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PDB: 537 results

6M55
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BU of 6m55 by Molmil
Crystal structure of the E496A mutant of HsBglA in complex with 4-galactosyllactose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase-like enzyme, ...
Authors:Uehara, R, Iwamoto, R, Aoki, S, Yoshizawa, T, Takano, K, Matsumura, H, Tanaka, S.-i.
Deposit date:2020-03-10
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of a GH1 beta-glucosidase from Hamamotoa singularis.
Protein Sci., 29, 2020
1IXF
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BU of 1ixf by Molmil
Crystal Structure of the K intermediate of bacteriorhodopsin
Descriptor: 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE, 2,3-DI-PHYTANYL-GLYCEROL, RETINAL, ...
Authors:Matsui, Y, Sakai, K, Murakami, M, Shiro, Y, Adachi, S, Okumura, H, Kouyama, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2002-06-20
Release date:2002-12-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Specific Damage Induced by X-ray Radiation and Structural Changes in the Primary Photoreaction of Bacteriorhodopsin
J.MOL.BIOL., 324, 2002
6LP1
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BU of 6lp1 by Molmil
Crystal structure of acetate:succinate CoA transferase (ASCT) from Trypanosoma brucei.
Descriptor: CALCIUM ION, GLYCEROL, Succinyl-CoA:3-ketoacid-coenzyme A transferase
Authors:Mochizuki, K, Inaoka, D.K, Shiba, T, Fukuda, K, Kurasawa, H, Mazet, M, Millerioux, Y, Bringaud, F, Boshart, M, Balogun, E.O, Harada, S, Hirayama, K, Kita, K.
Deposit date:2020-01-08
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The ASCT/SCS cycle fuels mitochondrial ATP and acetate production in Trypanosoma brucei.
Biochim Biophys Acta Bioenerg, 1861, 2020
3VND
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BU of 3vnd by Molmil
Crystal structure of tryptophan synthase alpha-subunit from the psychrophile Shewanella frigidimarina K14-2
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, SULFATE ION, Tryptophan synthase alpha chain
Authors:Mitsuya, D, Tanaka, S, Matsumura, H, Takano, K, Urano, N, Ishida, M.
Deposit date:2012-01-12
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Strategy for cold adaptation of the tryptophan synthase alpha subunit from the psychrophile Shewanella frigidimarina K14-2: crystal structure and physicochemical properties
J.Biochem., 155, 2014
8UH8
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BU of 8uh8 by Molmil
Crystal structure of SARS-CoV-2 main protease E166V (Apo structure)
Descriptor: ORF1a polyprotein
Authors:Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2023-10-07
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir
To Be Published
8UH5
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BU of 8uh5 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-272
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER
Authors:Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2023-10-06
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir
To Be Published
8UH9
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BU of 8uh9 by Molmil
Crystal structure of SARS-CoV-2 main protease E166V mutant in complex with an inhibitor TKB-272
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER
Authors:Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2023-10-07
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.067 Å)
Cite:TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir
To Be Published
1MSF
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BU of 1msf by Molmil
SOLUTION STRUCTURE OF A SPECIFIC DNA COMPLEX OF THE MYB DNA-BINDING DOMAIN WITH COOPERATIVE RECOGNITION HELICES
Descriptor: C-Myb DNA-Binding Domain, DNA (5'-D(*AP*TP*GP*TP*GP*TP*GP*TP*CP*AP*GP*TP*TP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*AP*AP*CP*TP*GP*AP*CP*AP*CP*AP*CP*AP*T)-3')
Authors:Ogata, K, Morikawa, S, Nakamura, H, Sekikawa, A, Inoue, T, Kanai, H, Sarai, A, Ishii, S, Nishimura, Y.
Deposit date:1995-01-24
Release date:1995-03-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a specific DNA complex of the Myb DNA-binding domain with cooperative recognition helices.
Cell(Cambridge,Mass.), 79, 1994
7Y8Q
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BU of 7y8q by Molmil
Amyloid-beta assemblage on GM1-containing membranes
Descriptor: Amyloid-beta protein 40
Authors:Yagi-Utsumi, M, Itoh, S.G, Okumura, H, Yanagisawa, K, Kato, K, Nishimura, K.
