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6IJY
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BU of 6ijy by Molmil
Crystal structure of human MTH1(G2K/C87A/C104S mutant) in complex with 8-oxo-dGTP determined using a crystal obtained under microgravity
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
著者Nakamura, T, Yamagata, Y.
登録日2018-10-12
公開日2019-02-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献X-ray Structure Analysis of Human Oxidized Nucleotide Hydrolase MTH1 using Crystals Obtained under Microgravity.
Int. J. Microgravity Sci. Appl., 36, 2019
6GTL
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BU of 6gtl by Molmil
Achromobacter cycloclastes copper nitrite reductase at pH 6.0
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ...
著者Halsted, T.P, Eady, R.R, Antonyuk, S.V, Hasnain, S.S.
登録日2018-06-18
公開日2019-07-03
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography.
Iucrj, 6, 2019
9J4H
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BU of 9j4h by Molmil
Crystal structure of SHMT apo form
分子名称: Serine hydroxymethyltransferase, TRIETHYLENE GLYCOL
著者Murayama, K, Hayashi, H.
登録日2024-08-09
公開日2024-10-09
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献SHIN-2 exerts potent activity against VanA-type vancomycin-resistant Enterococcus faecium in vitro by stabilizing the active site loop of serine hydroxymethyltransferase.
Arch.Biochem.Biophys., 761, 2024
9J4G
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BU of 9j4g by Molmil
Crystal structure of SHMT from E. faecium with (+)-SHIN-2
分子名称: (+)-SHIN-2, Serine hydroxymethyltransferase, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
著者Hayashi, H, Murayama, K.
登録日2024-08-09
公開日2024-10-09
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献SHIN-2 exerts potent activity against VanA-type vancomycin-resistant Enterococcus faecium in vitro by stabilizing the active site loop of serine hydroxymethyltransferase.
Arch.Biochem.Biophys., 761, 2024
5ZLE
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BU of 5zle by Molmil
Human duodenal cytochrome b (Dcytb) in substrate free form
分子名称: Cytochrome b reductase 1, PROTOPORPHYRIN IX CONTAINING FE
著者Ganasen, M, Togashi, H, Mauk, G.A, Shiro, Y, Sawai, H, Sugimoto, H.
登録日2018-03-27
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for promotion of duodenal iron absorption by enteric ferric reductase with ascorbate.
Commun Biol, 1, 2018
7F83
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Crystal Structure of a receptor in Complex with inverse agonist
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone, Growth hormone secretagogue receptor type 1,Soluble cytochrome b562
著者Xu, Z, Shao, Z.
登録日2021-07-01
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Molecular mechanism of agonism and inverse agonism in ghrelin receptor.
Nat Commun, 13, 2022
6OL9
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BU of 6ol9 by Molmil
Structure of the M5 muscarinic acetylcholine receptor (M5-T4L) bound to tiotropium
分子名称: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ...
著者Vuckovic, Z, Christopoulos, A, Thal, D.M.
登録日2019-04-16
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.541 Å)
主引用文献Crystal structure of the M5muscarinic acetylcholine receptor.
Proc.Natl.Acad.Sci.USA, 116, 2019
7V3Z
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Structure of cannabinoid receptor type 1(CB1)
分子名称: 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, CHOLESTEROL, FLAVIN MONONUCLEOTIDE, ...
著者Liu, Z.J, Shen, L, Hua, T, Yao, D.Q, Wu, L.J.
登録日2021-08-12
公開日2021-11-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献A Genetically Encoded F-19 NMR Probe Reveals the Allosteric Modulation Mechanism of Cannabinoid Receptor 1.
J.Am.Chem.Soc., 143, 2021
6EG8
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BU of 6eg8 by Molmil
Structure of the GDP-bound Gs heterotrimer
分子名称: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Hilger, D, Liu, X, Aschauer, P, Kobilka, B.K.
登録日2018-08-19
公開日2019-06-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Insights into the Process of GPCR-G Protein Complex Formation.
Cell, 177, 2019
4PI3
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BU of 4pi3 by Molmil
Crystal structure analysis of cruzain bound to vinyl sulfone analog of WRR-483 (WRR-666)
分子名称: Cruzipain, N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide
著者Tochowicz, A, McKerrow, J.H.
登録日2014-05-08
公開日2014-11-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Synthesis and Evaluation of Oxyguanidine Analogues of the Cysteine Protease Inhibitor WRR-483 against Cruzain.
Acs Med.Chem.Lett., 7, 2016
4RNG
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BU of 4rng by Molmil
Crystal structure of a bacterial homologue of SWEET transporters
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MtN3/saliva family, SULFATE ION
著者Hu, Q, Wang, J, Yan, C, Yan, N.
