7DTV
 
 | | Human Calcium-Sensing Receptor bound with L-Trp and calcium ions | | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | | Deposit date: | 2021-01-06 | | Release date: | 2021-03-10 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
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7DTW
 | | Human Calcium-Sensing Receptor in the inactive close-close conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor | | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | | Deposit date: | 2021-01-06 | | Release date: | 2021-03-10 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
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7DTU
 | | Human Calcium-Sensing Receptor bound with L-Trp | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor, ... | | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | | Deposit date: | 2021-01-06 | | Release date: | 2021-03-10 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
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6XFN
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243 | | Descriptor: | 3C-like proteinase, GLYCEROL, UAW243 | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-06-15 | | Release date: | 2020-06-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
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6XBI
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-06-06 | | Release date: | 2020-06-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
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6XBH
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247 | | Descriptor: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-06-06 | | Release date: | 2020-06-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
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6XBG
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW246 | | Descriptor: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-06-05 | | Release date: | 2020-06-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
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6WF3
 | | Crystal structure of human Naa50 in complex with a cofactor derived inhibitor (compound 1) | | Descriptor: | ACE-MET-LEU-GLY-PRO-NH2, COENZYME A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.291 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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6WFO
 | | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4b) identified using DNA encoded library technology | | Descriptor: | (4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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4WUM
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6WFK
 | | Crystal structure of human Naa50 in complex with CoA and an inhibitor (compound 4a) identified using DNA encoded library technology | | Descriptor: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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6XA4
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW241 | | Descriptor: | 3C-like proteinase, GLYCEROL, inhibitor UAW241 | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-06-03 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
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6WFN
 | | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4a) identified using DNA encoded library technology | | Descriptor: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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6NCU
 | | Interleukin-37 residues 53-206- dimer | | Descriptor: | Interleukin-37 | | Authors: | Eisenmesser, E.Z. | | Deposit date: | 2018-12-12 | | Release date: | 2019-03-13 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Interleukin-37 monomer is the active form for reducing innate immunity.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5GQH
 | | Cryo-EM structure of PaeCas3-AcrF3 complex | | Descriptor: | CRISPR-associated nuclease/helicase Cas3 subtype I-F/YPEST, anti-CRISPR protein 3 | | Authors: | Zhang, X, Ma, J, Wang, Y, Wang, J. | | Deposit date: | 2016-08-07 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | A CRISPR evolutionary arms race: structural insights into viral anti-CRISPR/Cas responses
Cell Res., 26, 2016
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8HU4
 | | Limosilactobacillus reuteri N1 GtfB | | Descriptor: | CITRIC ACID, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | | Authors: | Dong, J.J, Bai, Y.X. | | Deposit date: | 2022-12-22 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme.
J.Agric.Food Chem., 72, 2024
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8HWK
 | | Limosilactobacillus reuteri N1 GtfB-maltohexaose | | Descriptor: | CITRIC ACID, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | | Authors: | Dong, J.J, Bai, Y.X. | | Deposit date: | 2022-12-30 | | Release date: | 2024-01-03 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme.
J.Agric.Food Chem., 72, 2024
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8HW3
 | | Limosilactobacillus reuteri N1 GtfB-acarbose | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, GLYCEROL, SODIUM ION, ... | | Authors: | Dong, J.J, Bai, Y.X. | | Deposit date: | 2022-12-28 | | Release date: | 2024-01-03 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Insights into the Structure-Function Relationship of GH70 GtfB alpha-Glucanotransferases from the Crystal Structure and Molecular Dynamic Simulation of a Newly Characterized Limosilactobacillus reuteri N1 GtfB Enzyme.
J.Agric.Food Chem., 72, 2024
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9II5
 | | Crystal structure of human TRIM21 PRYSPRY in complex with compound 1 | | Descriptor: | E3 ubiquitin-protein ligase TRIM21, ~{N}-[(1-fluoranylcyclohexyl)methyl]-~{N}-methyl-4-(2-methylsulfanylphenyl)-2-methylsulfonyl-benzamide | | Authors: | Zhang, L.Y. | | Deposit date: | 2024-06-19 | | Release date: | 2025-05-07 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Chemically Induced Nuclear Pore Complex Protein Degradation via TRIM21.
Acs Chem.Biol., 20, 2025
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8CZ9
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7JRN
 | | Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617 | | Descriptor: | 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, SULFATE ION, ... | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-08-12 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.
Acs Cent.Sci., 7, 2021
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8WPG
 | | Human calcium-sensing receptor bound with cinacalcet in detergent | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Ling, S.L, Meng, X.Y, Tian, C.L. | | Deposit date: | 2023-10-10 | | Release date: | 2023-11-22 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex.
Cell Res., 34, 2024
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8WPU
 | | Human calcium-sensing receptor(CaSR) bound to cinacalcet in complex with Gq protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Ling, S.L, Meng, X.Y, Tian, C.L. | | Deposit date: | 2023-10-10 | | Release date: | 2023-11-22 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex.
Cell Res., 34, 2024
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6WF5
 | | Crystal structure of human Naa50 in complex with a truncated cofactor derived inhibitor (compound 2) | | Descriptor: | (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ACE-MET-LEU-GLY-PRO-NH2, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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6WFG
 | | Crystal structure of human Naa50 in complex with an inhibitor (compound 3) identified using DNA encoded library technology | | Descriptor: | (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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