Deposit date:2022-06-24
Release date:2023-07-05
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:The Double-Layered Structure of Amyloid-beta Assemblage on GM1-Containing Membranes Catalytically Promotes Fibrillization.
Acs Chem Neurosci, 14, 2023
5XSO
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BU of 5xso by Molmil
Crystal structure of full-length FixJ from B. japonicum crystallized in space group C2221
Descriptor: FORMIC ACID, GLYCEROL, Response regulator FixJ
Authors: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.
Deposit date:2017-06-14
Release date:2018-05-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.778 Å)
Cite: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
Descriptor: FORMIC ACID, GLYCEROL, MAGNESIUM ION, ...
Authors: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.
Deposit date:2017-06-16
Release date:2018-05-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.652 Å)
Cite:Architecture of the complete oxygen-sensing FixL-FixJ two-component signal transduction system.
Sci Signal, 11, 2018
6M4F
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BU of 6m4f by Molmil
Crystal structure of the E496A mutant of HsBglA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase-like enzyme, ...
Authors:Uehara, R, Iwamoto, R, Aoki, S, Yoshizawa, T, Takano, K, Matsumura, H, Tanaka, S.-i.
Deposit date:2020-03-06
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a GH1 beta-glucosidase from Hamamotoa singularis.
Protein Sci., 29, 2020
7YQA
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BU of 7yqa by Molmil
Crystal structure of D-threonine aldolase from Chlamydomonas reinhardtii
Descriptor: D-threonine aldolase, MAGNESIUM ION
Authors:Hirato, Y, Goto, M, Mizobuchi, T, Muramatsu, H, Tanigawa, M, Nishimura, K.
Deposit date:2022-08-05
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of pyridoxal 5'-phosphate-bound D-threonine aldolase from Chlamydomonas reinhardtii.
Acta Crystallogr.,Sect.F, 79, 2023
3A0R
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BU of 3a0r by Molmil
Crystal structure of histidine kinase ThkA (TM1359) in complex with response regulator protein TrrA (TM1360)
Descriptor: MERCURY (II) ION, Response regulator, Sensor protein
Authors:Yamada, S, Sugimoto, H, Kobayashi, M, Ohno, A, Nakamura, H, Shiro, Y.
Deposit date:2009-03-24
Release date:2009-10-20
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structure of PAS-linked histidine kinase and the response regulator complex
Structure, 17, 2009
8FMV
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BU of 8fmv by Molmil
Heterodimeric ABC transporter BmrCD in the inward-facing conformation bound to substrate and ATP: BmrCD_IF-2HT/ATP
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Tang, Q, Mchaourab, H.
Deposit date:2022-12-24
Release date:2023-11-15
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Asymmetric conformations and lipid interactions shape the ATP-coupled cycle of a heterodimeric ABC transporter.
Nat Commun, 14, 2023
8FHK
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BU of 8fhk by Molmil
Heterodimeric ABC transporter BmrCD in the occluded conformation bound to ATP: BmrCD_OC-ATP
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Tang, Q, Mchaourab, H.
Deposit date:2022-12-14
Release date:2023-11-15
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Asymmetric conformations and lipid interactions shape the ATP-coupled cycle of a heterodimeric ABC transporter.
Nat Commun, 14, 2023
5AZ2
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BU of 5az2 by Molmil
Crystal structure of the Fab fragment of 9E5, a murine monoclonal antibody specific for human epiregulin
Descriptor: anti-human epiregulin antibody 9E5 Fab heavy chain, anti-human epiregulin antibody 9E5 Fab light chain
Authors:Kado, Y, Mizohata, E, Nagatoishi, S, Iijima, M, Shinoda, K, Miyafusa, T, Nakayama, T, Yoshizumi, T, Sugiyama, A, Kawamura, T, Lee, Y.H, Matsumura, H, Doi, H, Fujitani, H, Kodama, T, Shibasaki, Y, Tsumoto, K, Inoue, T.
