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8DIG
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BU of 8dig by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: (3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione, 3C-like proteinase nsp5
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIH
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BU of 8dih by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: (1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione, 3C-like proteinase nsp5
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
6US9
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BU of 6us9 by Molmil
Influenza A M2 proton channel wild type TM domain bound to R-rimantadine
Descriptor: CHLORIDE ION, Matrix protein 2, RIMANTADINE
Authors:Thomaston, J.L, DeGrado, W.F.
Deposit date:2019-10-25
Release date:2020-10-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity.
Biochemistry, 2021
8UHO
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BU of 8uho by Molmil
Crystal structure of SARS CoV-2 3CL protease in complex with GSK4365096A
Descriptor: 3C-like proteinase nsp5, N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-[(2S,3Z)-1-[(2S)-oxolan-2-yl]-3-(2-oxooxolan-3-ylidene)propan-2-yl]-L-leucinamide
Authors:Concha, N.O, Williams, S.P.
Deposit date:2023-10-09
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Exploration of the P1 residue in 3CL protease inhibitors leading to the discovery of a 2-tetrahydrofuran P1 replacement.
Bioorg.Med.Chem., 100, 2024
1QTR
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BU of 1qtr by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE PROLYL AMINOPEPTIDASE FROM SERRATIA MARCESCENS
Descriptor: PROLYL AMINOPEPTIDASE
Authors:Yoshimoto, T, Kabashima, T, Uchikawa, K, Inoue, T, Tanaka, N.
Deposit date:1999-06-28
Release date:1999-07-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Crystal structure of prolyl aminopeptidase from Serratia marcescens.
J.Biochem.(Tokyo), 126, 1999
5BVU
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BU of 5bvu by Molmil
Crystal structure of Thermoanaerobacterium xylolyticum GH116 beta-glucosidase
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R.
Deposit date:2015-06-05
Release date:2016-05-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2).
Acs Chem.Biol., 11, 2016
5BX5
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BU of 5bx5 by Molmil
Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with glucose
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Hua, Y, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R.
Deposit date:2015-06-08
Release date:2016-05-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2)
Acs Chem.Biol., 11, 2016
1WVO
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BU of 1wvo by Molmil
Solution structure of RSGI RUH-029, an antifreeze protein like domain in human N-acetylneuraminic acid phosphate synthase gene.
Descriptor: Sialic acid synthase
Authors:Ito, Y, Hamada, T, Hayashi, F, Yokoyama, S, Hirota, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-12-22
Release date:2006-01-03
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the antifreeze-like domain of human sialic acid synthase
Protein Sci., 15, 2006
1WWY
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BU of 1wwy by Molmil
Solution structure of the DUF1000 domain of a thioredoxin-like protein 1
Descriptor: Thioredoxin-like protein 1
Authors:Goroncy, A.K, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-01-18
Release date:2005-07-18
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the C-terminal DUF1000 domain of the human thioredoxin-like 1 protein.
Proteins, 78, 2010
2D9S
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BU of 2d9s by Molmil
Solution structure of RSGI RUH-049, a UBA domain from mouse cDNA
Descriptor: CBL E3 ubiquitin protein ligase
Authors:Hamada, T, Hirota, H, Lin, Y.-J, Guntert, P, Kurosaki, C, Izumi, K, Yoshida, M, Koshiba, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-12-13
Release date:2007-01-23
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of RSGI RUH-049, a UBA domain from mouse cDNA
To be Published
5B1L
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BU of 5b1l by Molmil
The mouse nucleosome structure containing H3t
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A type 1, ...
Authors:Urahama, T, Machida, S, Horikoshi, N, Osakabe, A, Tachiwana, H, Taguchi, H, Kurumizaka, H.
Deposit date:2015-12-08
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Testis-Specific Histone Variant H3t Gene Is Essential for Entry into Spermatogenesis
Cell Rep, 18, 2017
2DO6
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BU of 2do6 by Molmil
Solution structure of RSGI RUH-065, a UBA domain from human cDNA
Descriptor: E3 ubiquitin-protein ligase CBL-B
Authors:Hamada, T, Hirota, H, Lin, Y.-J, Guntert, P, Sato, M, Koshiba, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-27
Release date:2007-05-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of RSGI RUH-065, a UBA domain from human cDNA
To be Published
1UGO
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BU of 1ugo by Molmil
Solution structure of the first Murine BAG domain of Bcl2-associated athanogene 5
Descriptor: Bcl2-associated athanogene 5
Authors:Endoh, H, Hayashi, F, Seimiya, K, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-06-17
Release date:2004-08-03
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:The C-terminal BAG domain of BAG5 induces conformational changes of the Hsp70 nucleotide-binding domain for ADP-ATP exchange
Structure, 18, 2010
1UL5
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BU of 1ul5 by Molmil
Solution structure of the DNA-binding domain of squamosa promoter binding protein-like 7
Descriptor: ZINC ION, squamosa promoter binding protein-like 7
Authors:Yamasaki, K, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-09-09
Release date:2004-03-09
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:A novel zinc-binding motif revealed by solution structures of DNA-binding domains of Arabidopsis SBP-family transcription factors.
