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5LAC
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SeMet Labeled Derivative of Cavally Virus 3CL Protease
分子名称: 3Cl Protease, GLYCEROL
著者Kanitz, M, Heine, A, Diederich, W.E.
登録日2016-06-14
公開日2017-07-12
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural basis for catalysis and substrate specificity of a 3C-like cysteine protease from a mosquito mesonivirus.
Virology, 533, 2019
5LAK
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Ligand-bound structure of Cavally Virus 3CL Protease
分子名称: 3Cl Protease, BEZ-TYR-TYR-ASN-ECC Peptide inhibitor, PENTAETHYLENE GLYCOL, ...
著者Kanitz, M, Heine, A, Diederich, W.E.
登録日2016-06-14
公開日2017-07-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Structural basis for catalysis and substrate specificity of a 3C-like cysteine protease from a mosquito mesonivirus.
Virology, 533, 2019
7RC0
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BU of 7rc0 by Molmil
X-ray Structure of SARS-CoV-2 main protease covalently modified by compound GRL-091-20
分子名称: 3C-like proteinase, 5-chloro-4-methylpyridin-3-yl 1H-indole-4-carboxylate, SODIUM ION
著者Mesecar, A.D, Anson, B.A, Ghosh, A.K, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-06
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies.
J.Med.Chem., 64, 2021
7RC1
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BU of 7rc1 by Molmil
X-ray Structure of SARS-CoV main protease covalently modified by compound GRL-0686
分子名称: 3C-like proteinase, 5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1H-indole-5-carboxylate, DIMETHYL SULFOXIDE
著者Mesecar, A.D, Anson, B.A, Ghosh, A.K, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-07
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies.
J.Med.Chem., 64, 2021
5JD5
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BU of 5jd5 by Molmil
Crystal structure of MGS-MilE3, an alpha/beta hydrolase enzyme from the metagenome of pyrene-phenanthrene enrichment culture with sediment sample of Milazzo Harbor, Italy
分子名称: CHLORIDE ION, MGS-MilE3
著者Stogios, P.J, Xu, X, Cui, H, Martinez-Martinez, M, Chernikova, T.N, Golyshin, P.N, Yakimov, M.M, Ferrer, M, Savchenko, A.
登録日2016-04-15
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of MGS-MilE3, an alpha/beta hydrolase enzyme from the metagenome of pyrene-phenanthrene enrichment culture with sediment sample of Milazzo Harbor, Italy
To Be Published
7RBZ
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BU of 7rbz by Molmil
X-ray Structure of SARS-CoV-2 main protease covalently modified by compound GRL-017-20
分子名称: 3C-like proteinase, 5-chloropyridin-3-yl 2,3-dihydro-1H-indole-4-carboxylate
著者Mesecar, A.D, Anson, B.A, Ghosh, A.K, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-06
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies.
J.Med.Chem., 64, 2021
5H23
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BU of 5h23 by Molmil
Crystal structure of Chikungunya virus capsid protein
分子名称: 1,2-ETHANEDIOL, Capsid Protein, DI(HYDROXYETHYL)ETHER, ...
著者Sharma, R, Kesari, P, Tomar, S, Kumar, P.
登録日2016-10-14
公開日2018-03-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-function insights into chikungunya virus capsid protein: Small molecules targeting capsid hydrophobic pocket.
Virology, 515, 2018
5IEG
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BU of 5ieg by Molmil
Murine endoplasmic reticulum alpha-glucosidase II with N-9'-methoxynonyl-1-deoxynojirimycin.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N.
登録日2016-02-25
公開日2016-07-27
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.822 Å)
主引用文献Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
8CB1
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BU of 8cb1 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with N-PNT-DNM 15
分子名称: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-(phenanthren-9-ylmethoxy)pentyl]piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sulzenbacher, G, Roig-Zamboni, V, Overkleeft, H, Artola, M.
登録日2023-01-25
公開日2023-09-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases.
