7CIB
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![BU of 7cib by Molmil](/molmil-images/mine/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
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![BU of 7ci7 by Molmil](/molmil-images/mine/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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5GUE
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![BU of 5gue by Molmil](/molmil-images/mine/5gue) | Crystal structure of CotB2 (GGSPP/Mg2+-Bound Form) from Streptomyces melanosporofaciens | 分子名称: | Cyclooctat-9-en-7-ol synthase, MAGNESIUM ION, phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid | 著者 | Tomita, T, Kim, S.-Y, Ozaki, T, Yoshida, A, Kuzuyama, T, Nishiyama, M. | 登録日 | 2016-08-28 | 公開日 | 2017-06-07 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural Insights into the CotB2-Catalyzed Cyclization of Geranylgeranyl Diphosphate to the Diterpene Cyclooctat-9-en-7-ol ACS Chem. Biol., 12, 2017
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5GUC
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![BU of 5guc by Molmil](/molmil-images/mine/5guc) | Crystal structure of CotB2 (apo form) from Streptomyces melanosporofaciens | 分子名称: | Cyclooctat-9-en-7-ol synthase, FORMIC ACID | 著者 | Tomita, T, Kim, S.-Y, Ozaki, T, Yoshida, A, Kuzuyama, T, Nishiyama, M. | 登録日 | 2016-08-28 | 公開日 | 2017-06-07 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural Insights into the CotB2-Catalyzed Cyclization of Geranylgeranyl Diphosphate to the Diterpene Cyclooctat-9-en-7-ol ACS Chem. Biol., 12, 2017
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7CIA
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![BU of 7cia by Molmil](/molmil-images/mine/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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7CI8
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![BU of 7ci8 by Molmil](/molmil-images/mine/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
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![BU of 7cie by Molmil](/molmil-images/mine/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
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![BU of 7ci6 by Molmil](/molmil-images/mine/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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7CI4
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![BU of 7ci4 by Molmil](/molmil-images/mine/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
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![BU of 7cic by Molmil](/molmil-images/mine/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
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![BU of 7ci9 by Molmil](/molmil-images/mine/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
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![BU of 7ci5 by Molmil](/molmil-images/mine/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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6KRU
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![BU of 6kru by Molmil](/molmil-images/mine/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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3UIX
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![BU of 3uix by Molmil](/molmil-images/mine/3uix) | |
7C3G
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![BU of 7c3g by Molmil](/molmil-images/mine/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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7CDC
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![BU of 7cdc by Molmil](/molmil-images/mine/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
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![BU of 7cdf by Molmil](/molmil-images/mine/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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7CDG
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![BU of 7cdg by Molmil](/molmil-images/mine/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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7CDD
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![BU of 7cdd by Molmil](/molmil-images/mine/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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7CDE
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![BU of 7cde by Molmil](/molmil-images/mine/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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3UMX
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![BU of 3umx by Molmil](/molmil-images/mine/3umx) | Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indol-3-yl)methylene]-7-(azepan-1-ylmethyl)-6-hydroxybenzofuran-3(2H)-one | 分子名称: | (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3(2H)-one, Proto-oncogene serine/threonine-protein kinase pim-1, SULFATE ION | 著者 | Parker, L.J, Handa, N, Yokoyama, S. | 登録日 | 2011-11-15 | 公開日 | 2012-08-08 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor Acta Crystallogr.,Sect.F, 68, 2012
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3WWR
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![BU of 3wwr by Molmil](/molmil-images/mine/3wwr) | Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1-((((1S,2R,6R,Z)-2,6-dihydroxy-4-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methylhexahydro-1H-inden-4(2H)-ylidene)ethylidene)-3-methylenecyclohexyl)oxy)methyl)cyclopropanecarbonitrile | 分子名称: | 1-({[(1R,2S,3R,5Z,7E,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}methyl)cyclopropanecarbonitrile, Vitamin D3 receptor | 著者 | Kakuda, S, Takimoto-Kamimura, M. | 登録日 | 2014-06-27 | 公開日 | 2014-12-31 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | 主引用文献 | Synthesis and biological activities of vitamin D3 derivatives with cyanoalkyl side chain at C-2 position. J.Steroid Biochem.Mol.Biol., 148, 2015
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6JUX
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![BU of 6jux by Molmil](/molmil-images/mine/6jux) | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-71807 | 分子名称: | 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine, Activin receptor type-1, SULFATE ION | 著者 | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | 登録日 | 2019-04-15 | 公開日 | 2020-04-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural Basis of Activin Receptor-Like Kinase 2 (R206H) Inhibition by Bis-heteroaryl Pyrazole-Based Inhibitors for the Treatment of Fibrodysplasia Ossificans Progressiva Identified by the Integration of Ligand-Based and Structure-Based Drug Design Approaches. Acs Omega, 5, 2020
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5Z25
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![BU of 5z25 by Molmil](/molmil-images/mine/5z25) | Trimeric Alpha-Helix-Inserted Circular Permutant of Cytochrome c555 | 分子名称: | Cytochrome c552, HEME C, TETRAETHYLENE GLYCOL | 著者 | Oda, A, Nagao, S, Yamanaka, M, Ueda, I, Shibata, N, Higuchi, Y, Hirota, S. | 登録日 | 2017-12-28 | 公開日 | 2018-03-07 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Construction of a Triangle-Shaped Trimer and a Tetrahedron Using an alpha-Helix-Inserted Circular Permutant of Cytochrome c555. Chem Asian J, 13, 2018
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3PAZ
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![BU of 3paz by Molmil](/molmil-images/mine/3paz) | REDUCED NATIVE 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 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.73 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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