8ZT9
 
 | | The Crystal structure of mol066 bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-propan-2-yl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione, GLYCEROL | | Authors: | Yan, M, Zhang, H. | | Deposit date: | 2024-06-06 | | Release date: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Development of pyrimidone derivatives as nonpeptidic and noncovalent 3-chymotrypsin-like protease (3CL pro ) inhibitors with anti-coronavirus activities.
Bioorg.Chem., 154, 2025
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8ZUC
 | | The Crystal structure of mol080 bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | | Descriptor: | 3C-like proteinase, 6-[[6-chloranyl-2-(3-methylbutyl)indazol-5-yl]amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione | | Authors: | Yan, M, Zhang, H. | | Deposit date: | 2024-06-08 | | Release date: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Development of pyrimidone derivatives as nonpeptidic and noncovalent 3-chymotrypsin-like protease (3CL pro ) inhibitors with anti-coronavirus activities.
Bioorg.Chem., 154, 2025
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8ZUB
 | | The Crystal structure of mol075 bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-pentyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione | | Authors: | Yan, M, Zhang, H. | | Deposit date: | 2024-06-08 | | Release date: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Development of pyrimidone derivatives as nonpeptidic and noncovalent 3-chymotrypsin-like protease (3CL pro ) inhibitors with anti-coronavirus activities.
Bioorg.Chem., 154, 2025
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3QML
 | | The structural analysis of Sil1-Bip complex reveals the mechanism for Sil1 to function as a novel nucleotide exchange factor | | Descriptor: | 78 kDa glucose-regulated protein homolog, MAGNESIUM ION, Nucleotide exchange factor SIL1, ... | | Authors: | Yan, M, Li, J.Z, Sha, B.D. | | Deposit date: | 2011-02-04 | | Release date: | 2011-06-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural analysis of the Sil1-Bip complex reveals the mechanism for Sil1 to function as a nucleotide-exchange factor.
Biochem.J., 438, 2011
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3QFU
 | | Crystal structure of Yeast Hsp70 (Bip/kar2) complexed with ADP | | Descriptor: | 78 kDa glucose-regulated protein homolog, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Yan, M, Li, J.Z, Sha, B.D. | | Deposit date: | 2011-01-22 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural analysis of the Sil1-Bip complex reveals the mechanism for Sil1 to function as a nucleotide-exchange factor.
Biochem.J., 438, 2011
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3QFP
 | | Crystal structure of yeast Hsp70 (Bip/Kar2) ATPase domain | | Descriptor: | 78 kDa glucose-regulated protein homolog, PHOSPHATE ION | | Authors: | Yan, M, Li, J.Z, Sha, B.D. | | Deposit date: | 2011-01-22 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structural analysis of the Sil1-Bip complex reveals the mechanism for Sil1 to function as a nucleotide-exchange factor.
Biochem.J., 438, 2011
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8IQU
 | | Structure of MtbFadD23 with PhU-AMS | | Descriptor: | 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine, Fatty-acid-CoA ligase FadD23 | | Authors: | Yan, M.R, Zhang, W. | | Deposit date: | 2023-03-17 | | Release date: | 2023-04-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structural basis for the development of potential inhibitors targeting FadD23 from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 79, 2023
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8HCZ
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8HDF
 | | Full length crystal structure of mycobacterium tuberculosis FadD23 in complex with ANP and PLM | | Descriptor: | Long-chain-fatty-acid--AMP ligase FadD23, PALMITIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Yan, M.R, Liu, X, Zhang, W, Rao, Z.H. | | Deposit date: | 2022-11-04 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms.
Front Microbiol, 14, 2023
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8HD4
 | | Full-length crystal structure of mycobacterium tuberculosis FadD23 in complex with AMPC16 | | Descriptor: | Long-chain-fatty-acid--AMP ligase FadD23, palmitoyl adenylate | | Authors: | Yan, M.R, Liu, X, Zhang, W, Rao, Z.H. | | Deposit date: | 2022-11-03 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms.
Front Microbiol, 14, 2023
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8HEF
 | | The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL | | Authors: | Yan, M, Zhang, H. | | Deposit date: | 2022-11-08 | | Release date: | 2023-04-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2.
Antiviral Res., 213, 2023
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5YE2
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5YE1
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8ANC
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8ANB
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8ZE6
 | | Crystal structure of MjHKU4r-CoV-1 RBD bound to MjDPP4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | | Authors: | Yang, M, Li, Z, Xu, Y, Zhang, S. | | Deposit date: | 2024-05-04 | | Release date: | 2024-10-30 | | Last modified: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for human DPP4 receptor recognition by a pangolin MERS-like coronavirus.
