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8HUB
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AMP deaminase 2 in complex with an inhibitor
分子名称: 3,3-dimethyl-4-(phenylmethyl)-2~{H}-quinoxaline-1-carboxamide, AMP deaminase 2, ZINC ION
著者Adachi, T, Doi, S.
登録日2022-12-23
公開日2023-01-18
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献The discovery of 3,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-1-carboxamides as AMPD2 inhibitors with a novel mechanism of action.
Bioorg.Med.Chem.Lett., 80, 2023
8HU6
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BU of 8hu6 by Molmil
AMP deaminase 2 in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, AMP deaminase 2, SULFATE ION, ...
著者Adachi, T, Doi, S.
登録日2022-12-22
公開日2023-01-18
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献The discovery of 3,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-1-carboxamides as AMPD2 inhibitors with a novel mechanism of action.
Bioorg.Med.Chem.Lett., 80, 2023
1UGN
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BU of 1ugn by Molmil
Crystal structure of LIR1.02, one of the alleles of LIR1
分子名称: Leukocyte immunoglobulin-like receptor 1
著者Shiroishi, M, Rasubala, L, Kuroki, K, Amano, K, Tsuchiya, N, Tokunaga, K, Kohda, D, Maenaka, K.
登録日2003-06-17
公開日2004-08-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Extensive polymorphisms of LILRB1 (ILT2, LIR1) and their association with HLA-DRB1 shared epitope negative rheumatoid arthritis.
Hum.Mol.Genet., 14, 2005
8JBN
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BU of 8jbn by Molmil
Vascular endothelial protein tyrosine phosphatase in complex with Cpd-1
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(1~{H}-indol-3-yl)-1,2-oxazole-3-carboxylic acid, ...
著者Orita, T, Furuzono, T, Doi, S, Adachi, T.
登録日2023-05-09
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Fragment-Based Discovery of Novel VE-PTP Inhibitors Using Orthogonal Biophysical Techniques.
Biochemistry, 62, 2023
8JBY
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Vascular endothelial protein tyrosine phosphatase in complex with Cpd-2
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(hydroxymethyl)-5-(1-methylindol-3-yl)-1,2-oxazole-3-carboxylic acid, ...
著者Orita, T, Furuzono, T, Doi, S, Adachi, T.
登録日2023-05-10
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Fragment-Based Discovery of Novel VE-PTP Inhibitors Using Orthogonal Biophysical Techniques.
Biochemistry, 62, 2023
5GVI
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Zebrafish USP30 in complex with Lys6-linked diubiquitin
分子名称: Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION, ubiquitin
著者Sato, Y, Fukai, S.
登録日2016-09-05
公開日2017-09-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural basis for specific cleavage of Lys6-linked polyubiquitin chains by USP30
Nat. Struct. Mol. Biol., 24, 2017
2RQ8
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Solution NMR structure of titin I27 domain mutant
分子名称: Titin
著者Yagawa, K, Oguro, T, Momose, T, Kawano, S, Sato, T, Endo, T.
登録日2009-03-05
公開日2010-02-02
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural basis for unfolding pathway-dependent stability of proteins: Vectorial unfolding vs. global unfolding
Protein Sci., 2010
5YJ9
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BU of 5yj9 by Molmil
Crystal structure of Tribolium castaneum PINK1 kinase domain in complex with AMP-PNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase PINK1, ...
著者Okatsu, K, Sato, Y, Fukai, S.
登録日2017-10-09
公開日2018-07-25
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural insights into ubiquitin phosphorylation by PINK1.
Sci Rep, 8, 2018
7T8F
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G93A mutant of human SOD1 bound with Ebselen in P21 space group
分子名称: ACETATE ION, N-phenyl-2-selanylbenzamide, Superoxide dismutase [Cu-Zn], ...
著者Amporndanai, K, Hasnain, S.S.
登録日2021-12-16
公開日2023-01-25
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Sci Rep, 14, 2024
7T8E
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G93A mutant of human SOD1 in P21 space group
分子名称: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
著者Amporndanai, K, Hasnain, S.S.
登録日2021-12-16
公開日2023-01-25
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Sci Rep, 14, 2024
7T8H
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BU of 7t8h by Molmil
G93A mutant of human SOD1 bound with MR6-26-2 in P21 space group
分子名称: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
著者Amporndanai, K, Hasnain, S.S.
登録日2021-12-16
公開日2023-01-25
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Sci Rep, 14, 2024
7T8G
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BU of 7t8g by Molmil
G93A mutant of human SOD1 bound with MR6-8-2 in P21 space group
分子名称: ACETATE ION, SELENIUM ATOM, SULFATE ION, ...
著者Amporndanai, K, Hasnain, S.S.
登録日2021-12-16
公開日2023-01-25
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Sci Rep, 14, 2024
2HKO
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Crystal structure of LSD1
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1
著者Chen, Y, Yang, Y.T, Wang, F, Yanane, K, Zhang, Y, Lei, M.
登録日2006-07-05
公開日2006-08-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of human histone lysine-specific demethylase 1 (LSD1).
