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8HF3
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BU of 8hf3 by Molmil
Cryo-EM structure of human ZDHHC9/GCP16 complex
分子名称: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, Golgin subfamily A member 7, PALMITIC ACID, ...
著者Wu, J, Hu, Q, Zhang, Y, Liu, S, Yang, A.
登録日2022-11-09
公開日2023-11-22
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Regulation of RAS palmitoyltransferases by accessory proteins and palmitoylation.
Nat.Struct.Mol.Biol., 31, 2024
5GXO
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BU of 5gxo by Molmil
Discovery of a compound that activates SIRT3 to deacetylate Manganese Superoxide Dismutase
分子名称: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
著者Lu, J, Li, J, Wu, M, Wang, J, Xia, Q.
登録日2016-09-19
公開日2017-08-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A small molecule activator of SIRT3 promotes deacetylation and activation of manganese superoxide dismutase.
Free Radic. Biol. Med., 112, 2017
5L30
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BU of 5l30 by Molmil
Factor VIIa in complex with the inhibitor (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1H-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione
分子名称: (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1H-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione, CALCIUM ION, Coagulation factor VII (Heavy Chain), ...
著者Wei, A.
登録日2016-08-02
公開日2016-09-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5L2Z
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BU of 5l2z by Molmil
Factor VIIa in complex with the inhibitor 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid
分子名称: 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid, CALCIUM ION, Coagulation factor VII (Heavy Chain), ...
著者Wei, A.
登録日2016-08-02
公開日2016-09-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5L2Y
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BU of 5l2y by Molmil
Factor VIIa in complex with the inhibitor 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,20-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6,8,10(21),16,19-hexaen-7-yl] cyclobutane-1-carboxylic acid
分子名称: 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclobutane-1-carboxylic acid, CALCIUM ION, Coagulation factor VII (Heavy Chain), ...
著者Wei, A.
登録日2016-08-02
公開日2016-09-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5MEZ
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BU of 5mez by Molmil
Crystal structure of Smad4-MH1 bound to the GGCT site.
分子名称: CHLORIDE ION, DNA (5'-D(P*GP*CP*AP*GP*GP*CP*TP*AP*GP*CP*CP*TP*GP*CP*A)-3'), MH1 domain of human Smad4, ...
著者Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
登録日2016-11-16
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
5MEY
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BU of 5mey by Molmil
Crystal structure of Smad4-MH1 bound to the GGCGC site.
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
登録日2016-11-16
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
5MF0
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BU of 5mf0 by Molmil
Crystal structure of Smad4-MH1 bound to the GGCCG site.
分子名称: CHLORIDE ION, DNA (5'-D(P*AP*CP*GP*GP*GP*CP*CP*GP*CP*GP*GP*CP*CP*CP*GP*T)-3'), MH1 domain of human Smad4, ...
著者Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
登録日2016-11-16
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
5NM9
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BU of 5nm9 by Molmil
Crystal structure of the placozoa Trichoplax adhaerens Smad4-MH1 bound to the GGCGC site.
分子名称: DNA (5'-D(P*AP*TP*GP*CP*GP*GP*GP*CP*GP*CP*GP*CP*CP*CP*GP*CP*AP*T)-3'), Mothers against decapentaplegic homolog, ZINC ION
著者Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
登録日2017-04-05
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
3RER
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BU of 3rer by Molmil
Crystal structure of E. coli Hfq in complex with AU6A RNA and ADP
分子名称: 5'-R(*AP*UP*UP*UP*UP*UP*UP*A)-3', ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Wang, W.W, Wu, J.H, Shi, Y.Y.
登録日2011-04-05
公開日2011-10-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cooperation of Escherichia coli Hfq hexamers in DsrA binding.
Genes Dev., 25, 2011
3RES
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BU of 3res by Molmil
Crystal structure of E coli Hfq in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Protein hfq
著者Wang, W.W, Wu, J.H, Shi, Y.Y.
登録日2011-04-05
公開日2011-10-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cooperation of Escherichia coli Hfq hexamers in DsrA binding.
Genes Dev., 25, 2011
8DL5
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BU of 8dl5 by Molmil
Crystal structure of PLP-dependent Mannich cyclase LolT
分子名称: Aminotransferase, class V/Cysteine desulfurase, GLYCEROL
著者Gao, J, Hai, Y.
登録日2022-07-06
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A pyridoxal 5'-phosphate-dependent Mannich cyclase.
Nat Catal, 2023
4LWP
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BU of 4lwp by Molmil
Crystal structure of PRMT6-SAH
分子名称: Arginine N-methyltransferase, putative, IODIDE ION, ...
著者Zhu, Y, Wang, C, Shi, Y, Teng, M.
登録日2013-07-28
公開日2014-02-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.353 Å)
主引用文献Crystal Structure of Arginine Methyltransferase 6 from Trypanosoma brucei
Plos One, 9, 2014
8ERB
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BU of 8erb by Molmil
Crystal structure of Fub7 in complex with vinylglycine ketimine
分子名称: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, Sulfhydrylase FUB7
著者Hai, Y.
