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6XFN
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Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243
分子名称: 3C-like proteinase, GLYCEROL, UAW243
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-06-15
公開日2020-06-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
6XFU
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BU of 6xfu by Molmil
PmtCD peptide exporter basket domain
分子名称: ABC transporter ATP-binding protein, THIOCYANATE ION
著者Zeytuni, N, Strynadka, N.C.J, Alexander, J.A.N.
登録日2020-06-16
公開日2020-10-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural insight into the Staphylococcus aureus ATP-driven exporter of virulent peptide toxins
Sci Adv, 6, 2020
7ZCR
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Nitrite-bound MSOX movie series dataset 38 (30.4 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - water ligand
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
著者Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S.
登録日2022-03-28
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
4PS4
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BU of 4ps4 by Molmil
Crystal structure of the complex between IL-13 and M1295 FAB
分子名称: Interleukin-13, M1295 HEAVY CHAIN, M1295 LIGHT CHAIN
著者Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
登録日2014-03-06
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Human Framework Adaptation of a Mouse Anti-Human Il-13 Antibody.
J.Mol.Biol., 398, 2010
7ZCO
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BU of 7zco by Molmil
Nitrite-bound MSOX movie series dataset 8 (6.4 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - nitrite/NO intermediate
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
著者Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S.
登録日2022-03-28
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
7YP6
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BU of 7yp6 by Molmil
Crystal structure of elaiophylin glycosyltransferase in complex with UDP
分子名称: Glycosyltransferase, R-1,2-PROPANEDIOL, URIDINE-5'-DIPHOSPHATE
著者Xu, T, Liu, Q, Gan, Q, Liu, J.
登録日2022-08-02
公開日2022-11-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Substrate-induced dimerization of elaiophylin glycosyltransferase reveals a novel self-activating form of glycosyltransferase for symmetric glycosylation.
Acta Crystallogr D Struct Biol, 78, 2022
7ZCQ
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BU of 7zcq by Molmil
Nitrite-bound MSOX movie series dataset 25 (20 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - NO/water intermediate
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
著者Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S.
登録日2022-03-28
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
6XBI
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BU of 6xbi by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-06-06
公開日2020-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
7ZCN
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BU of 7zcn by Molmil
Nitrite-bound MSOX movie series dataset 1 (0.8 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - nitrite (start)
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
著者Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S.
登録日2022-03-28
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
7YWU
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BU of 7ywu by Molmil
Eugenol oxidase from rhodococcus jostii: mutant S81H, A423M, H434Y, S394V, I445D, S518P
分子名称: 2-methoxy-4-(prop-2-en-1-yl)phenol, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Alvigini, L, Mattevi, A.
登録日2022-02-14
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure- and computational-aided engineering of an oxidase to produce isoeugenol from a lignin-derived compound.
Nat Commun, 13, 2022
7ZEI
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BU of 7zei by Molmil
Thermostable GH159 glycoside hydrolase from Caldicellulosiruptor at 1.7 A
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Baudrexl, M, Fida, T, Berk, B, Schwarz, W, Zverlov, V.V, Groll, M, Liebl, W.
登録日2022-03-31
公開日2022-08-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Biochemical and Structural Characterization of Thermostable GH159 Glycoside Hydrolases Exhibiting alpha-L-Arabinofuranosidase Activity.
Front Mol Biosci, 9, 2022
6XJ9
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BU of 6xj9 by Molmil
Structure of PfGH50B
分子名称: 1,2-ETHANEDIOL, Agarase
著者Pluvinage, B, Boraston, A.B.
登録日2020-06-23
公開日2020-09-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of PfGH50B, an agarase from the marine bacterium Pseudoalteromonas fuliginea PS47
Acta Crystallogr.,Sect.F, 76, 2020
7YP5
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BU of 7yp5 by Molmil
Crystal structure of elaiophylin glycosyltransferase in complex with TDP
分子名称: CHLORIDE ION, Glycosyltransferase, R-1,2-PROPANEDIOL, ...
著者Xu, T, Liu, Q, Gan, Q, Liu, J.
登録日2022-08-02
公開日2022-11-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Substrate-induced dimerization of elaiophylin glycosyltransferase reveals a novel self-activating form of glycosyltransferase for symmetric glycosylation.
Acta Crystallogr D Struct Biol, 78, 2022
7YZA
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BU of 7yza by Molmil
Crystal structure of the zebrafish FoxH1 bound to the TGTGTATT site
分子名称: DNA (5'-D(*AP*GP*AP*TP*TP*GP*TP*GP*TP*AP*TP*TP*GP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*CP*AP*AP*TP*AP*CP*AP*CP*AP*AP*TP*CP*T)-3'), Forkhead box protein H1, ...
