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7B1S
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Crystal structure of the ethyl-coenzyme M reductase from Candidatus Ethanoperedens thermophilum at 0.994-A resolution
分子名称: (2S)-2-{[(2S)-2-{[(2S)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 1-THIOETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Wagner, T, Lemaire, O.N, Engilberge, S.
登録日2020-11-25
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.992 Å)
主引用文献Crystal structure of a key enzyme for anaerobic ethane activation.
Science, 373, 2021
7B2C
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Crystal structure of the ethyl-coenzyme M reductase from Candidatus Ethanoperedens thermophilum gassed with xenon
分子名称: (2R)-2-[(2S)-2-[(2S)-2-oxidanylpropoxy]propoxy]propan-1-ol, 1-THIOETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Wagner, T, Lemaire, O.N, Engilberge, S.
登録日2020-11-26
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a key enzyme for anaerobic ethane activation.
Science, 373, 2021
7WEA
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SARS-CoV-2 Omicron variant spike protein in complex with two XGv347 binding to one close state RBD and one open state RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Wang, X, Wang, L.
登録日2021-12-23
公開日2022-05-04
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
4O3F
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Crystal Structure of mouse PGK1 3PG and terazosin(TZN) ternary complex
分子名称: 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone
著者Li, X.L, Finci, I.L, Wang, J.H.
登録日2013-12-18
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.106 Å)
主引用文献Terazosin activates Pgk1 and Hsp90 to promote stress resistance.
Nat.Chem.Biol., 11, 2015
7AV7
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Crystal structure of S-nitrosylated nitrosoglutathione reductase(GSNOR)from Chlamydomonas reinhardtii, in complex with NAD+
分子名称: CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, S-(hydroxymethyl)glutathione dehydrogenase, ...
著者Fermani, S, Zaffagnini, M, Falini, G, Lemaire, S.D.
登録日2020-11-04
公開日2020-12-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and functional insights into nitrosoglutathione reductase from Chlamydomonas reinhardtii.
Redox Biol, 38, 2020
4OD0
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Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
分子名称: 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
著者Lee, K.S.S, Liu, J, Wagner, K.M, Pakhomova, S, Dong, H, Morisseau, C, Fu, S.H, Yang, J, Wang, P, Ulu, A, Mate, C, Nguyen, L, Wullf, H, Eldin, M.L, Mara, A.A, Newcomer, M.E, Zeldin, D.C, Hammock, B.D.
登録日2014-01-09
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy.
J.Med.Chem., 57, 2014
7XRQ
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The Catalytic Core Structure of Cystathionine beta-Synthase from Candida albicans
分子名称: Cystathionine beta-synthase, PHOSPHATE ION
著者Lou, H.X, Yu, H.N, Chang, W.Q.
登録日2022-05-11
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Inhibition of fungal pathogenicity by targeting the H 2 S-synthesizing enzyme cystathionine beta-synthase.
Sci Adv, 8, 2022
6VJO
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Human parainfluenza virus type 3 fusion glycoprotein N-terminal heptad repeat domain+alpha/beta-VI
分子名称: Fusion glycoprotein F0
著者Outlaw, V.K, Kreitler, D.F, Gellman, S.H.
登録日2020-01-16
公開日2021-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineering Protease-Resistant Peptides to Inhibit Human Parainfluenza Viral Respiratory Infection.
J.Am.Chem.Soc., 143, 2021
6VTP
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Crystal structure of G16C human Galectin-7 mutant
分子名称: GLYCEROL, Galectin-7
著者Pham, N.T.H, Calmettes, C, Doucet, N.
登録日2020-02-13
公開日2021-08-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Perturbing dimer interactions and allosteric communication modulates the immunosuppressive activity of human galectin-7.
J.Biol.Chem., 297, 2021
6VTS
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Crystal structure of G16S human Galectin-7 mutant in complex with lactose
分子名称: GLYCEROL, Galectin-7, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Pham, N.T.H, Calmettes, C, Doucet, N.
登録日2020-02-13
公開日2021-08-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Perturbing dimer interactions and allosteric communication modulates the immunosuppressive activity of human galectin-7.
J.Biol.Chem., 297, 2021
6VTQ
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Crystal structure of G16C human Galectin-7 mutant in complex with lactose
分子名称: GLYCEROL, Galectin-7, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Pham, N.T.H, Calmettes, C, Doucet, N.
登録日2020-02-13
公開日2021-08-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Perturbing dimer interactions and allosteric communication modulates the immunosuppressive activity of human galectin-7.
J.Biol.Chem., 297, 2021
6VTR
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Crystal structure of G16S human Galectin-7 mutant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Galectin-7
著者Pham, N.T.H, Calmettes, C, Doucet, N.
登録日2020-02-13
公開日2021-08-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Perturbing dimer interactions and allosteric communication modulates the immunosuppressive activity of human galectin-7.
J.Biol.Chem., 297, 2021
6VTO
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Crystal structure of human Galectin-7 in complex with 4-O-beta-D-Galactopyranosyl-D-glucose
分子名称: (2~{R},3~{R},4~{R},5~{R})-4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5, 6-tetrakis(oxidanyl)hexanal, Galectin-7
著者Pham, N.T.H, Calmettes, C, Doucet, N.
