8H03
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8H05
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8H04
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8WVD
| Crystal structure of Glycosyltransferase in complex with UD1 | Descriptor: | Glycosyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | Authors: | Li, J, Shan, N, Yang, J.G, Liu, W.D, Sun, Y.X. | Deposit date: | 2023-10-23 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Enzymatic Synthesis of Novel Terpenoid Glycoside Derivatives Decorated with N -Acetylglucosamine Catalyzed by UGT74AC1. J.Agric.Food Chem., 72, 2024
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8H06
| Cryo-EM structure of SARS-CoV-2 Omicron BA.4/5 RBD in complex with human ACE2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F. | Deposit date: | 2022-09-28 | Release date: | 2023-07-19 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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8H5C
| Structure of SARS-CoV-2 Omicron BA.2.75 RBD in complex with human ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Z.N, Bai, B, Liu, K.F, Qi, J.X, Gao, G.F. | Deposit date: | 2022-10-12 | Release date: | 2023-07-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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4BFO
| Crystal Structure of the Starch-Binding Domain from Rhizopus oryzae Glucoamylase in Complex with isomaltotriose | Descriptor: | GLUCOAMYLASE, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose | Authors: | Chu, C.H, Li, K.M, Lin, S.W, Sun, Y.J. | Deposit date: | 2013-03-21 | Release date: | 2013-10-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.175 Å) | Cite: | Crystal Structures of Starch Binding Domain from Rhizopus Oryzae Glucoamylase in Complex with Isomaltooligosaccharide: Insights Into Polysaccharide Binding Mechanism of Cbm21 Family. Proteins, 82, 2014
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4BFN
| Crystal Structure of the Starch-Binding Domain from Rhizopus oryzae Glucoamylase in Complex with isomaltotetraose | Descriptor: | GLUCOAMYLASE, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose | Authors: | Chu, C.H, Li, K.M, Lin, S.W, Sun, Y.J. | Deposit date: | 2013-03-21 | Release date: | 2013-10-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Crystal Structures of Starch Binding Domain from Rhizopus Oryzae Glucoamylase in Complex with Isomaltooligosaccharide: Insights Into Polysaccharide Binding Mechanism of Cbm21 Family. Proteins, 82, 2014
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8U1U
| Structure of a class A GPCR/agonist complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-C motif chemokine 1,C-C chemokine receptor type 8,EGFP fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Sun, D, Johnson, M, Masureel, M. | Deposit date: | 2023-09-02 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of antibody inhibition and chemokine activation of the human CC chemokine receptor 8. Nat Commun, 14, 2023
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8TLM
| Structure of a class A GPCR/Fab complex | Descriptor: | C-C chemokine receptor type 8, Green fluorescent protein fusion, Fab heavy chain, ... | Authors: | Sun, D, Johnson, M, Masureel, M. | Deposit date: | 2023-07-27 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis of antibody inhibition and chemokine activation of the human CC chemokine receptor 8. Nat Commun, 14, 2023
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1NNK
| X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with (S)-ATPA at 1.85 A resolution. Crystallization with zinc ions. | Descriptor: | 3-(5-TERT-BUTYL-3-OXIDOISOXAZOL-4-YL)-L-ALANINATE, CHLORIDE ION, Glutamate receptor 2, ... | Authors: | Lunn, M.-L, Hogner, A, Stensbol, T.B, Gouaux, E, Egebjerg, J, Kastrup, J.S. | Deposit date: | 2003-01-14 | Release date: | 2003-03-04 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Three-Dimensional Structure of the Ligand-Binding
Core of GluR2 in Complex with the Agonist (S)-ATPA:
Implications for Receptor Subunit Selectivity. J.Med.Chem., 46, 2003
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5BPE
| Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor | Descriptor: | (2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide, EV71 3Cpro | Authors: | Luqing, S, Yin, Z. | Deposit date: | 2015-05-28 | Release date: | 2015-11-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cyanohydrin as an Anchoring Group for Potent and Selective Inhibitors of Enterovirus 71 3C Protease J.Med.Chem., 58, 2015
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7QK4
| EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683) | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | Deposit date: | 2021-12-17 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
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7QJU
| EED in complex with PRC2 allosteric inhibitor compound 7 | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | Deposit date: | 2021-12-17 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
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7QJG
| EED in complex with PRC2 allosteric inhibitor compound 6 | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | Deposit date: | 2021-12-16 | Release date: | 2022-04-13 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
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1NNP
| X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with (S)-ATPA at 1.9 A resolution. Crystallization without zinc ions. | Descriptor: | 3-(5-TERT-BUTYL-3-OXIDOISOXAZOL-4-YL)-L-ALANINATE, Glutamate receptor 2, SULFATE ION | Authors: | Lunn, M.L, Hogner, A, Stensbol, T.B, Gouaux, E, Egebjerg, J, Kastrup, J.S. | Deposit date: | 2003-01-14 | Release date: | 2003-03-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Three-Dimensional Structure of the Ligand-Binding
Core of GluR2 in Complex with the Agonist (S)-ATPA:
Implications for Receptor Subunit Selectivity. J.Med.Chem., 46, 2003
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8CMY
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1GH2
| Crystal structure of the catalytic domain of a new human thioredoxin-like protein | Descriptor: | THIOREDOXIN-LIKE PROTEIN | Authors: | Jin, J, Chen, X, Guo, Q, Yuan, J, Qiang, B, Rao, Z. | Deposit date: | 2000-11-01 | Release date: | 2001-05-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal structure of the catalytic domain of a human thioredoxin-like protein. Eur.J.Biochem., 269, 2002
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8YQJ
| Crystal structure of HylD1 | Descriptor: | Lipase | Authors: | Wang, N, Li, C.Y. | Deposit date: | 2024-03-19 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Molecular insights into the catalytic mechanism of a phthalate ester hydrolase. J Hazard Mater, 476, 2024
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8YQP
| Crystal structure of HylD1 in complex with MEP | Descriptor: | 2-ethoxycarbonylbenzoic acid, Lipase | Authors: | Wang, N, Li, C.Y. | Deposit date: | 2024-03-19 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Molecular insights into the catalytic mechanism of a phthalate ester hydrolase. J Hazard Mater, 476, 2024
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8GRY
| Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with rat ACE2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ... | Authors: | Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F. | Deposit date: | 2022-09-03 | Release date: | 2023-07-19 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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3EFK
| Structure of c-Met with pyrimidone inhibitor 50 | Descriptor: | 5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor | Authors: | Bellon, S.F, D'Angelo, N, Whittington, D, Dussault, I. | Deposit date: | 2008-09-09 | Release date: | 2008-10-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design, synthesis, and biological evaluation of potent c-Met inhibitors. J.Med.Chem., 51, 2008
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3EFJ
| Structure of c-Met with pyrimidone inhibitor 7 | Descriptor: | 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor | Authors: | D'Angelo, N, Bellon, S, Whittington, D. | Deposit date: | 2008-09-09 | Release date: | 2008-10-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design, synthesis, and biological evaluation of potent c-Met inhibitors. J.Med.Chem., 51, 2008
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7VXG
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7R75
| Structure of human SHP2 in complex with compound 16 | Descriptor: | 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Leonard, P.G, Cross, J. | Deposit date: | 2021-06-24 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
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