5PAZ
 
 | | REDUCED MUTANT P80A PSEUDOAZURIN FROM A. FAECALIS | | 分子名称: | COPPER (II) ION, PSEUDOAZURIN | | 著者 | Adman, E.T, Libeu, C.A.P. | | 登録日 | 1997-02-21 | | 公開日 | 1997-08-20 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Site-directed mutants of pseudoazurin: explanation of increased redox potentials from X-ray structures and from calculation of redox potential differences.
Biochemistry, 36, 1997
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7CID
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | 1-[3-(4-chlorophenyl)propyl]imidazole, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | 著者 | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CI4
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | (2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CIC
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | 2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CI9
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 2-azanyl-2-[[4-[2-[3-[[2-[(1S)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol, PHOSPHATE ION, ... | | 著者 | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CI5
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | (3R)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | 著者 | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CIB
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | 2-oxidanyl-4-phenyl-benzoic acid, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | 著者 | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CI7
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | (2R,3R)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CI8
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | (1S)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol, MAGNESIUM ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | 著者 | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CIE
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | (2R)-2-azanyl-3-oxidanyl-N-[3-(trifluoromethyloxy)phenyl]propanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CI6
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol, CHLORIDE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | 著者 | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CIA
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | 4-HYDROXY-BENZOIC ACID METHYL ESTER, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7C3G
 | | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134 | | 分子名称: | 1,2-ETHANEDIOL, Activin receptor type-1, SULFATE ION, ... | | 著者 | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | | 登録日 | 2020-05-12 | | 公開日 | 2021-03-03 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | | 主引用文献 | Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva.
Bioorg.Med.Chem.Lett., 38, 2021
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6IR4
 | | Crystal structure of BioU from Synechocystis sp.PCC6803 (apo form) | | 分子名称: | Slr0355 protein | | 著者 | Sakaki, K, Oishi, K, Shimizu, T, Tomita, T, Kuzuyama, T, Nishiyama, M. | | 登録日 | 2018-11-10 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A suicide enzyme catalyzes multiple reactions for biotin biosynthesis in cyanobacteria.
Nat.Chem.Biol., 16, 2020
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3UIX
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6KRU
 | | Crystal structure of mouse IgG2b Fc | | 分子名称: | Ig gamma-2B chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Taniguchi, Y, Satoh, T, Yagi, H, Kato, K. | | 登録日 | 2019-08-22 | | 公開日 | 2020-01-22 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | On-Membrane Dynamic Interplay between Anti-GM1 IgG Antibodies and Complement Component C1q.
Int J Mol Sci, 21, 2019
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6KRV
 | | Crystal structure of mouse IgG2b Fc complexed with B domain of Protein A | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-2B chain C region, ... | | 著者 | Taniguchi, Y, Satoh, T, Yagi, H, Kato, K. | | 登録日 | 2019-08-22 | | 公開日 | 2020-01-22 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | On-Membrane Dynamic Interplay between Anti-GM1 IgG Antibodies and Complement Component C1q.
Int J Mol Sci, 21, 2019
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7CDC
 | | Crystal structure of LSD1-CoREST in complex with PRSFLVRRP peptide | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | | 著者 | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | | 登録日 | 2020-06-19 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
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7CDF
 | | Crystal structure of LSD1-CoREST in complex with PRSFLVRRK peptide | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | | 著者 | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | | 登録日 | 2020-06-19 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
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7CDD
 | | Crystal structure of LSD1-CoREST in complex with PRSFLVRR peptide | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | | 著者 | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | | 登録日 | 2020-06-19 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
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7CDG
 | | Crystal structure of LSD1-CoREST in complex with PRSFLVRRR peptide | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | | 著者 | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | | 登録日 | 2020-06-19 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
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7CDE
 | | Crystal structure of LSD1-CoREST in complex with PRSFLVRKR peptide | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | | 著者 | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | | 登録日 | 2020-06-19 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
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6ACR
 | | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-59638 | | 分子名称: | Activin receptor type-1, N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine, SULFATE ION | | 著者 | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | | 登録日 | 2018-07-27 | | 公開日 | 2019-03-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Bis-Heteroaryl Pyrazoles: Identification of Orally Bioavailable Inhibitors of Activin Receptor-Like Kinase-2 (R206H).
Chem. Pharm. Bull., 67, 2019
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4PAZ
 | | OXIDIZED MUTANT P80A PSEUDOAZURIN FROM A. FAECALIS | | 分子名称: | COPPER (II) ION, PSEUDOAZURIN | | 著者 | Adman, E.T, Libeu, C.A.P. | | 登録日 | 1997-02-20 | | 公開日 | 1997-08-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Site-directed mutants of pseudoazurin: explanation of increased redox potentials from X-ray structures and from calculation of redox potential differences.
Biochemistry, 36, 1997
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3TDC
 | | Crystal Structure of Human Acetyl-CoA carboxylase 2 | | 分子名称: | 1-[3-({4-[(5S)-3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]piperidin-1-yl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea, Acetyl-CoA carboxylase 2 variant | | 著者 | Dougan, D.R, Mol, C.D. | | 登録日 | 2011-08-10 | | 公開日 | 2011-10-12 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Design, synthesis, and structure-activity relationships of spirolactones bearing 2-ureidobenzothiophene as acetyl-CoA carboxylases inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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