Proc.Natl.Acad.Sci.Usa, 103, 2006
7S3N
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BU of 7s3n by Molmil
SARS-CoV-2 S stem helix peptide bound to Fab22
分子名称: Fab22 Heavy Chain, Fab22 Light Chain, Spike glycoprotein
著者Goldsmith, J.A, McLellan, J.S.
登録日2021-09-07
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Stabilized coronavirus spike stem elicits a broadly protective antibody.
Cell Rep, 37, 2021
7S3M
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MERS-CoV S stem helix peptide bound to Fab22
分子名称: Fab22 Heavy Chain, Fab22 Light Chain, Spike glycoprotein
著者Goldsmith, J.A, McLellan, J.S.
登録日2021-09-07
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Stabilized coronavirus spike stem elicits a broadly protective antibody.
Cell Rep, 37, 2021
7WWY
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M117L variant of Cu/Zn-superoxide dismutase from dog (Canis familiaris)
分子名称: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
著者Narikiyo, S, Furukawa, Y, Akutsu, M.
登録日2022-02-14
公開日2023-02-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Intrinsic structural vulnerability in the hydrophobic core induces species-specific aggregation of canine SOD1 with degenerative myelopathy-linked E40K mutation.
J.Biol.Chem., 299, 2023
7WWT
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Cu/Zn-superoxide dismutase from dog (Canis familiaris)
分子名称: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
著者Narikiyo, S, Furukawa, Y, Akutsu, M.
登録日2022-02-14
公開日2023-02-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Intrinsic structural vulnerability in the hydrophobic core induces species-specific aggregation of canine SOD1 with degenerative myelopathy-linked E40K mutation.
J.Biol.Chem., 299, 2023
7WX0
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E40K variant of Cu/Zn-superoxide dismutase from dog (Canis familiaris)
分子名称: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
著者Narikiyo, S, Furukawa, Y, Akutsu, M.
登録日2022-02-14
公開日2023-02-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Intrinsic structural vulnerability in the hydrophobic core induces species-specific aggregation of canine SOD1 with degenerative myelopathy-linked E40K mutation.
J.Biol.Chem., 299, 2023
7WX1
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BU of 7wx1 by Molmil
E40K/M117L variant of Cu/Zn-superoxide dismutase from dog (Canis familiaris)
分子名称: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
著者Narikiyo, S, Furukawa, Y, Akutsu, M.
登録日2022-02-14
公開日2023-02-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Intrinsic structural vulnerability in the hydrophobic core induces species-specific aggregation of canine SOD1 with degenerative myelopathy-linked E40K mutation.
J.Biol.Chem., 299, 2023
8EUQ
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Crystal structure of HLA-DRA*01:01/HLA-DRB1*04:01 in complex with c44H10 Fab
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, HLA class II histocompatibility antigen, ...
著者Kassardjian, A, Julien, J.-P.
登録日2022-10-19
公開日2023-04-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Modular adjuvant-free pan-HLA-DR-immunotargeting subunit vaccine against SARS-CoV-2 elicits broad sarbecovirus-neutralizing antibody responses.
Cell Rep, 42, 2023
5AAM
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Structure of a redesigned cross-reactive antibody to dengue virus with increased in vivo potency
分子名称: ENVELOPE PROTEIN, SCFV513
著者Wong, Y.H, Robinson, L.N, Lescar, J, Sasisekharan, R.
登録日2015-07-27
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure-Guided Design of an Anti-Dengue Antibody Directed to a Non-Immunodominant Epitope.
Cell(Cambridge,Mass.), 162, 2015
5AAW
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Structure of a redesigned cross-reactive antibody to dengue virus with increased in vivo potency
分子名称: DENGUE SEROTYPE 4 ENVELOPE PROTEIN DOMAIN 3, SCFV513
著者Wong, Y, Robinson, L, Lescar, J, Sasisekharan, R.
登録日2015-07-30
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献Structure-Guided Design of an Anti-Dengue Antibody Directed to a Non-Immunodominant Epitope.
Cell(Cambridge,Mass.), 162, 2015
1RKU
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Crystal Structure of ThrH gene product of Pseudomonas Aeruginosa
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, homoserine kinase
著者Singh, S.K, Yang, K, Subramanian, K, Karthikeyan, S, Huynh, T, Zhang, X, Phillips, M.A, Zhang, H.
登録日2003-11-23
公開日2004-03-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献The thrH Gene Product of Pseudomonas aeruginosa Is a Dual Activity Enzyme with a Novel Phosphoserine:Homoserine Phosphotransferase Activity.
J.Biol.Chem., 279, 2004
1RKV
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Structure of Phosphate complex of ThrH from Pseudomonas aeruginosa
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ...
著者Singh, S.K, Yang, K, Subramanian, K, Karthikeyan, S, Huynh, T, Zhang, X, Phillips, M.A, Zhang, H.
登録日2003-11-23
公開日2004-03-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The thrH Gene Product of Pseudomonas aeruginosa Is a Dual Activity Enzyme with a Novel Phosphoserine:Homoserine Phosphotransferase Activity.
J.Biol.Chem., 279, 2004
7EAT
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Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 1
分子名称: 1,3-dihydro-2H-indol-2-one, SULFATE ION, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, ...
著者Orita, T, Doi, S, Iwanaga, T, Adachi, T.
登録日2021-03-08
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021

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