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7YUK
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BU of 7yuk by Molmil
Complex structure of BANP BEN domain bound to DNA
分子名称: DNA (5'-D(*CP*TP*CP*TP*CP*GP*CP*GP*AP*GP*AP*G)-3'), GLYCEROL, Protein BANP
著者Zhang, J, Xiao, Y.Q, Chen, Y.X, Liu, K, Min, J.R.
登録日2022-08-17
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
7YUG
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BU of 7yug by Molmil
Structure of human BANP BEN domain
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, BROMIDE ION, CHLORIDE ION, ...
著者Zhang, J, Xiao, Y.Q, Chen, Y.X, Liu, K, Min, J.R.
登録日2022-08-17
公開日2023-04-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
7YUL
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BU of 7yul by Molmil
Crystal structure of human BEND6 BEN domain in complex with DNA
分子名称: BEN domain-containing protein 6, DNA (5'-D(*CP*TP*CP*TP*CP*GP*CP*GP*AP*GP*AP*G)-3'), GLYCOLIC ACID
著者Liu, K, Xiao, Y.Q, Zhang, J, Min, J.R.
登録日2022-08-17
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
7YUN
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BU of 7yun by Molmil
Crystal structure of human BEND6 BEN domain in complex with methylated DNA
分子名称: BEN domain-containing protein 6, DNA (5'-D(*CP*TP*CP*TP*CP*GP*(5CM)P*GP*AP*GP*AP*G)-3')
著者Liu, K, Xiao, Y.Q, Zhang, J, Min, J.R.
登録日2022-08-17
公開日2023-05-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
7XAF
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BU of 7xaf by Molmil
The crystal structure of TrkA kinase in complex with 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo- tetradecaphan-2-yne-45-carboxamide
分子名称: 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide, High affinity nerve growth factor receptor
著者Zhang, Z.M, Wang, Y.J.
登録日2022-03-17
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.001182 Å)
主引用文献Discovery of the First Highly Selective and Broadly Effective Macrocycle-Based Type II TRK Inhibitors that Overcome Clinically Acquired Resistance.
J.Med.Chem., 65, 2022
8GUG
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BU of 8gug by Molmil
Structure of VPA0770 toxin bound to VPA0769 antitoxin in Vibrio parahaemolyticus
分子名称: DUF2384 domain-containing protein, RES domain-containing protein
著者Song, X.J, Zhang, Y, Xu, Y.Y, Lin, Z.
登録日2022-09-12
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural insights of the toxin-antitoxin system VPA0770-VPA0769 in Vibrio parahaemolyticus.
Int.J.Biol.Macromol., 242, 2023
7Y9J
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BU of 7y9j by Molmil
Crystal structure of P450 BM3-TMK from Bacillus megaterium in complex with 5-nitro-1,2-benzisoxazole
分子名称: 5-nitro-1,2-benzoxazole, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T.
登録日2022-06-24
公開日2023-06-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Engineering of a P450-based Kemp eliminase with a new mechanism
Chinese J Catal, 47, 2023
7Y9K
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BU of 7y9k by Molmil
Crystal structure of P450 BM3-TMK from Bacillus megaterium
分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T.
登録日2022-06-25
公開日2023-06-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Engineering of a P450-based Kemp eliminase with a new mechanism
Chinese J Catal, 47, 2023
7VJL
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BU of 7vjl by Molmil
The crystal structure of FGFR4 kinase domain in complex with N-(5-cyano-4-((2-methoxyethyl)amino)pyridin-2-yl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
分子名称: Fibroblast growth factor receptor 4, N-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
著者Zhang, Z.M, Wang, Y.J.
登録日2021-09-28
公開日2022-02-23
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.900173 Å)
主引用文献Characterization of an aromatic trifluoromethyl ketone as a new warhead for covalently reversible kinase inhibitor design.
Bioorg.Med.Chem., 50, 2021
7GQT
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BU of 7gqt by Molmil
Crystal Structure of Werner helicase fragment 517-945 in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, MAGNESIUM ION, ...
著者Classen, M, Benz, J, Brugger, D, Rudolph, M.G.
登録日2023-10-19
公開日2024-05-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
7GQU
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BU of 7gqu by Molmil
Crystal Structure of Werner helicase fragment 517-945 in covalent complex with N-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide
分子名称: ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, GLYCEROL, ...
著者Classen, M, Benz, J, Brugger, D, Tagliente, O, Rudolph, M.G.
登録日2023-10-19
公開日2024-05-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
7GQS
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BU of 7gqs by Molmil
