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6JZU
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BU of 6jzu by Molmil
The crystal structure of acyl-acyl carrier protein (acyl-ACP) reductase (AAR) in complex with aldehyde deformylating oxygenase (ADO)
分子名称: Aldehyde decarbonylase, FE (II) ION, HEXADECAN-1-OL, ...
著者Zhang, H.M, Li, M, Gao, Y.
登録日2019-05-03
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.181 Å)
主引用文献Structural insights into catalytic mechanism and product delivery of cyanobacterial acyl-acyl carrier protein reductase.
Nat Commun, 11, 2020
5Z30
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BU of 5z30 by Molmil
The crystal structure of the nucleosome containing a cancer-associated histone H2A.Z R80C mutant
分子名称: CHLORIDE ION, DNA (146-MER), Histone H2A.Z, ...
著者Horikoshi, N, Arimura, Y, Kurumizaka, H.
登録日2018-01-05
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Cancer-associated mutations of histones H2B, H3.1 and H2A.Z.1 affect the structure and stability of the nucleosome.
Nucleic Acids Res., 46, 2018
5Y0D
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BU of 5y0d by Molmil
Crystal Structure of the human nucleosome containing the H2B E76K mutant
分子名称: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
著者Kurumizaka, H, Arimura, Y, Fujita, R, Noda, M.
登録日2017-07-16
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Cancer-associated mutations of histones H2B, H3.1 and H2A.Z.1 affect the structure and stability of the nucleosome.
Nucleic Acids Res., 46, 2018
6C54
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BU of 6c54 by Molmil
Ebola nucleoprotein nucleocapsid-like assembly and the asymmetric unit
分子名称: Nucleoprotein
著者Su, Z, Wu, C, Pintilie, G.D, Chiu, W, Amarasinghe, G.K, Leung, D.W.
登録日2018-01-13
公開日2018-03-07
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.8 Å)
主引用文献Electron Cryo-microscopy Structure of Ebola Virus Nucleoprotein Reveals a Mechanism for Nucleocapsid-like Assembly.
Cell, 172, 2018
6CG2
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BU of 6cg2 by Molmil
Crystal Structure of KDM4A with Compound 8
分子名称: 2-[5-(3-hydroxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ...
著者Hosfield, D.J, Nie, Z.
登録日2018-02-19
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structure-based design and discovery of potent and selective KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6CG1
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BU of 6cg1 by Molmil
Crystal Structure of KDM4A with Compound 14
分子名称: 3-{[(4-fluorophenyl)methyl]amino}pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ...
著者Hosfield, D.J, Nie, Z.
登録日2018-02-19
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure-based design and discovery of potent and selective KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6CGW
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BU of 6cgw by Molmil
Solution NMR structure of JzTx-V, a Nav 1.7 inhibitory peptide
分子名称: Beta/kappa-theraphotoxin-Cg2a
著者Jordan, J.B, Andrews, K.
登録日2018-02-21
公開日2018-05-02
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Pharmacological characterization of potent and selective NaV1.7 inhibitors engineered from Chilobrachys jingzhao tarantula venom peptide JzTx-V.
PLoS ONE, 13, 2018
6CKS
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BU of 6cks by Molmil
Crystal Structure of BRD4 with QC4956
分子名称: 4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-1(2H)-one, Bromodomain-containing protein 4
著者Hosfield, D.J.
登録日2018-02-28
公開日2018-05-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Design, synthesis and biological evaluation of novel 4-phenylisoquinolinone BET bromodomain inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6D1O
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BU of 6d1o by Molmil
FT_5 dioxygenase apoenzyme
分子名称: (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase
著者Rydel, T.J, Halls, C.E.
登録日2018-04-12
公開日2018-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
5Y0C
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BU of 5y0c by Molmil
Crystal Structure of the human nucleosome at 2.09 angstrom resolution
分子名称: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
著者Kurumizaka, H, Arimura, Y, Fujita, R, Noda, M.
登録日2017-07-16
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.087 Å)
主引用文献Cancer-associated mutations of histones H2B, H3.1 and H2A.Z.1 affect the structure and stability of the nucleosome.
Nucleic Acids Res., 46, 2018
6CHC
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BU of 6chc by Molmil
JzTx-V toxin peptide, wild-type
分子名称: Beta/kappa-theraphotoxin-Cg2a
著者Jordan, J.B.
登録日2018-02-22
公開日2018-05-16
実験手法SOLUTION NMR
主引用文献Pharmacological characterization of potent and selective NaV1.7 inhibitors engineered from Chilobrachys jingzhao tarantula venom peptide JzTx-V.
PLoS ONE, 13, 2018
6CKR
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BU of 6ckr by Molmil
Crystal Structure of BRD4 with QC4956
分子名称: Bromodomain-containing protein 4, N-{3-[2-methyl-6-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide
著者Hosfield, D.J.