Plos Pathog., 20, 2024
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8ZDX
 | | Crystal structure of MjHKU4r-CoV-1 RBD bound to hDPP4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Yang, M, Li, Z, Xu, Y, Zhang, S. | | Deposit date: | 2024-05-03 | | Release date: | 2024-10-30 | | Last modified: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for human DPP4 receptor recognition by a pangolin MERS-like coronavirus.
Plos Pathog., 20, 2024
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3T9N
 | | Crystal structure of a membrane protein | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Small-conductance mechanosensitive channel | | Authors: | Yang, M, Zhang, X, Ge, J, Wang, J. | | Deposit date: | 2011-08-03 | | Release date: | 2012-10-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.456 Å) | | Cite: | Structure and molecular mechanism of an anion-selective mechanosensitive channel of small conductance
Proc.Natl.Acad.Sci.USA, 109, 2012
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6PIK
 | | Tetrameric cryo-EM ArnA | | Descriptor: | Bifunctional polymyxin resistance protein ArnA, UDP-4-amino-4-deoxy-L-arabinose formyltransferase | | Authors: | Yang, M, Gehring, K. | | Deposit date: | 2019-06-26 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (7.8 Å) | | Cite: | Cryo-electron microscopy structures of ArnA, a key enzyme for polymyxin resistance, revealed unexpected oligomerizations and domain movements.
J.Struct.Biol., 208, 2019
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6PIH
 | | Hexameric ArnA cryo-EM structure | | Descriptor: | Bifunctional polymyxin resistance protein ArnA, UDP-4-amino-4-deoxy-L-arabinose formyltransferase | | Authors: | Yang, M, Gehring, K. | | Deposit date: | 2019-06-26 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Cryo-electron microscopy structures of ArnA, a key enzyme for polymyxin resistance, revealed unexpected oligomerizations and domain movements.
J.Struct.Biol., 208, 2019
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4IKG
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6G32
 | | Crystal structure of human geranylgeranyl diphosphate synthase mutant D188Y | | Descriptor: | GLYCEROL, Geranylgeranyl pyrophosphate synthase | | Authors: | Lisnyansky, M, Kapelushnik, N, Ben-Bassat, A, Marom, M, Loewenstein, A, Khananshvili, D, Giladi, M, Haitin, Y. | | Deposit date: | 2018-03-24 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.281 Å) | | Cite: | Reduced Activity of Geranylgeranyl Diphosphate Synthase Mutant Is Involved in Bisphosphonate-Induced Atypical Fractures.
Mol. Pharmacol., 94, 2018
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6G31
 | | Crystal structure of human geranylgeranyl diphosphate synthase mutant D188Y bound to zoledronate | | Descriptor: | Geranylgeranyl pyrophosphate synthase, MAGNESIUM ION, ZOLEDRONIC ACID | | Authors: | Lisnyansky, M, Kapelushnik, N, Ben-Bassat, A, Marom, M, Loewenstein, A, Khananshvili, D, Giladi, M, Haitin, Y. | | Deposit date: | 2018-03-24 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Reduced Activity of Geranylgeranyl Diphosphate Synthase Mutant Is Involved in Bisphosphonate-Induced Atypical Fractures.
Mol. Pharmacol., 94, 2018
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4F27
 | | Crystal structures reveal the multi-ligand binding mechanism of the Staphylococcus aureus ClfB | | Descriptor: | Clumping factor B, MAGNESIUM ION, peptide from Fibrinogen alpha chain | | Authors: | Yang, M.J, Xiang, H, Wang, J.W, Liu, B, Chen, Y.G, Liu, L, Deng, X.M, Feng, Y. | | Deposit date: | 2012-05-07 | | Release date: | 2012-08-08 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.917 Å) | | Cite: | Crystal Structures Reveal the Multi-Ligand Binding Mechanism of Staphylococcus aureus ClfB
Plos Pathog., 8, 2012
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4F20
 | | Crystal structures reveal the multi-ligand binding mechanism of the Staphylococcus aureus ClfB | | Descriptor: | Clumping factor B, MAGNESIUM ION, peptide from Dermokine | | Authors: | Yang, M.J, Xiang, H, Wang, J.W, Liu, B, Chen, Y.G, Liu, L, Deng, X.M, Feng, Y. | | Deposit date: | 2012-05-07 | | Release date: | 2012-08-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Crystal Structures Reveal the Multi-Ligand Binding Mechanism of Staphylococcus aureus ClfB
Plos Pathog., 8, 2012
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