Deposit date:2015-09-16
Release date:2015-12-09
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:Epiregulin Recognition Mechanisms by Anti-epiregulin Antibody 9E5: STRUCTURAL, FUNCTIONAL, AND MOLECULAR DYNAMICS SIMULATION ANALYSES
J.Biol.Chem., 291, 2016
4O6S
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BU of 4o6s by Molmil
1.32A resolution structure of the hemophore HasA from Pseudomonas aeruginosa (H83A mutant, Zinc Bound)
Descriptor: 1,2-ETHANEDIOL, HasAp, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Lovell, S, Kumar, R, Battaile, K.P, Matsumura, H, Yao, H, Rodriguez, J.C, Moenne-Loccoz, P, Rivera, M.
Deposit date:2013-12-23
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Replacing the Axial Ligand Tyrosine 75 or Its Hydrogen Bond Partner Histidine 83 Minimally Affects Hemin Acquisition by the Hemophore HasAp from Pseudomonas aeruginosa.
Biochemistry, 53, 2014
8DPR
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BU of 8dpr by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with inhibitor TKB-248
Descriptor: 2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
Authors:Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2022-07-16
Release date:2022-08-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2.
Nat Commun, 14, 2023
8DOY
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BU of 8doy by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-198
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C-like proteinase nsp5, ...
Authors:Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2022-07-14
Release date:2022-08-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Potent and biostable inhibitors of the main protease of SARS-CoV-2.
Iscience, 25, 2022
8DOX
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BU of 8dox by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-245
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2022-07-14
Release date:2022-09-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2.
Nat Commun, 14, 2023
5B37
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BU of 5b37 by Molmil
Crystal structure of L-tryptophan dehydrogenase from Nostoc punctiforme
Descriptor: Tryptophan dehydrogenase
Authors:Wakamatsu, T, Sakuraba, H, Kitamura, M, Hakumai, Y, Ohnishi, K, Ashiuchi, M, Ohshima, T.
Deposit date:2016-02-11
Release date:2016-11-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural Insights into l-Tryptophan Dehydrogenase from a Photoautotrophic Cyanobacterium, Nostoc punctiforme.
Appl. Environ. Microbiol., 83, 2017
5B56
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BU of 5b56 by Molmil
Crystal structure of HIV-1 VPR C-Terminal domain and DIBB-M-Importin-Alpha2 complex
Descriptor: Importin subunit alpha-1, Protein Vpr
Authors:Miyatake, H, Sanjoh, A, Matusda, G, Murakami, T, Murakami, H, Hagiwara, K, Yokoyama, M, Sato, H, Miyamoto, Y, Dohmae, N, Aida, Y.
Deposit date:2016-04-25
Release date:2016-06-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Mechanism of HIV-1 Vpr for Binding to Importin-alpha
J.Mol.Biol., 428, 2016
1GOB
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BU of 1gob by Molmil
COOPERATIVE STABILIZATION OF ESCHERICHIA COLI RIBONUCLEASE HI BY INSERTION OF GLY-80B AND GLY-77-> ALA SUBSTITUTION
Descriptor: RIBONUCLEASE H
Authors:Ishikawa, K, Kimura, S, Nakamura, H, Morikawa, K, Kanaya, S.
Deposit date:1993-05-10
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cooperative stabilization of Escherichia coli ribonuclease HI by insertion of Gly-80b and Gly-77-->Ala substitution.
Biochemistry, 32, 1993
1PRU
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BU of 1pru by Molmil
PURINE REPRESSOR DNA-BINDING DOMAIN DNA BINDING
Descriptor: PURINE REPRESSOR
Authors:Nagadoi, A, Morikawa, S, Nakamura, H, Enari, M, Kobayashi, K, Yamamoto, H, Sampei, G, Mizobuchi, K, Schumacher, M.A, Brennan, R.G, Nishimura, Y.
Deposit date:1995-05-08
Release date:1996-03-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural comparison of the free and DNA-bound forms of the purine repressor DNA-binding domain.
Structure, 3, 1995

224572

数据于2024-09-04公开中

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