登録日2020-02-13
公開日2021-08-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Perturbing dimer interactions and allosteric communication modulates the immunosuppressive activity of human galectin-7.
J.Biol.Chem., 297, 2021
6VPN
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BU of 6vpn by Molmil
Solution structure of antifungal plant defensin PvD1
分子名称: Knot1 domain-containing protein
著者Harvey, P.J.
登録日2020-02-03
公開日2020-08-26
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Synthesis, Structure, and Activity of the Antifungal Plant DefensinPvD1.
J.Med.Chem., 63, 2020
5ZNI
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BU of 5zni by Molmil
Plasmodium falciparum purine nucleoside phosphorylase in complex with mefloquine
分子名称: Mefloquine, PHOSPHATE ION, Purine nucleoside phosphorylase
著者Chen, D, Nordlund, P, Dziekan, J.M.
登録日2018-04-09
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identifying purine nucleoside phosphorylase as the target of quinine using cellular thermal shift assay.
Sci Transl Med, 11, 2019
5ZSL
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BU of 5zsl by Molmil
Crystal structure of monkey TLR7 in complex with GGUUGG
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-9-[(2S,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6H-purin-6-one, ...
著者Zhang, Z, Ohto, U, Shimizu, T.
登録日2018-04-28
公開日2019-01-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands.
Cell Rep, 25, 2018
5ZSH
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Crystal structure of monkey TLR7 in complex with CL075
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine, ...
著者Zhang, Z, Ohto, U, Shimizu, T.
登録日2018-04-28
公開日2019-01-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands.
Cell Rep, 25, 2018
6COH
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BU of 6coh by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with benzaldehyde, MANDELIC ACID NITRILE
分子名称: (2R)-hydroxy(phenyl)ethanenitrile, Alpha-hydroxynitrile lyase, GLYCEROL, ...
著者Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
登録日2018-03-12
公開日2019-03-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.367 Å)
主引用文献AtHNL enantioselectivity mutants
To be published
7W6W
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BU of 7w6w by Molmil
Crystal structure of a mutant Staphylococcus equorum manganese superoxide dismutase L169W
分子名称: AZIDE ION, MANGANESE (II) ION, Superoxide dismutase
著者Retnoningrum, D.S, Yoshida, H, Artarini, A.A, Ismaya, W.T.
登録日2021-12-02
公開日2022-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Introducing Intermolecular Interaction to Strengthen the Stability of MnSOD Dimer.
Appl.Biochem.Biotechnol., 195, 2023
4OK5
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Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 9 [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid]
分子名称: CALCIUM ION, Serine protease NS3, [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
7CX4
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Cryo-EM structure of the Evatanepag-bound EP2-Gs complex
分子名称: 2-[3-[[(4-~{tert}-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid, 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Qu, C, Mao, C, Xiao, P, Shen, Q, Zhong, Y, Yang, F, Shen, D, Tao, X, Zhang, H, Yan, X, Zhao, R, He, J, Guan, Y, Zhang, C, Hou, G, Zhang, P, Yu, X, Guan, Y, Sun, J, Zhang, Y.
登録日2020-09-01
公開日2021-05-05
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Ligand recognition, unconventional activation, and G protein coupling of the prostaglandin E 2 receptor EP2 subtype.
Sci Adv, 7, 2021
7CX3
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Cryo-EM structure of the Taprenepag-bound EP2-Gs complex
分子名称: 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid, 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Qu, C, Mao, C, Xiao, P, Shen, Q, Zhong, Y, Yang, F, Shen, D, Tao, X, Zhang, H, Yan, X, Zhao, R, He, J, Guan, Y, Zhang, C, Hou, G, Zhang, P, Yu, X, Guan, Y, Sun, J, Zhang, Y.
登録日2020-09-01
公開日2021-05-05
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Ligand recognition, unconventional activation, and G protein coupling of the prostaglandin E 2 receptor EP2 subtype.
Sci Adv, 7, 2021
6XB0
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Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-CoV-2 3CL Mpro is highly reactive: Insights for enzyme mechanism and drug design
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE
著者Kneller, D.W, Kovalevsky, A, Coates, L.
登録日2020-06-05
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design.
Iucrj, 7, 2020
7CX2
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Cryo-EM structure of the PGE2-bound EP2-Gs complex
分子名称: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, 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Qu, C, Mao, C, Xiao, P, Shen, Q, Zhong, Y, Yang, F, Shen, D, Tao, X, Zhang, H, Yan, X, Zhao, R, He, J, Guan, Y, Zhang, C, Hou, G, Zhang, P, Yu, X, Guan, Y, Sun, J, Zhang, Y.
登録日2020-09-01
公開日2021-05-05
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Ligand recognition, unconventional activation, and G protein coupling of the prostaglandin E 2 receptor EP2 subtype.
Sci Adv, 7, 2021
7CM9
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DMSP lyase DddX
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DMSP lyase, SULFATE ION
著者Li, C.Y, Zhang, Y.Z.
登録日2020-07-25
公開日2021-05-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.249 Å)
主引用文献A novel ATP dependent dimethylsulfoniopropionate lyase in bacteria that releases dimethyl sulfide and acryloyl-CoA.
Elife, 10, 2021

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