7F7G
 
 | | a linear Peptide Inhibitors in complex with GK domain | | Descriptor: | DLG4 GK domain, UNK-ARG-ILE-ARG-ARG-ASP-GLU-TYR-LEU-LYS-ALA-ILE-GLN-UNK | | Authors: | Shang, Y, Huang, X, Li, X, Zhang, M. | | Deposit date: | 2021-06-29 | | Release date: | 2022-02-23 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.446 Å) | | Cite: | Entropy of stapled peptide inhibitors in free state is the major contributor to the improvement of binding affinity with the GK domain.
Rsc Chem Biol, 2, 2021
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7F1D
 | | Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | | Descriptor: | Beta-secretase 1, IODIDE ION, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | | Authors: | Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2021-06-09 | | Release date: | 2022-02-23 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
J.Med.Chem., 64, 2021
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7Z1O
 | | Structure of yeast RNA Polymerase III PTC + NTPs | | Descriptor: | CHAPSO, DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ... | | Authors: | Girbig, M, Mueller, C.W. | | Deposit date: | 2022-02-24 | | Release date: | 2022-08-31 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Architecture of the yeast Pol III pre-termination complex and pausing mechanism on poly(dT) termination signals.
Cell Rep, 40, 2022
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7Z1N
 | | Structure of yeast RNA Polymerase III Delta C53-C37-C11 | | Descriptor: | CHAPSO, DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC2, ... | | Authors: | Girbig, M, Mueller, C.W. | | Deposit date: | 2022-02-24 | | Release date: | 2022-08-31 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Architecture of the yeast Pol III pre-termination complex and pausing mechanism on poly(dT) termination signals.
Cell Rep, 40, 2022
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7F1G
 | | BACE2 xaperone complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | | Descriptor: | Beta-secretase 2, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide, XAPERONE | | Authors: | Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2021-06-09 | | Release date: | 2022-02-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
J.Med.Chem., 64, 2021
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7FIY
 | | Cryo-EM structure of the tirzepatide-bound human GIPR-Gs complex | | Descriptor: | CHOLESTEROL, Gastric inhibitory polypeptide receptor,Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | | Deposit date: | 2021-08-01 | | Release date: | 2022-03-02 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
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7ZC2
 | | Dipeptide and tripeptide Permease C (DtpC) | | Descriptor: | Amino acid/peptide transporter | | Authors: | Killer, M, Finocchio, G, Pardon, E, Steyaert, J, Loew, C. | | Deposit date: | 2022-03-25 | | Release date: | 2022-07-06 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | Cryo-EM Structure of an Atypical Proton-Coupled Peptide Transporter: Di- and Tripeptide Permease C.
Front Mol Biosci, 9, 2022
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3CKA
 | | The crystal structure of OspA mutant | | Descriptor: | Outer surface protein A, PENTAETHYLENE GLYCOL | | Authors: | Makabe, K, Biancalana, M, Terechko, V, Koide, S. | | Deposit date: | 2008-03-14 | | Release date: | 2009-03-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Minimalist design of water-soluble cross-{beta} architecture.
Proc.Natl.Acad.Sci.USA, 107, 2010
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7FIM
 | | Cryo-EM structure of the tirzepatide (LY3298176)-bound human GLP-1R-Gs complex | | Descriptor: | Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,human glucagon like peptide 1 receptor, 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, ... | | Authors: | Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | | Deposit date: | 2021-07-31 | | Release date: | 2022-03-02 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
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7Z1M
 | | Structure of yeast RNA Polymerase III Elongation Complex (EC) | | Descriptor: | (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol, DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ... | | Authors: | Girbig, M, Mueller, C.W. | | Deposit date: | 2022-02-24 | | Release date: | 2022-08-31 | | Last modified: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Architecture of the yeast Pol III pre-termination complex and pausing mechanism on poly(dT) termination signals.
Cell Rep, 40, 2022
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7Z9L
 | | Phen-DC3 intercalation causes hybrid-to-antiparallel transformation of human telomeric DNA G-quadruplex | | Descriptor: | DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), N2,N9-bis(1-methylquinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide | | Authors: | Ghosh, A, Trajkovski, M, Teulade-Fichou, M.P, Gabelica, V, Plavec, J. | | Deposit date: | 2022-03-21 | | Release date: | 2022-08-31 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Phen-DC 3 Induces Refolding of Human Telomeric DNA into a Chair-Type Antiparallel G-Quadruplex through Ligand Intercalation.
Angew.Chem.Int.Ed.Engl., 61, 2022
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3CLY
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7Z1U
 | | Biochemical implications of the substitution of a unique cysteine residue in sugar beet phytoglobin BvPgb 1.2 | | Descriptor: | Non-symbiotic hemoglobin class 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Nyblom, M, Christensen, S, Leiva Eriksson, N, Bulow, L. | | Deposit date: | 2022-02-25 | | Release date: | 2022-09-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Oxidative Implications of Substituting a Conserved Cysteine Residue in Sugar Beet Phytoglobin BvPgb 1.2.
Antioxidants, 11, 2022
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7F3A
 | | Arabidopsis thaliana GH1 beta-glucosidase AtBGlu42 | | Descriptor: | Beta-glucosidase 42, GLYCEROL | | Authors: | Horikoshi, S, Saburi, W, Yu, J, Yao, M. | | Deposit date: | 2021-06-16 | | Release date: | 2022-03-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Substrate specificity of glycoside hydrolase family 1 beta-glucosidase AtBGlu42 from Arabidopsis thaliana and its molecular mechanism.
