7YG3
 
 | | Crystal structure of HLA-B*13:01 | | Descriptor: | ARG-GLN-ASP-ILE-LEU-ASP-LEU-TRP-ILE, Beta-2-microglobulin, MHC class I antigen | | Authors: | Wang, H.S, Ouyang, S.Y. | | Deposit date: | 2022-07-11 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Functional and structural characteristics of HLA-B*13:01-mediated specific T cells reaction in dapsone-induced drug hypersensitivity.
J.Biomed.Sci., 29, 2022
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3ZG6
 | | The novel de-long chain fatty acid function of human sirt6 | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, GLYCEROL, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-6, ... | | Authors: | Wang, Y, Hao, Q. | | Deposit date: | 2012-12-15 | | Release date: | 2013-04-03 | | Last modified: | 2013-04-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Sirt6 Regulates Tnf-Alpha Secretion Through Hydrolysis of Long-Chain Fatty Acyl Lysine
Nature, 496, 2013
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8WZQ
 | | Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with CCF0058981 | | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5 | | Authors: | Zou, X.F, Jiang, H.H, Zhou, X.L, Zhang, J, Li, J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981.
Biochem.Biophys.Res.Commun., 692, 2024
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8WZP
 | | Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with CCF0058981 | | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5 | | Authors: | Jiang, H.H, Zou, X.F, Zhou, X.L, Zhang, J, Li, J. | | Deposit date: | 2023-11-02 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981.
Biochem.Biophys.Res.Commun., 692, 2024
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8YM7
 | | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with JH-45 | | Descriptor: | 4-[5-(4-azanylpiperidin-1-yl)-8-(4-methylphenyl)pyrido[3,4-b]pyrazin-7-yl]-2-fluoranyl-benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | | Authors: | Zhiyan, D, Danyan, C, Hong, J, Tongchao, L, Bing, X. | | Deposit date: | 2024-03-08 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Discovery of Novel LSD1 Inhibitors for the Treatment of Autosomal Dominant Polycystic Kidney Disease
To Be Published
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6JOY
 | | The X-ray Crystallographic Structure of Branching Enzyme from Rhodothermus obamensis STB05 | | Descriptor: | 1,4-alpha-glucan branching enzyme GlgB | | Authors: | Li, Z.F, Ban, X.F, Jiang, H.M, Wang, Z, Jin, T.C, Li, C.M, Gu, Z.B. | | Deposit date: | 2019-03-25 | | Release date: | 2020-03-04 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.392 Å) | | Cite: | Flexible Loop in Carbohydrate-Binding Module 48 Allosterically Modulates Substrate Binding of the 1,4-alpha-Glucan Branching Enzyme.
J.Agric.Food Chem., 69, 2021
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8HNK
 | | CXCR3-DNGi complex activated by CXCL11 | | Descriptor: | C-X-C motif chemokine 11, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Jiao, H.Z, Hu, H.L. | | Deposit date: | 2022-12-08 | | Release date: | 2023-11-29 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
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8HNN
 | | Structure of CXCR3 complexed with antagonist SCH546738 | | Descriptor: | 3-azanyl-6-chloranyl-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide, CHOLESTEROL, Nb6, ... | | Authors: | Jiao, H.Z, Hu, H.L. | | Deposit date: | 2022-12-08 | | Release date: | 2023-11-29 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
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8HNL
 | | CXCR3-DNGi complex activated by PS372424 | | Descriptor: | (3S)-N-[(2S)-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Jiao, H.Z, Hu, H.L. | | Deposit date: | 2022-12-08 | | Release date: | 2023-11-29 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
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8HNM
 | | CXCR3-DNGi complex activated by VUF11222 | | Descriptor: | CHOLESTEROL, 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: | Jiao, H.Z, Hu, H.L. | | Deposit date: | 2022-12-08 | | Release date: | 2023-11-29 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
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8K2W
 | | Structure of CXCR3 complexed with antagonist AMG487 | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide, ... | | Authors: | Jiao, H.Z, Hu, H.L. | | Deposit date: | 2023-07-14 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure basis for the modulation of CXC chemokine receptor 3 by antagonist AMG487.
