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6IOP
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BU of 6iop by Molmil
The ligand binding domain of Mlp24
分子名称: ACETATE ION, ALANINE, CALCIUM ION, ...
著者Sumita, K, Takahashi, Y, Nishiyama, S, Kawagishi, I, Imada, K.
登録日2018-10-31
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Calcium Ions Modulate Amino Acid Sensing of the Chemoreceptor Mlp24 ofVibrio cholerae.
J. Bacteriol., 201, 2019
6IOX
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BU of 6iox by Molmil
Crystal structure of Porphyromonas gingivalis phosphotransacetylase in complex with acetyl-CoA
分子名称: ACETYL COENZYME *A, Phosphotransacetylase
著者Kezuka, Y, Yoshida, Y, Nonaka, T.
登録日2018-10-31
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Characterization of the phosphotransacetylase-acetate kinase pathway for ATP production inPorphyromonas gingivalis.
J Oral Microbiol, 11, 2019
6IOW
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BU of 6iow by Molmil
Crystal structure of Porphyromonas gingivalis phosphotransacetylase
分子名称: Phosphotransacetylase
著者Kezuka, Y, Yoshida, Y, Nonaka, T.
登録日2018-10-31
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Characterization of the phosphotransacetylase-acetate kinase pathway for ATP production inPorphyromonas gingivalis.
J Oral Microbiol, 11, 2019
8KI0
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BU of 8ki0 by Molmil
Crystal structure of the hemophore HasA from Pseudomonas protegens Pf-5 capturing Fe-tetraphenylporphyrin
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Heme acquisition protein HasAp, ...
著者Shisaka, Y, Inaba, H, Sugimoto, H, Shoji, O.
登録日2023-08-22
公開日2024-03-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Heme-substituted protein assembly bridged by synthetic porphyrin: achieving controlled configuration while maintaining rotational freedom.
Rsc Adv, 14, 2024
8KI1
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Crystal structure of the holo form of the hemophore HasA from Pseudomonas protegens Pf-5
分子名称: GLYCEROL, Heme acquisition protein HasAp, PHOSPHATE ION, ...
著者Shisaka, Y, Inaba, H, Sugimoto, H, Shoji, O.
登録日2023-08-22
公開日2024-03-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Heme-substituted protein assembly bridged by synthetic porphyrin: achieving controlled configuration while maintaining rotational freedom.
Rsc Adv, 14, 2024
8II0
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FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(3-(3-chlorophenyl)isoxazol-5-yl)-3-hydroxypicolinoyl)glycine
分子名称: 2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
著者Nakashima, Y, Corner, T, Zhang, X, Schofield, C.J.
登録日2023-02-24
公開日2024-02-28
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献A Small-Molecule Inhibitor of Factor Inhibiting HIF Binding to a Tyrosine-flip Pocket for the Treatment of Obesity.
Angew.Chem.Int.Ed.Engl., 2024
8IHZ
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BU of 8ihz by Molmil
FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(1-(3-(4-chlorophenyl)propyl)-1H-1,2,3-triazol-4-yl)-3-hydroxypicolinoyl)glycine
分子名称: 2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ...
著者Nakashima, Y, Corner, T, Zhang, X, Schofield, C.J.
登録日2023-02-24
公開日2024-02-28
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献A Small-Molecule Inhibitor of Factor Inhibiting HIF Binding to a Tyrosine-flip Pocket for the Treatment of Obesity.
Angew.Chem.Int.Ed.Engl., 2024
8K71
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Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((2-((naphthalen-2-ylmethyl)sulfonyl)acetyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid
分子名称: 2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
著者Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J.
登録日2023-07-26
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
8K72
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BU of 8k72 by Molmil
Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((3-(phenylsulfonamido)propanoyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid
分子名称: 2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
著者Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J.
登録日2023-07-26
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
8K73
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BU of 8k73 by Molmil
Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((1-(phenylsulfonyl)pyrrolidine-3-carbonyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid
分子名称: 2-[(2~{Z})-3-oxidanyl-2-[(3~{R})-1-(phenylsulfonyl)pyrrolidin-3-yl]carbonylimino-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
著者Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J.
登録日2023-07-26
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
7XUD
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BU of 7xud by Molmil
Structure of G9a in complex with compound 26a
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
7XUA
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Structure of G9a in complex with compound 10a
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ...