Biosci.Biotechnol.Biochem., 86, 2022
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3CLW
 | | Crystal structure of conserved exported protein from Bacteroides fragilis | | Descriptor: | Conserved exported protein | | Authors: | Bonanno, J.B, Rutter, M, Bain, K.T, Chang, S, Ozyurt, K, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-03-20 | | Release date: | 2008-04-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Crystal structure of conserved exported protein from Bacteroides fragilis.
To be Published
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7FHS
 | | Crystal structure of DYRK1A in complex with RD0392 | | Descriptor: | (5~{Z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, GLYCEROL | | Authors: | Kikuchi, M, Sumida, T, Hosoya, T, Kii, I, Umehara, T. | | Deposit date: | 2021-07-30 | | Release date: | 2022-03-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structure-activity relationship for the folding intermediate-selective inhibition of DYRK1A.
Eur.J.Med.Chem., 227, 2022
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3COM
 | | Crystal structure of Mst1 kinase | | Descriptor: | Serine/threonine-protein kinase 4 | | Authors: | Atwell, S, Burley, S.K, Dickey, M, Leon, B, Sauder, J.M, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-03-28 | | Release date: | 2008-04-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of Mst1 kinase.
To be Published
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7FHT
 | | Crystal structure of DYRK1A in complex with RD0448 | | Descriptor: | (5~{Z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | Kikuchi, M, Sumida, Y, Hosoya, T, Kii, I, Umehara, T. | | Deposit date: | 2021-07-30 | | Release date: | 2022-03-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structure-activity relationship for the folding intermediate-selective inhibition of DYRK1A.
Eur.J.Med.Chem., 227, 2022
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3CQA
 | | Crystal structure of human fibroblast growth factor-1 with mutations Glu81Ala and Lys101Ala | | Descriptor: | FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION | | Authors: | Meher, A.K, Honjo, E, Kuroki, R, Lee, J, Somasundaram, T, Blaber, M. | | Deposit date: | 2008-04-02 | | Release date: | 2009-04-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering an improved crystal contact across a solvent-mediated interface of human fibroblast growth factor 1.
Acta Crystallogr.,Sect.F, 65, 2009
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3CTV
 | | Crystal structure of central domain of 3-hydroxyacyl-CoA dehydrogenase from Archaeoglobus fulgidus | | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, SULFATE ION | | Authors: | Osipiuk, J, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-04-14 | | Release date: | 2008-04-29 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | X-ray crystal structure of central domain of 3-hydroxyacyl-CoA dehydrogenase from Archaeoglobus fulgidus.
To be Published
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3CU0
 | | human beta 1,3-glucuronyltransferase I (GlcAT-I) in complex with UDP and GAL-GAL(6-SO4)-XYL(2-PO4)-O-SER | | Descriptor: | Galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase 3, MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Tone, Y, Pedersen, L.C, Yamamoto, T, Kitagawa, H, Nishihara-Shimizu, J, Tamura, J, Negishi, M, Sugahara, K. | | Deposit date: | 2008-04-15 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 2-o-phosphorylation of xylose and 6-o-sulfation of galactose in the protein linkage region of glycosaminoglycans influence the glucuronyltransferase-I activity involved in the linkage region synthesis.
J.Biol.Chem., 283, 2008
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3CV3
 | | Crystal Structure of GumK mutant D157A in complex with UDP | | Descriptor: | Glucuronosyltransferase GumK, URIDINE-5'-DIPHOSPHATE | | Authors: | Barreras, M. | | Deposit date: | 2008-04-17 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure and mechanism of GumK, a membrane-associated glucuronosyltransferase.
J.Biol.Chem., 283, 2008
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7F7I
 | | Stapled Peptide Inhibitor in complex with PSD95 GK domain | | Descriptor: | ACE-ARG-ILE-ARG-ARG-ASP-GLU-TYR-LEU-LYZ-ALA-ILE-GLN-NH2, Disks large homolog 4 | | Authors: | Shang, Y, Huang, X, Li, X, Zhang, M. | | Deposit date: | 2021-06-29 | | Release date: | 2022-04-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.595 Å) | | Cite: | Entropy of stapled peptide inhibitors in free state is the major contributor to the improvement of binding affinity with the GK domain.
Rsc Chem Biol, 2, 2021
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7EZJ
 | | Crystal structure of p73 DNA binding domain complex bound with 1 bp and 2 bp spacer DNA response elements. | | Descriptor: | 12-mer DNA, Tumor protein p73, ZINC ION | | Authors: | Koley, T, Roy Chowdhury, S, Kumar, M, Kaur, P, Singh, T.P, Viadiu, H, Ethayathulla, A.S. | | Deposit date: | 2021-06-01 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Deciphering the mechanism of p73 recognition of p53 response elements using the crystal structure of p73-DNA complexes and computational studies.
Int.J.Biol.Macromol., 206, 2022
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7EZC
 | | Adenosine A2a receptor mutant-I92N | | Descriptor: | 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, Adenosine receptor A2a,Soluble cytochrome b562 | | Authors: | Cui, M, Zhou, Q, Yao, D, Zhao, S, Song, G. | | Deposit date: | 2021-06-01 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Crystal structure of a constitutive active mutant of adenosine A 2A receptor.
Iucrj, 9, 2022
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