Cell Discov, 9, 2023
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6IG2
 | | Structure of mitochondrial CDP-DAG synthase Tam41 complexed with CTP, delta 74, F240A | | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, Phosphatidate cytidylyltransferase, mitochondrial | | Authors: | Jiao, H.Z, Yin, Y, Liu, Z.F. | | Deposit date: | 2018-09-23 | | Release date: | 2019-07-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.882 Å) | | Cite: | Structures of the Mitochondrial CDP-DAG Synthase Tam41 Suggest a Potential Lipid Substrate Pathway from Membrane to the Active Site.
Structure, 27, 2019
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6IG4
 | | Structure of mitochondrial CDP-DAG synthase Tam41, delta 74 | | Descriptor: | PLATINUM (II) ION, Phosphatidate cytidylyltransferase, mitochondrial, ... | | Authors: | Jiao, H.Z, Yin, Y, Liu, Z.F. | | Deposit date: | 2018-09-23 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.261 Å) | | Cite: | Structures of the Mitochondrial CDP-DAG Synthase Tam41 Suggest a Potential Lipid Substrate Pathway from Membrane to the Active Site.
Structure, 27, 2019
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8HVU
 | | Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF07304814 | | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | Authors: | Zeng, P, Zhang, J, Li, J. | | Deposit date: | 2022-12-28 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
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8HVX
 | | Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with PF07304814 | | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | Authors: | Zhou, X.L, Zhang, J, Li, J. | | Deposit date: | 2022-12-28 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
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8HVV
 | | Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF07304814 | | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | Authors: | Zeng, X.Y, Zhang, J, Li, J. | | Deposit date: | 2022-12-28 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
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8HVY
 | | Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF07304814 | | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | Authors: | Wang, J, Zhang, J, Li, J. | | Deposit date: | 2022-12-28 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
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8HVZ
 | | Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF07304814 | | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | Authors: | Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2022-12-28 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
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8HVW
 | | Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF07304814 | | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | Authors: | Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2022-12-28 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
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4QKN
 | | Crystal structure of FTO bound to a selective inhibitor | | Descriptor: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, ... | | Authors: | Yang, C.-G, Huang, Y, Gan, J. | | Deposit date: | 2014-06-07 | | Release date: | 2014-12-03 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Meclofenamic acid selectively inhibits FTO demethylation of m6A over ALKBH5.
Nucleic Acids Res., 43, 2015
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7BVD
 | | Anthranilate synthase component I (TrpE)[Mycolicibacterium smegmatis] | | Descriptor: | Anthranilate synthase component 1, BENZOIC ACID, GLYCEROL, ... | | Authors: | Chen, Y, Che, S, Zhang, Q, Bartlam, M. | | Deposit date: | 2020-04-10 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of subunit I of the anthranilate synthase complex of Mycolicibacterium smegmatis
Biochem.Biophys.Res.Commun., 527, 2020
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6FMF
 | | Neuropilin-1 b1 domain in complex with EG01377; 2.8 Angstrom structure | | Descriptor: | (2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid, Neuropilin-1, trifluoroacetic acid | | Authors: | Yelland, T, Djordjevic, S, Selwood, D, Zachary, I, Frankel, P. | | Deposit date: | 2018-01-31 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.811 Å) | | Cite: | Small Molecule Neuropilin-1 Antagonists Combine Antiangiogenic and Antitumor Activity with Immune Modulation through Reduction of Transforming Growth Factor Beta (TGF beta ) Production in Regulatory T-Cells.
J. Med. Chem., 61, 2018
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6FMC
 | | Neuropilin1-b1 domain in complex with EG01377, 0.9 Angstrom structure | | Descriptor: | (2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid, Neuropilin-1 | | Authors: | Yelland, T, Djordjevic, S, Fotinou, K, Selwood, D, Zachary, I, Frankel, P. | | Deposit date: | 2018-01-30 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Small Molecule Neuropilin-1 Antagonists Combine Antiangiogenic and Antitumor Activity with Immune Modulation through Reduction of Transforming Growth Factor Beta (TGF beta ) Production in Regulatory T-Cells.
J. Med. Chem., 61, 2018
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8K5Q
 | | Crystal structure of YajQ STM0435 with c-di-GMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), YajQ | | Authors: | Dai, Y, Zhang, M, Wang, W, Li, B. | | Deposit date: | 2023-07-23 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | A c-di-GMP binding effector STM0435 modulates flagellar motility and pathogenicity in Salmonella
Virulence, 15, 2024
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8K4I
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