Chem Sci, 14, 2023
8CB6
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BU of 8cb6 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in covalent complex with TAMRA tagged 1,6-Epi-cylcophellitol aziridine activity based probe
分子名称: (1S,2R,3R,4R,5R)-5-[8-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]octylamino]-4-(hydroxymethyl)cyclohexane-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sulzenbacher, G, Roig-Zamboni, V, Overkleeft, H, Artola, M.
登録日2023-01-25
公開日2023-09-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases.
Chem Sci, 14, 2023
1P3E
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BU of 1p3e by Molmil
Structure of Glu endopeptidase in complex with MPD
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, glutamyl-endopeptidase
著者Meijers, R, Blagova, E.V, Levdikov, V.M, Rudenskaya, G.N, Chestukhina, G.G, Akimkina, T.V, Kostrov, S.V, Lamzin, V.S, Kuranova, I.P.
登録日2003-04-17
公開日2004-04-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献The crystal structure of glutamyl endopeptidase from Bacillus intermedius reveals a structural link between zymogen activation and charge compensation.
Biochemistry, 43, 2004
4R67
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BU of 4r67 by Molmil
Human constitutive 20S proteasome in complex with carfilzomib
分子名称: N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
著者Sacchettini, J.C, Harshbarger, W.H.
登録日2014-08-22
公開日2015-02-11
最終更新日2015-02-18
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Crystal Structure of the Human 20S Proteasome in Complex with Carfilzomib.
Structure, 23, 2015
4R3O
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BU of 4r3o by Molmil
Human Constitutive 20S Proteasome
分子名称: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
著者Sacchettini, J.C, Harshbarger, W.H.
登録日2014-08-16
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of the Human 20S Proteasome in Complex with Carfilzomib.
Structure, 23, 2015
6LF5
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BU of 6lf5 by Molmil
The solution structure of ShSPI
分子名称: ShSPI
著者Luan, N, Rong, M.Q, Liu, J.X, Lai, R.
登録日2019-11-29
公開日2020-12-02
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Identification and Characterization of ShSPI, a Kazal-Type Elastase Inhibitor from the Venom of Scolopendra Hainanum .
Toxins, 11, 2019
7DKD
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BU of 7dkd by Molmil
Stenotrophomonas maltophilia DPP7 in complex with Asn-Tyr
分子名称: ASPARAGINE, Dipeptidyl-peptidase, GLYCEROL, ...
著者Sakamoto, Y, Nakamura, A, Suzuki, Y, Honma, N, Roppongi, S, Kushibiki, C, Yonezawa, N, Takahashi, M, Shida, Y, Gouda, H, Nonaka, T, Ogasawara, W, Tanaka, N.
登録日2020-11-23
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural basis for an exceptionally strong preference for asparagine residue at the S2 subsite of Stenotrophomonas maltophilia dipeptidyl peptidase 7.
Sci Rep, 11, 2021
7DKC
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BU of 7dkc by Molmil
Stenotrophomonas maltophilia DPP7 in complex with Tyr-Tyr
分子名称: Dipeptidyl-peptidase, GLYCEROL, TYROSINE
著者Sakamoto, Y, Nakamura, A, Suzuki, Y, Honma, N, Roppongi, S, Kushibiki, C, Yonezawa, N, Takahashi, M, Shida, Y, Gouda, H, Nonaka, T, Ogasawara, W, Tanaka, N.
登録日2020-11-23
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural basis for an exceptionally strong preference for asparagine residue at the S2 subsite of Stenotrophomonas maltophilia dipeptidyl peptidase 7.
Sci Rep, 11, 2021
7DKE
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Stenotrophomonas maltophilia DPP7 in complex with Phe-Tyr
分子名称: Dipeptidyl-peptidase, GLYCEROL, PHENYLALANINE, ...
著者Sakamoto, Y, Nakamura, A, Suzuki, Y, Honma, N, Roppongi, S, Kushibiki, C, Yonezawa, N, Takahashi, M, Shida, Y, Gouda, H, Nonaka, T, Ogasawara, W, Tanaka, N.
登録日2020-11-23
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural basis for an exceptionally strong preference for asparagine residue at the S2 subsite of Stenotrophomonas maltophilia dipeptidyl peptidase 7.