登録日2022-10-11
公開日2023-10-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7.
Angew.Chem.Int.Ed.Engl., 63, 2024
8EQW
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BU of 8eqw by Molmil
Crystal structure of Fub7
分子名称: Sulfhydrylase FUB7
著者Hai, Y.
登録日2022-10-10
公開日2023-10-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7.
Angew.Chem.Int.Ed.Engl., 63, 2024
8ERJ
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BU of 8erj by Molmil
Crystal structure of Fub7 in complex with E-2-aminocrotonate
分子名称: (2E)-2-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid, (2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]but-3-enoic acid, Sulfhydrylase FUB7
著者Hai, Y.
登録日2022-10-12
公開日2023-10-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7.
Angew.Chem.Int.Ed.Engl., 63, 2024
4LWO
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BU of 4lwo by Molmil
Crystal structure of PRMT6
分子名称: Arginine N-methyltransferase, putative
著者Zhu, Y, Wang, C, Shi, Y, Teng, M.
登録日2013-07-28
公開日2014-02-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Crystal Structure of Arginine Methyltransferase 6 from Trypanosoma brucei
Plos One, 9, 2014
3WOH
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BU of 3woh by Molmil
Structure of Ketoreductase SiaM from Streptomyces sp. A7248
分子名称: SiaM
著者Wang, H, Zhang, H.
登録日2013-12-29
公開日2014-08-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insight into the tetramerization of an iterative ketoreductase siam through aromatic residues in the interfaces
Plos One, 9, 2014
7RHA
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BU of 7rha by Molmil
A new fluorescent protein darkmRuby at pH 5.0
分子名称: 1,2-ETHANEDIOL, ACETATE ION, SULFATE ION, ...
著者Huang, M, Ng, H.L, Zhang, S, Deng, M, Chu, J.
登録日2021-07-16
公開日2022-07-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a new fluorescent protein darkmRuby at pH 5.0
To Be Published
7RHB
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BU of 7rhb by Molmil
A new fluorescent protein darkmRuby at pH 8.0
分子名称: darkmRuby
著者Huang, M, Ng, H.L, Zhang, S, Deng, M, Chu, J.
登録日2021-07-16
公開日2022-07-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献A Long-range Interaction Affects Brightness and pH Stability of a Dark Fluorescent Protein
To Be Published
7RHD
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BU of 7rhd by Molmil
darkmRuby M94T/F96Y mutant at pH 7.5
分子名称: 1,2-ETHANEDIOL, darkmRuby M94T/F96Y mutant
著者Huang, M, Ng, H.L, Zhang, S, Deng, M, Chu, J.
登録日2021-07-16
公開日2022-07-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Long-range Interaction Affects Brightness and pH Stability of a Dark Fluorescent Protein
To Be Published
7RHC
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BU of 7rhc by Molmil
A new fluorescent protein darkmRuby at pH 9.0
分子名称: 1,2-ETHANEDIOL, darkmRuby
著者Huang, M, Ng, H.L, Zhang, S, Deng, M, Chu, J.
登録日2021-07-16
公開日2022-07-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A Long-range Interaction Affects Brightness and pH Stability of a Dark Fluorescent Protein
To Be Published
8I7L
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BU of 8i7l by Molmil
Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with a novel inhibitor
分子名称: 1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid, Indoleamine 2,3-dioxygenase 1, THIOSULFATE
著者Li, K, Liu, W, Dong, X.
登録日2023-02-01
公開日2023-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Apo-Form Selective Inhibition of IDO for Tumor Immunotherapy.
J Immunol., 209, 2022
2KH6
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BU of 2kh6 by Molmil
Solution Structure of cis-5R,6S-thymine glycol opposite complementary adenine in duplex DNA
分子名称: 5'-D(*AP*CP*AP*AP*AP*CP*AP*CP*GP*CP*AP*C)-3', 5'-D(*GP*TP*GP*CP*GP*(CTG)P*GP*TP*TP*TP*GP*T)-3'
著者Brown, K.L.
登録日2009-03-24
公開日2010-03-02
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Binding of the human nucleotide excision repair proteins XPA and XPC/HR23B to the 5R-thymine glycol lesion and structure of the cis-(5R,6S) thymine glycol epimer in the 5'-GTgG-3' sequence: destabilization of two base pairs at the lesion site
Nucleic Acids Res., 38, 2010
2KH5
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BU of 2kh5 by Molmil
Solution Structure of cis-5R,6S-thymine glycol opposite complementary adenine in duplex DNA
分子名称: 5'-D(*AP*CP*AP*AP*AP*CP*AP*CP*GP*CP*AP*C)-3', 5'-D(*GP*TP*GP*CP*GP*(CTG)P*GP*TP*TP*TP*GP*T)-3'
著者Brown, K.L.
登録日2009-03-24
公開日2010-03-02
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Binding of the human nucleotide excision repair proteins XPA and XPC/HR23B to the 5R-thymine glycol lesion and structure of the cis-(5R,6S) thymine glycol epimer in the 5'-GTgG-3' sequence: destabilization of two base pairs at the lesion site
Nucleic Acids Res., 38, 2010

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