登録日2018-02-28
公開日2018-05-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Design, synthesis and biological evaluation of novel 4-phenylisoquinolinone BET bromodomain inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6D3J
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BU of 6d3j by Molmil
FT_T dioxygenase holoenzyme
分子名称: 2-OXOGLUTARIC ACID, COBALT (II) ION, FT_T dioxygenase
著者Rydel, T.J, Halls, C.E.
登録日2018-04-16
公開日2018-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
6D3M
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BU of 6d3m by Molmil
FT_T dioxygenase with bound quizalofop
分子名称: (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
著者Rydel, T.J, Halls, C.E.
登録日2018-04-16
公開日2018-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
6D3I
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BU of 6d3i by Molmil
ftv7 dioxygenase with 2,4-D bound
分子名称: (2,4-DICHLOROPHENOXY)ACETIC ACID, 2-OXOGLUTARIC ACID, COBALT (II) ION, ...
著者Rydel, T.J, Halls, C.E.
登録日2018-04-16
公開日2018-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.196 Å)
主引用文献Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
6D3H
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BU of 6d3h by Molmil
FT_T dioxygenase with bound dichlorprop
分子名称: (2R)-2-(2,4-dichlorophenoxy)propanoic acid, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
著者Rydel, T.J, Halls, C.E.
登録日2018-04-16
公開日2018-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
6D0O
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BU of 6d0o by Molmil
rdpA dioxygenase holoenzyme
分子名称: (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, COBALT (II) ION
著者Rydel, T.J, Sturman, E.J, Zheng, M, Evdokimov, A.
登録日2018-04-10
公開日2018-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
8H0R
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BU of 8h0r by Molmil
Crystal structure of a cataract-causing crystallin mutant (mouse CRYBB1 Y202X)
分子名称: Beta-crystallin B1B
著者Jing, X, Gong, P.
登録日2022-09-30
公開日2023-07-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.201 Å)
主引用文献Cataract-causing Y204X mutation of crystallin protein CRY beta B1 promotes its C-terminal degradation and higher-order oligomerization.
J.Biol.Chem., 299, 2023
7LQK
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BU of 7lqk by Molmil
Crystal structure of the R375A mutant of LeuT
分子名称: ALANINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION, ...
著者Font, J, Aguilar, J, Galli, A, Ryan, R.
登録日2021-02-13
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Psychomotor impairments and therapeutic implications revealed by a mutation associated with infantile Parkinsonism-Dystonia.
Elife, 10, 2021
7LQJ
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BU of 7lqj by Molmil
Crystal structure of LeuT bound to L-Alanine
分子名称: ALANINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION, ...
著者Font, J, Aguilar, J, Galli, A, Ryan, R.
登録日2021-02-13
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.144 Å)
主引用文献Psychomotor impairments and therapeutic implications revealed by a mutation associated with infantile Parkinsonism-Dystonia.
Elife, 10, 2021
7LQL
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BU of 7lql by Molmil
Crystal structure of the R375D mutant of LeuT
分子名称: ALANINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION, ...
著者Font, J, Aguilar, J, Galli, A, Ryan, R.
登録日2021-02-13
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Psychomotor impairments and therapeutic implications revealed by a mutation associated with infantile Parkinsonism-Dystonia.
Elife, 10, 2021
5YAD
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BU of 5yad by Molmil
Crystal structure of Marf1 Lotus domain from Mus musculus
分子名称: GLYCEROL, Meiosis regulator and mRNA stability factor 1, SULFATE ION
著者Yao, Q.Q, Wu, B.X, Ma, J.B.
登録日2017-08-31
公開日2018-10-03
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Ribonuclease activity of MARF1 controls oocyte RNA homeostasis and genome integrity in mice.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5YAA
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BU of 5yaa by Molmil
Crystal structure of Marf1 NYN domain from Mus musculus
分子名称: GLYCEROL, Meiosis regulator and mRNA stability factor 1
著者Yao, Q.Q, Wu, B.X, Ma, J.B.
登録日2017-08-31
公開日2018-10-03
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Ribonuclease activity of MARF1 controls oocyte RNA homeostasis and genome integrity in mice.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3UPR
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BU of 3upr by Molmil
HLA-B*57:01 complexed to pep-V and Abacavir
分子名称: Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ...
著者Pompeu, Y.A, Ostrov, D.A.
登録日2011-11-18
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Drug hypersensitivity caused by alteration of the MHC-presented self-peptide repertoire.
Proc.Natl.Acad.Sci.USA, 109, 2012
5TR6
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BU of 5tr6 by Molmil
Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK)
分子名称: 1,2-ETHANEDIOL, 6-{[(1R,2S)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one, Tyrosine-protein kinase SYK
著者Yano, J, Jennings, A, Lam, B, Hoffman, I.D.
登録日2016-10-25
公開日2016-11-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK).
Bioorg. Med. Chem. Lett., 26, 2016

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