8CVY
 
 | |
8IF7
 | | Crystal structure of CmnB | | Descriptor: | 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CmnB | | Authors: | Chang, C.Y, Toh, S.I, Lo, C.L. | | Deposit date: | 2023-02-17 | | Release date: | 2023-07-26 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of CmnB involved in the biosynthesis of the nonproteinogenic amino acid L-2,3-diaminopropionic acid.
Acta Crystallogr.,Sect.F, 79, 2023
|
|
7SN6
 | | U2AF65 UHM BOUND TO SF3B155 ULM5 | | Descriptor: | ISOPROPYL ALCOHOL, Splicing factor 3B subunit 1, Splicing factor U2AF 65 kDa subunit | | Authors: | Loerch, S, Jenkins, J.L, Kielkopf, C.L. | | Deposit date: | 2021-10-27 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A UHM-ULM interface with unusual structural features contributes to U2AF2 and SF3B1 association for pre-mRNA splicing.
J.Biol.Chem., 298, 2022
|
|
3PNP
 | |
7ZVL
 | | HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ahmad, M.U, Koelmel, W, Arkhipova, V, Lawson, J.D, Smith, C.R, Gunn, R.J. | | Deposit date: | 2022-05-16 | | Release date: | 2022-10-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
|
|
7ZP5
 | |
7FWM
 | | Crystal Structure of human FABP4 binding site mutated to that of FABP3 in complex with 1-[(4-chloro-2-phenylphenyl)methyl]-4-hydroxypyridin-2-one, i.e. SMILES C1(=CC(=O)N(C=C1)Cc1ccc(cc1c1ccccc1)Cl)O with IC50=2.3 microM | | Descriptor: | 1-[(5-chloro[1,1'-biphenyl]-2-yl)methyl]-4-hydroxy-5,6-dihydropyridin-2(1H)-one, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Crystal Structure of a human FABP4 binding site mutated to that of FABP3 complex
To be published
|
|
7ZUU
 | | HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, Methylosome protein 50, ... | | Authors: | Ahmad, M.U, Koelmel, W, Arkhipova, V, Lawson, J.D, Smith, C.R, Gunn, R.J. | | Deposit date: | 2022-05-13 | | Release date: | 2022-10-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
|
|
7ZUP
 | | Human PRMT5:MEP50 structure with Fragment (Example 18) and MTA Bound | | Descriptor: | 3-ethylimidazo[4,5-b]pyridin-2-amine, 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, ... | | Authors: | Ahmad, M.U, Koelmel, W, Arkhipova, V, Lawson, J.D, Smith, C.R, Gunn, R.J. | | Deposit date: | 2022-05-12 | | Release date: | 2022-10-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
|
|
7FX7
 | | Crystal Structure of human FABP4 with binding site mutated to FABP5 in complex with 5-methylsulfanyl-2-[(4-phenylmethoxy-1H-indazol-3-yl)methylsulfanyl]pyrimidin-4-ol, i.e. SMILES n1c(c(cnc1SCC1=NNc2c1c(OCc1ccccc1)ccc2)SC)O with IC50=0.372 microM | | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(benzyloxy)-1H-indazol-3-yl]methyl}sulfanyl)-5-(methylsulfanyl)pyrimidin-4-ol, DIMETHYL SULFOXIDE, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Lubbers, T, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
|
|
5N1D
 | |
2O8R
 | | Crystal Structure of Polyphosphate Kinase from Porphyromonas Gingivalis | | Descriptor: | Polyphosphate kinase, SULFATE ION | | Authors: | Patskovsky, Y, Toro, R, Sauder, J.M, Dickey, M, Adams, J.M, Ozyurt, S, Wasserman, S.R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-12-12 | | Release date: | 2006-12-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of Polyphosphate Kinase from Porphyromonas Gingivalis
To be Published
|
|
1U9G
 | | Heterocyclic Peptide Backbone Modification in GCN4-pLI Based Coiled Coils: Replacement of K(8)L(9) | | Descriptor: | General control protein GCN4, SULFATE ION | | Authors: | Horne, W.S, Yadav, M.K, Stout, C.D, Ghadiri, M.R. | | Deposit date: | 2004-08-09 | | Release date: | 2004-11-30 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Heterocyclic peptide backbone modifications in an alpha-helical coiled coil.
J.Am.Chem.Soc., 126, 2004
|
|
9HIJ
 | | X-ray structure of Perm1, a circularly permuted mutant of the sweet protein MNEI | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, HEXAETHYLENE GLYCOL, ... | | Authors: | Bologna, A, Wang, P.-H, Gramazio, S, Essen, L.-O, Spadaccini, R. | | Deposit date: | 2024-11-26 | | Release date: | 2025-04-02 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Unravelling the amyloid aggregation mechanism of the sweet protein Monellin: Insights from circular permutated mutants.