著者Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
7XUC
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BU of 7xuc by Molmil
Structure of G9a in complex with compound 11a
分子名称: 1,2-ETHANEDIOL, 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide, CHLORIDE ION, ...
著者Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
7XUB
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BU of 7xub by Molmil
Structure of G9a in complex with compound 10d
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ...
著者Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
3VWR
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BU of 3vwr by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/R187G/H266N/D370Y mutant complexd with 6-aminohexanoate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
登録日2012-08-30
公開日2013-10-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
3VWM
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BU of 3vwm by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187A/H266N/D370Y mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
著者Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
登録日2012-08-30
公開日2013-10-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
3VWQ
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BU of 3vwq by Molmil
6-aminohexanoate-dimer hydrolase S112A/G181D/R187A/H266N/D370Y mutant complexd with 6-aminohexanoate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
登録日2012-08-30
公開日2013-10-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
to be published
3VWP
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BU of 3vwp by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/R187S/H266N/D370Y mutant complexd with 6-aminohexanoate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
登録日2012-08-30
公開日2013-10-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
to be published
3VWN
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BU of 3vwn by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187G/H266N/D370Y mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
著者Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
登録日2012-08-30
公開日2013-10-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
3VWL
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BU of 3vwl by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187S/H266N/D370Y mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
著者Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
登録日2012-08-30
公開日2013-10-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
6AD9
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BU of 6ad9 by Molmil
Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-9
分子名称: 12-mer peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, 3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one, Peroxisome proliferator-activated receptor gamma
著者Takahashi, Y, Suzuki, M, Yamamoto, K, Saito, J.
登録日2018-07-31
公開日2018-11-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Development of Dihydrodibenzooxepine Peroxisome Proliferator-Activated Receptor (PPAR) Gamma Ligands of a Novel Binding Mode as Anticancer Agents: Effective Mimicry of Chiral Structures by Olefinic E/ Z-Isomers.
J. Med. Chem., 61, 2018
5XSO
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BU of 5xso by Molmil
Crystal structure of full-length FixJ from B. japonicum crystallized in space group C2221
分子名称: FORMIC ACID, GLYCEROL, Response regulator FixJ
著者Nishizono, Y, Hisano, T, Sawai, H, Shiro, Y, Nakamura, H, Wright, G.S.A, Saeki, A, Hikima, T, Yamamoto, M, Antonyuk, S.V, Hasnain, S.S.
登録日2017-06-14
公開日2018-05-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.778 Å)
主引用文献Architecture of the complete oxygen-sensing FixL-FixJ two-component signal transduction system.
Sci Signal, 11, 2018
5XT2
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BU of 5xt2 by Molmil
Crystal structures of full-length FixJ from B. japonicum crystallized in space group P212121
分子名称: FORMIC ACID, GLYCEROL, MAGNESIUM ION, ...
著者Nishizono, Y, Hisano, T, Shiro, Y, Sawai, H, Wright, G.S.A, Saeki, A, Hikima, T, Nakamura, H, Yamamoto, M, Antonyuk, S.V, Hasnain, S.S.
登録日2017-06-16
公開日2018-05-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.652 Å)
主引用文献Architecture of the complete oxygen-sensing FixL-FixJ two-component signal transduction system.
Sci Signal, 11, 2018
2KFK
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BU of 2kfk by Molmil
Solution structure of Bem1p PB1 domain complexed with Cdc24p PB1 domain
分子名称: Bud emergence protein 1, Cell division control protein 24
著者Kobashigawa, Y, Yoshinaga, S, Tandai, T, Ogura, K, Inagaki, F.
登録日2009-02-23
公開日2009-10-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR structure of the heterodimer of Bem1 and Cdc24 PB1 domains from Saccharomyces cerevisiae
J.Biochem., 146, 2009
7CE4
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BU of 7ce4 by Molmil
Tankyrase2 catalytic domain in complex with K-476
分子名称: 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4H-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile, Poly [ADP-ribose] polymerase tankyrase-2, SULFATE ION, ...
著者Takahashi, Y, Suzuki, M, Saito, J.
登録日2020-06-22
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The dual pocket binding novel tankyrase inhibitor K-476 enhances the efficacy of immune checkpoint inhibitor by attracting CD8 + T cells to tumors.
Am J Cancer Res, 11, 2021

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