UIH
 | | PSMD2 Structure | | Descriptor: | 26S proteasome non-ATPase regulatory subunit 2, Fab 14 HC CDRs, Fab 14 LC CDRs, ... | | Authors: | Johnson, M.C, Bashore, C, Ciferri, C, Dueber, E.C. | | Deposit date: | 2022-03-29 | | Release date: | 2023-01-11 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Targeted degradation via direct 26S proteasome recruitment.
Nat.Chem.Biol., 19, 2023
|
|
5YNT
 | | Crystal structure of an aromatic prenyltransferase FAMD1 from Fischerella ambigua UTEX 1903 | | Descriptor: | DIMETHYLALLYL DIPHOSPHATE, GLYCEROL, IMIDAZOLE, ... | | Authors: | Wang, J, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2017-10-25 | | Release date: | 2018-08-29 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural insight into a novel indole prenyltransferase in hapalindole-type alkaloid biosynthesis.
Biochem. Biophys. Res. Commun., 495, 2018
|
|
6C6X
 | | Crystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque. | | Descriptor: | JC57-14 Heavy chain, JC57-14 Light chain | | Authors: | Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D. | | Deposit date: | 2018-01-19 | | Release date: | 2018-02-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Importance of Neutralizing Monoclonal Antibodies Targeting Multiple Antigenic Sites on the Middle East Respiratory Syndrome Coronavirus Spike Glycoprotein To Avoid Neutralization Escape.
J. Virol., 92, 2018
|
|
5YNU
 | | Crystal structure of an aromatic prenyltransferase FAMD1 from Fischerella ambigua UTEX 1903 in complex with INN | | Descriptor: | 3-[(Z)-2-isocyanoethenyl]-1H-indole, DIMETHYLALLYL DIPHOSPHATE, GLYCEROL, ... | | Authors: | Wang, J, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2017-10-25 | | Release date: | 2018-08-29 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural insight into a novel indole prenyltransferase in hapalindole-type alkaloid biosynthesis.
Biochem. Biophys. Res. Commun., 495, 2018
|
|