著者Pluta, R, Macias, M.J.
登録日2022-02-19
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1.
Nat Commun, 13, 2022
7YP4
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BU of 7yp4 by Molmil
Crystal structure of elaiophylin glycosyltransferase in apo-form
分子名称: Glycosyltransferase, R-1,2-PROPANEDIOL
著者Xu, T, Liu, Q, Gan, Q, Liu, J.
登録日2022-08-02
公開日2022-11-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Substrate-induced dimerization of elaiophylin glycosyltransferase reveals a novel self-activating form of glycosyltransferase for symmetric glycosylation.
Acta Crystallogr D Struct Biol, 78, 2022
7Z9E
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BU of 7z9e by Molmil
Deinococcus radiodurans BphP PAS-GAF H260A/Y263F mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ...
著者Takala, H.
登録日2022-03-21
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Conserved histidine and tyrosine determine spectral responses through the water network in Deinococcus radiodurans phytochrome.
Photochem Photobiol Sci, 21, 2022
7V7M
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BU of 7v7m by Molmil
crystal structure of SARS-CoV-2 3CL protease
分子名称: 3C-like proteinase
著者Yi, Y, Zhang, M, Ye, M.
登録日2021-08-21
公開日2022-06-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Schaftoside inhibits 3CL pro and PL pro of SARS-CoV-2 virus and regulates immune response and inflammation of host cells for the treatment of COVID-19.
Acta Pharm Sin B, 12, 2022
6X9X
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BU of 6x9x by Molmil
Crystal structure of Fab fragment of Anti-HCV E2 antibody (HC84.26)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, HC84.26 Fab Heavy Chain, ...
著者Shahid, S, Mariuzza, R.A.
登録日2020-06-03
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of a Bivalent Antibody Fab Fragment.
J.Mol.Biol., 433, 2020
6XBH
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BU of 6xbh by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247
分子名称: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-06-06
公開日2020-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
6XBM
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BU of 6xbm by Molmil
Structure of human SMO-Gi complex with 24(S),25-EC
分子名称: 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC LOPENTA[A]PHENANTHREN-3-OL, 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Qi, X, Long, T, Li, X.
登録日2020-06-06
公開日2020-09-30
最終更新日2020-11-25
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Sterols in an intramolecular channel of Smoothened mediate Hedgehog signaling.
Nat.Chem.Biol., 16, 2020
6XD8
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BU of 6xd8 by Molmil
Crystal Structure of Peptidylprolyl Isomerase (PrsA) Fragment from Bacillus anthracis
分子名称: Foldase protein PrsA 1
著者Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-06-10
公開日2020-07-01
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Crystal Structure of Peptidylprolyl Isomerase (PrsA) Fragment from Bacillus anthracis
To Be Published
7VQF
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BU of 7vqf by Molmil
Phenol binding protein, MopR
分子名称: ACETATE ION, PHENOL, Phenol sensing regulator, ...
著者Singh, J, Ray, S, Anand, R.
登録日2021-10-19
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Phenol sensing in nature is modulated via a conformational switch governed by dynamic allostery.
J.Biol.Chem., 298, 2022
7VDN
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BU of 7vdn by Molmil
High resolution crystal structure of Sperm Whale Myoglobin in the carbonmonoxy form
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Shibayama, N, Sato-Tomita, A, Ishimoto, N, Park, S.Y.
登録日2021-09-07
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献X-ray fluorescence holography of biological metal sites: Application to myoglobin.
Biochem.Biophys.Res.Commun., 635, 2022
4QDW
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BU of 4qdw by Molmil
Joint X-ray and neutron structure of Streptomyces rubiginosus D-xylose isomerase in complex with two Ni2+ ions and linear L-arabinose
分子名称: L-arabinose, NICKEL (II) ION, Xylose isomerase
著者Kovalevsky, A.Y, Langan, P.
登録日2014-05-14
公開日2014-09-03
最終更新日2024-02-28
実験手法NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
主引用文献L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
7VWN
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BU of 7vwn by Molmil
The structure of an engineered PET hydrolase
分子名称: CHLORIDE ION, Poly(ethylene terephthalate) hydrolase
著者Xie, W, Jia, Q.
登録日2021-11-11
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献An engineered PET hydrolase for biodegradation of microplastics in ocean water
To Be Published

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件を2024-08-21に公開中

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