Int.J.Biol.Macromol., 308, 2025
|
|
5N24
 | | Crystal structure of human carbonic anhydrase II in complex with the inhibitor b4'-Cyano-biphenyl-4-sulfonic acid amide | | Descriptor: | 4-(4-cyanophenyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Ferraroni, M, Supuran, C.T, Scozzafava, A, Carta, F. | | Deposit date: | 2017-02-07 | | Release date: | 2017-12-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Sulfonamide carbonic anhydrase inhibitors: Zinc coordination and tail effects influence inhibitory efficacy and selectivity for different isoforms
Inorg.Chim.Acta., 470, 2018
|
|
7SGX
 | | Crystal Structure of Turtle Cadherin-23 EC1-2 | | Descriptor: | CALCIUM ION, CHLORIDE ION, Cadherin 23, ... | | Authors: | Nisler, C.R, Sotomayor, M. | | Deposit date: | 2021-10-07 | | Release date: | 2022-10-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Interpreting the Evolutionary Echoes of a Protein Complex Essential for Inner-Ear Mechanosensation.
Mol.Biol.Evol., 40, 2023
|
|
8CVX
 | | Human glycogenin-1 and glycogen synthase-1 complex in the presence of glucose-6-phosphate | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase, muscle, ... | | Authors: | Liu, Y, Fastman, N.M, Tzitzilonis, C. | | Deposit date: | 2022-05-18 | | Release date: | 2022-07-13 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The structural mechanism of human glycogen synthesis by the GYS1-GYG1 complex.
Cell Rep, 40, 2022
|
|
6Y3W
 | | Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 1 | | Descriptor: | 14-3-3 protein sigma, 3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ... | | Authors: | Somsen, B.A, Ottmann, C. | | Deposit date: | 2020-02-19 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
|
|
7ZUQ
 | | HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, Methylosome protein 50, ... | | Authors: | Ahmad, M.U, Koelmel, W, Arkhipova, V, Lawson, J.D, Smith, C.R, Gunn, R.J. | | Deposit date: | 2022-05-13 | | Release date: | 2022-10-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
|
|
3PE5
 | | Three-dimensional Structure of protein A7VV38_9CLOT from Clostridium leptum DSM 753, Northeast Structural Genomics Consortium Target QlR103 | | Descriptor: | Uncharacterized protein | | Authors: | Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-10-25 | | Release date: | 2010-11-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.381 Å) | | Cite: | Northeast Structural Genomics Consortium Target QlR103
To be published
|
|
4AW7
 | | BpGH86A: A beta-porphyranase of glycoside hydrolase family 86 from the human gut bacterium Bacteroides plebeius | | Descriptor: | 1,2-ETHANEDIOL, 6-O-sulfo-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-6-O-sulfo-alpha-L-galactopyranose-(1-3)-alpha-D-galactopyranose, CALCIUM ION, ... | | Authors: | Hehemann, J.H, Kelly, A.G, Pudlo, N.A, Martens, E.C, Boraston, A.B. | | Deposit date: | 2012-06-01 | | Release date: | 2012-07-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Bacteria of the human gut microbiome catabolize red seaweed glycans with carbohydrate-active enzyme updates from extrinsic microbes.
Proc. Natl. Acad. Sci. U.S.A., 109, 2012
|
|
6VZI
 | |
4Y2C
 | | M300V 3D polymerase mutant of EMCV | | Descriptor: | GLYCEROL, Genome polyprotein | | Authors: | Verdaguer, N, Ferrer-Orta, C, Vives-Adrian, L. | | Deposit date: | 2015-02-09 | | Release date: | 2015-04-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
|
|
7ASG
 | | TGFBIp mutant R555W | | Descriptor: | Transforming growth factor-beta-induced protein ig-h3 | | Authors: | Nielsen, N.S, Gadeberg, T.A.F, Andersen, G.R. | | Deposit date: | 2020-10-27 | | Release date: | 2020-12-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mutation-induced dimerization of transforming growth factor-beta-induced protein may drive protein aggregation in granular corneal dystrophy.
J.Biol.Chem., 297, 2021
|
|
6DUE
 | | Toxoplasma gondii MyoA, a Class-XIV myosin, in the pre-powerstroke state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Powell, C.J, Boulanger, M.J. | | Deposit date: | 2018-06-20 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and mechanistic insights into the function of the unconventional class XIV myosin MyoA fromToxoplasma gondii.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
