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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6R4V
 | | Crystal structure of human geranylgeranyl diphosphate synthase bound to ibandronate | | Descriptor: | GLYCEROL, Geranylgeranyl pyrophosphate synthase, IBANDRONATE, ... | | Authors: | Lisnyansky, M, Giladi, M, Haitin, Y. | | Deposit date: | 2019-03-24 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Metal Coordination Is Crucial for Geranylgeranyl Diphosphate Synthase-Bisphosphonate Interactions: A Crystallographic and Computational Analysis.
Mol.Pharmacol., 96, 2019
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7CK6
 | | Protein translocase of mitochondria | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Mitochondrial import receptor subunit TOM22 homolog, Mitochondrial import receptor subunit TOM40 homolog, ... | | Authors: | Yang, M, Wang, W, Zhang, L, Chen, X. | | Deposit date: | 2020-07-15 | | Release date: | 2020-11-04 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Atomic structure of human TOM core complex.
Cell Discov, 6, 2020
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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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4PSX
 | | Crystal structure of histone acetyltransferase complex | | Descriptor: | COENZYME A, Histone H3, Histone H4, ... | | Authors: | Yang, M, Li, Y. | | Deposit date: | 2014-03-08 | | Release date: | 2014-07-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.509 Å) | | Cite: | Hat2p recognizes the histone H3 tail to specify the acetylation of the newly synthesized H3/H4 heterodimer by the Hat1p/Hat2p complex
Genes Dev., 28, 2014
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4PSW
 | | Crystal structure of histone acetyltransferase complex | | Descriptor: | COENZYME A, Histone H4 type VIII, Histone acetyltransferase type B catalytic subunit, ... | | Authors: | Yang, M, Li, Y. | | Deposit date: | 2014-03-08 | | Release date: | 2014-07-09 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Hat2p recognizes the histone H3 tail to specify the acetylation of the newly synthesized H3/H4 heterodimer by the Hat1p/Hat2p complex
Genes Dev., 28, 2014
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1AUU
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2UXN
 | | Structural Basis of Histone Demethylation by LSD1 Revealed by Suicide Inactivation | | Descriptor: | CHLORIDE ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Yang, M, Culhane, J.C, Szewczuk, L.M, Gocke, C.B, Brautigam, C.A, Tomchick, D.R, Machius, M, Cole, P.A, Yu, H. | | Deposit date: | 2007-03-28 | | Release date: | 2007-05-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Structural Basis of Histone Demethylation by Lsd1 Revealed by Suicide Inactivation.
Nat.Struct.Mol.Biol., 14, 2007
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2UXX
 | | Human LSD1 Histone Demethylase-CoREST in complex with an FAD- tranylcypromine adduct | | Descriptor: | CHLORIDE ION, FAD-trans-2-Phenylcyclopropylamine Adduct, GLYCEROL, ... | | Authors: | Yang, M, Culhane, J.C, Machius, M, Cole, P.A, Yu, H. | | Deposit date: | 2007-03-30 | | Release date: | 2007-08-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structural Basis for the Inhibition of the Lsd1 Histone Demethylase by the Antidepressant Trans-2-Phenylcyclopropylamine.
Biochemistry, 46, 2007
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7OKB
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 45 | | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, SULFATE ION, ... | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.58 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
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7OKA
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 14 | | Descriptor: | 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-(1~{H}-imidazol-4-ylmethyl)ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, ... | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
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7OJ6
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1 | | Descriptor: | 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, ACETATE ION, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, ... | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-14 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
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7OJY
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 6 | | Descriptor: | 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
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7OKC
 | | Crystal structure of Escherichia coli LpxA in complex with compound 1 | | Descriptor: | 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, SODIUM ION | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
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7OK1
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3 | | Descriptor: | Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
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7OJP
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1 | | Descriptor: | 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, MAGNESIUM ION | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
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7OJQ
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 7 | | Descriptor: | 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
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