J.Mol.Biol., 337, 2004
5N7O
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BU of 5n7o by Molmil
EthR2 in complex with SMARt-420 compound
Descriptor: 4,4,4-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)butan-1-one, Probable transcriptional regulatory protein
Authors:Wohlkonig, A, Wintjens, R.
Deposit date:2017-02-21
Release date:2017-04-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analysis of the interaction between spiroisoxazoline SMARt-420 and the Mycobacterium tuberculosis repressor EthR2.
Biochem. Biophys. Res. Commun., 487, 2017
1WJ0
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BU of 1wj0 by Molmil
Solution Structure of the DNA-Binding Domain of Squamosa Promoter Binding Protein-Like 12 Lacking the Second Zinc-Binding Site
Descriptor: ZINC ION, squamosa promoter-binding protein-like 12
Authors:Yamasaki, K, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-28
Release date:2004-11-28
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of the SBP Domain That Lacks the Second Zinc-Binding Site
To be Published
5DI1
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BU of 5di1 by Molmil
MAP4K4 in complex with an inhibitor
Descriptor: 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol, Mitogen-activated protein kinase kinase kinase kinase 4
Authors:Liu, S.
Deposit date:2015-08-31
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment.
Acs Med.Chem.Lett., 6, 2015
1UL4
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BU of 1ul4 by Molmil
Solution structure of the DNA-binding domain of squamosa promoter binding protein-like 4
Descriptor: ZINC ION, squamosa promoter binding protein-like 4
Authors:Yamasaki, K, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-09-09
Release date:2004-03-09
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:A novel zinc-binding motif revealed by solution structures of DNA-binding domains of Arabidopsis SBP-family transcription factors.
J.Mol.Biol., 337, 2004
5B1M
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BU of 5b1m by Molmil
The mouse nucleosome structure containing H3.1
Descriptor: DNA (146-MER), Histone H2A type 1, Histone H2B type 3-A, ...
Authors:Urahama, T, Machida, S, Horikoshi, N, Osakabe, A, Tachiwana, H, Taguchi, H, Kurumizaka, H.
Deposit date:2015-12-08
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Testis-Specific Histone Variant H3t Gene Is Essential for Entry into Spermatogenesis
Cell Rep, 18, 2017
1UKX
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BU of 1ukx by Molmil
Solution structure of the RWD domain of mouse GCN2
Descriptor: GCN2 eIF2alpha kinase
Authors:Nameki, N, Yoneyama, M, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-09-03
Release date:2004-08-03
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the RWD domain of the mouse GCN2 protein.
Protein Sci., 13, 2004
1WIJ
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BU of 1wij by Molmil
Solution Structure of the DNA-Binding Domain of Ethylene-Insensitive3-Like3
Descriptor: ETHYLENE-INSENSITIVE3-like 3 protein
Authors:Yamasaki, K, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-28
Release date:2004-11-28
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the major DNA-binding domain of Arabidopsis thaliana ethylene-insensitive3-like3.
J.Mol.Biol., 348, 2005
1X4S
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BU of 1x4s by Molmil
Solution structure of zinc finger HIT domain in protein FON
Descriptor: ZINC ION, Zinc finger HIT domain containing protein 2
Authors:He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-14
Release date:2005-11-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the zinc finger HIT domain in protein FON
Protein Sci., 16, 2007
1WMG
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BU of 1wmg by Molmil
Crystal structure of the UNC5H2 death domain
Descriptor: SULFATE ION, SULFITE ION, netrin receptor Unc5h2
Authors:Handa, N, Murayama, K, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-07-09
Release date:2005-01-09
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the UNC5H2 death domain
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
1WWH
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BU of 1wwh by Molmil
Crystal structure of the MPPN domain of mouse Nup35
Descriptor: nucleoporin 35
Authors:Handa, N, Murayama, K, Kukimoto, M, Hamana, H, Uchikubo, T, Takemoto, C, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-01-05
Release date:2005-07-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure of mouse Nup35 reveals atypical RNP motifs and novel homodimerization of the RRM domain
J.Mol.Biol., 363, 2006
1WJ2
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BU of 1wj2 by Molmil
Solution Structure of the C-terminal WRKY Domain of AtWRKY4
Descriptor: Probable WRKY transcription factor 4, ZINC ION
Authors:Yamasaki, K, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-28
Release date:2004-11-28
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of an Arabidopsis WRKY DNA binding domain.
Plant Cell, 17, 2005

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數據於2024-10-16公開中

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