Sci Rep, 11, 2021
7DKB
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BU of 7dkb by Molmil
Stenotrophomonas maltophilia DPP7 in complex with Val-Tyr
分子名称: Dipeptidyl-peptidase, TYROSINE, VALINE
著者Sakamoto, Y, Nakamura, A, Suzuki, Y, Honma, N, Roppongi, S, Kushibiki, C, Yonezawa, N, Takahashi, M, Shida, Y, Gouda, H, Nonaka, T, Ogasawara, W, Tanaka, N.
登録日2020-11-23
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural basis for an exceptionally strong preference for asparagine residue at the S2 subsite of Stenotrophomonas maltophilia dipeptidyl peptidase 7.
Sci Rep, 11, 2021
7O85
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Anthrax toxin prepore in complex with the neutralizing Fab cAb29
分子名称: CALCIUM ION, Fab, Protective antigen PA-63
著者Hoelzgen, F, Zalk, R, Alcalay, R, Cohen-Schwartz, S, Garau, G, Shahar, A, Mazor, O, Frank, G.A.
登録日2021-04-14
公開日2021-04-28
最終更新日2021-09-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Neutralization of the anthrax toxin by antibody-mediated stapling of its membrane-penetrating loop.
Acta Crystallogr D Struct Biol, 77, 2021
7N1N
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BU of 7n1n by Molmil
Prx in complex with ComR DNA-binding domain
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ComR, Prx
著者Rutbeek, N.R, Prehna, G.
登録日2021-05-27
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular mechanism of quorum sensing inhibition in Streptococcus by the phage protein paratox.
J.Biol.Chem., 297, 2021
3LKU
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BU of 3lku by Molmil
Crystal structure of S. cerevisiae Get4 in complex with an N-terminal fragment of Get5
分子名称: PROLINE, UPF0363 protein YOR164C, Ubiquitin-like protein MDY2
著者Chartron, J.W, Clemons Jr, W.M.
登録日2010-01-27
公開日2010-06-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural characterization of the Get4/Get5 complex and its interaction with Get3.
Proc.Natl.Acad.Sci.USA, 107, 2010
4MVT
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BU of 4mvt by Molmil
Crystal structure of SUMO E3 Ligase PIAS3
分子名称: CHLORIDE ION, E3 SUMO-protein ligase PIAS3, UNKNOWN ATOM OR ION, ...
著者Dong, A, Hu, J, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2013-09-24
公開日2013-10-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of SUMO E3 Ligase PIAS3
to be published
4NAM
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BU of 4nam by Molmil
1.7A structure of 5-Fluoro Tryptophan Labeled Protective Antigen (W206Y)
分子名称: CALCIUM ION, Protective antigen
著者Lovell, S, Battaile, K.P, Chadegani, F, Mulangi, V, Miyagi, M, Bann, J.G.
登録日2013-10-22
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献(19)F nuclear magnetic resonance and crystallographic studies of 5-fluorotryptophan-labeled anthrax protective antigen and effects of the receptor on stability.
Biochemistry, 53, 2014
8T3J
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BU of 8t3j by Molmil
Crystal structure of native exfoliative toxin C (ExhC) from Mammaliicoccus sciuri
分子名称: Exfoliative toxin C
著者Calil, F.A, Gismene, C, Hernandez Gonzalez, J.E, Ziem Nascimento, A.F, Santisteban, A.R.N, Arni, R.K, Barros Mariutti, R.
登録日2023-06-07
公開日2023-11-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献Necrotic activity of ExhC from Mammaliicoccus sciuri is mediated by specific amino acid residues.
Int.J.Biol.Macromol., 254, 2024
8T3I
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Crystal structure of mutant exfoliative toxin C (ExhC) from Mammaliicoccus sciuri
分子名称: Exfoliative toxin C
著者Gismene, C, Calil, F.A, Hernandez Gonzalez, J.E, Ziem Nascimento, A.F, Santisteban, A.R.N, Arni, R.K, Barros Mariutti, R.
登録日2023-06-07
公開日2023-11-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Necrotic activity of ExhC from Mammaliicoccus sciuri is mediated by specific amino acid residues.
Int.J.Biol.Macromol., 254, 2024

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