Crystal Structure of Werner helicase fragment 517-945 in complex with ADP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ...
著者Classen, M, Benz, J, Brugger, D, Rudolph, M.G.
登録日2023-10-19
公開日2024-05-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
6KTC
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BU of 6ktc by Molmil
Crystal structure of YBX1 CSD with m5C RNA
分子名称: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*GP*(5MC)P*CP*U)-3')
著者Zou, F, Li, S.
登録日2019-08-27
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.008 Å)
主引用文献DrosophilaYBX1 homolog YPS promotes ovarian germ line stem cell development by preferentially recognizing 5-methylcytosine RNAs.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KUG
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BU of 6kug by Molmil
Crystal structure of YBX1 CSD with RNA
分子名称: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*GP*CP*CP*U)-3')
著者Zou, F, Li, S.
登録日2019-09-02
公開日2020-02-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献DrosophilaYBX1 homolog YPS promotes ovarian germ line stem cell development by preferentially recognizing 5-methylcytosine RNAs.
Proc.Natl.Acad.Sci.USA, 117, 2020
8HTX
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BU of 8htx by Molmil
Crystal structure of BANP in complex with methylated DNA
分子名称: DNA (5'-D(*CP*TP*CP*TP*(5CM)P*GP*CP*GP*AP*GP*AP*G)-3'), Protein BANP
著者Zhang, J, Min, J, Liu, K.
登録日2022-12-21
公開日2023-05-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
8I7X
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BU of 8i7x by Molmil
Crystal structure of human ClpP in complex with ZG36
分子名称: (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial
著者Wang, P.Y, Gan, J.H, Yang, C.-G.
登録日2023-02-02
公開日2023-07-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Assessment of the structure-activity relationship and antileukemic activity of diacylpyramide compounds as human ClpP agonists.
Eur.J.Med.Chem., 258, 2023
8GZ8
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BU of 8gz8 by Molmil
Cryo-EM structure of Abeta2 fibril polymorph1
分子名称: peptide self-assembled antimicrobial fibrils
著者Xia, W.C, Zhang, M.M, Liu, C.
登録日2022-09-26
公開日2023-09-20
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.35 Å)
主引用文献Engineering of antimicrobial peptide fibrils with feedback degradation of bacterial-secreted enzymes.
Chem Sci, 14, 2023
8GZ9
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BU of 8gz9 by Molmil
Cryo-EM structure of Abeta2 fibril polymorph2
分子名称: peptide self-assembled antimicrobial fibrils
著者Xia, W.C, Zhang, M.M, Liu, C.
登録日2022-09-26
公開日2023-09-20
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.62 Å)
主引用文献Engineering of antimicrobial peptide fibrils with feedback degradation of bacterial-secreted enzymes.
Chem Sci, 14, 2023
7WZS
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BU of 7wzs by Molmil
Crystal structure of Chromobacterium violaceum effector CopC in complex with host calmodulin and caspase-7
分子名称: Calmodulin-1, Caspase-7, CopC
著者Ding, J.
登録日2022-02-19
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Calmodulin Binding Activates Chromobacterium CopC Effector to ADP-Riboxanate Host Apoptotic Caspases.
Mbio, 13, 2022
7X3Z
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BU of 7x3z by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 1 complexed with estrone and NAD
分子名称: (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, 17-beta-hydroxysteroid dehydrogenase type 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Li, T, Lin, S.X, Yin, H.
登録日2022-03-01
公開日2023-01-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献New insights into the substrate inhibition of human 17 beta-hydroxysteroid dehydrogenase type 1.
J.Steroid Biochem.Mol.Biol., 228, 2023
8Y64
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BU of 8y64 by Molmil
Crystal structure of open state ferulic acid decarboxylase from Saccharomyces cerevisiae, F397V/I398L/T438P/P441V mutant
分子名称: DI(HYDROXYETHYL)ETHER, Ferulic acid decarboxylase 1, GLYCEROL
著者Feng, Y.B, Song, X, Zhu, X.N.
登録日2024-02-01
公開日2025-01-01
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Integrated strategies for engineering ferulic acid decarboxylase with tunnel conformation and substrate pocket for adapting non-natural substrates.
Biochem Eng J, 213, 2025
6J92
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BU of 6j92 by Molmil
Crystal structure of acetolactate decarboxylase from Enterbacter aerogenes
分子名称: Alpha-acetolactate decarboxylase, CHLORIDE ION, ZINC ION
著者Mingyang, L, Song, X, Ji, F, Feng, Y.
登録日2019-01-21
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.421 Å)
主引用文献Crystal structure of acetolactate decarboxylase from Enterbacter aerogenes
To Be Published

234785

件を2025-04-16に公開中

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