登録日2014-10-24
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of a bacterial homologue of SWEET transporters.
Cell Res., 24, 2014
6KX8
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BU of 6kx8 by Molmil
Crystal structure of mouse Cryptochrome 2 in complex with TH301 compound
分子名称: 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide, Cryptochrome-2
著者Miller, S.A, Aikawa, Y, Hirota, T.
登録日2019-09-10
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6KX7
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BU of 6kx7 by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with TH301 compound
分子名称: 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide, Cryptochrome-1
著者Miller, S.A, Aikawa, Y, Hirota, T.
登録日2019-09-10
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6KX5
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BU of 6kx5 by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with KL044 compound
分子名称: 2-carbazol-9-yl-N-(2-chloranyl-6-cyano-phenyl)ethanamide, Cryptochrome-1
著者Miller, S.A, Aikawa, Y, Hirota, T.
登録日2019-09-10
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6KX4
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BU of 6kx4 by Molmil
Crystal structure of mouse Cryptochrome 1 apo form
分子名称: Cryptochrome-1
著者Miller, S.A, Aikawa, Y, Hirota, T.
登録日2019-09-10
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6KX6
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BU of 6kx6 by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with KL101 compound
分子名称: Cryptochrome-1, ~{N}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethyl-benzamide
著者Miller, S.A, Aikawa, Y, Hirota, T.
登録日2019-09-10
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
7V3D
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BU of 7v3d by Molmil
Complex structure of serine hydroxymethyltransferase from Enterococcus faecium and its inhibitor
分子名称: (4R)-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1H-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, ...
著者Hayashi, H, Murayama, K.
登録日2021-08-10
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Serine hydroxymethyltransferase as a potential target of antibacterial agents acting synergistically with one-carbon metabolism-related inhibitors.
Commun Biol, 5, 2022
7X5N
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BU of 7x5n by Molmil
Crystal structure of E. faecium SHMT in complex with (+)-SHIN-1 and PLP-Ser
分子名称: (4R)-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1H-pyrano[2,3-c]pyrazole-5-carbonitrile, Serine hydroxymethyltransferase, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
著者Hasegawa, K, Hayashi, H.
登録日2022-03-05
公開日2022-07-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Serine hydroxymethyltransferase as a potential target of antibacterial agents acting synergistically with one-carbon metabolism-related inhibitors.
Commun Biol, 5, 2022
7X5O
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BU of 7x5o by Molmil
Crystal structure of E. faecium SHMT in complex with Me-THF and PLP-Gly
分子名称: N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, Serine hydroxymethyltransferase
著者Hasegawa, K, Hayashi, H.
登録日2022-03-05
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Serine hydroxymethyltransferase as a potential target of antibacterial agents acting synergistically with one-carbon metabolism-related inhibitors.
Commun Biol, 5, 2022
7W6Z
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Crystal structure of Kangiella koreensis RseP orthologue in complex with batimastat in space group P21
分子名称: 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, ZINC ION, Zinc metalloprotease
著者Imaizumi, Y, Takanuki, K, Nogi, T.
登録日2021-12-02
公開日2022-09-07
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
7W71
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Crystal structure of the PDZ-C domain of E. coli RseP in complex with 12C7 Fab
分子名称: Heavy chain of Fab, Light chain of Fab, Regulator of sigma-E protease RseP
著者Hirose, T, Katagiri, S, Nogi, T.
登録日2021-12-02
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
7W70
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Crystal structure of the PDZ-C domain fragment of Kangiella koreensis RseP orthologue
分子名称: Zinc metalloprotease
著者Miyoshi, K, Nogi, T.
登録日2021-12-02
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
7W6X
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BU of 7w6x by Molmil
Crystal structure of E. coli RseP in complex with batimastat
分子名称: 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, Regulator of sigma-E protease RseP, ZINC ION
著者Takanuki, K, Imaizumi, Y, Nogi, T.
登録日2021-12-02
公開日2022-09-07
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
7W6Y
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BU of 7w6y by Molmil
Crystal structure of Kangiella koreensis RseP orthologue in complex with batimastat in space group P1
分子名称: 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, Anti sigma-E protein, RseA, ...
著者Imaizumi, Y, Takanuki, K, Nogi, T.
登録日2021-12-02
公開日2022-09-07
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
6IU9
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Crystal structure of cytoplasmic metal binding domain with iron ions
分子名称: FE (II) ION, VIT1, ZINC ION
著者Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O.
登録日2018-11-27
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of plant vacuolar iron transporter VIT1.
Nat Plants, 5, 2019

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