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6MEV
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BU of 6mev by Molmil
Structure of JMJD6 bound to Mono-Methyl Arginine.
分子名称: (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, ...
著者Lee, S, Zhang, G.
登録日2018-09-07
公開日2019-09-18
最終更新日2020-04-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献JMJD6 cleaves MePCE to release positive transcription elongation factor b (P-TEFb) in higher eukaryotes.
Elife, 9, 2020
8IYQ
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BU of 8iyq by Molmil
Structure of CbCas9 bound to 20-nucleotide complementary DNA substrate
分子名称: NTS, TS, deadCbCas9, ...
著者Zhang, S, Lin, S, Liu, J.J.G.
登録日2023-04-05
公開日2024-06-05
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.46 Å)
主引用文献Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity.
Nature, 630, 2024
2H2Z
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BU of 2h2z by Molmil
Crystal structure of SARS-CoV main protease with authentic N and C-termini
分子名称: Replicase polyprotein 1ab
著者Yang, H, Xue, X, Shen, W, Zhao, Q, Rao, Z.
登録日2006-05-20
公開日2007-04-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Production of authentic SARS-CoV M(pro) with enhanced activity: application as a novel tag-cleavage endopeptidase for protein overproduction
J.Mol.Biol., 366, 2007
2HOB
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BU of 2hob by Molmil
Crystal structure of SARS-CoV main protease with authentic N and C-termini in complex with a Michael acceptor N3
分子名称: N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, Replicase polyprotein 1ab
著者Xue, X, Yang, H, Shen, W, Zhao, Q, Li, J, Rao, Z.
登録日2006-07-14
公開日2007-04-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Production of authentic SARS-CoV M(pro) with enhanced activity: application as a novel tag-cleavage endopeptidase for protein overproduction
J.Mol.Biol., 366, 2007
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
7KXE
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BU of 7kxe by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
分子名称: N-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera
著者Sack, J.
登録日2020-12-03
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
7KXF
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BU of 7kxf by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
分子名称: N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera
著者Sack, J.
登録日2020-12-03
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
7JT4
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BU of 7jt4 by Molmil
Crystal Structure of BPTF bromodomain labelled with 5-fluoro-tryptophan
分子名称: Nucleosome-remodeling factor subunit BPTF
著者Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2020-08-17
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Selectivity, ligand deconstruction, and cellular activity analysis of a BPTF bromodomain inhibitor
Org.Biomol.Chem., 17, 2019
7KU4
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BU of 7ku4 by Molmil
DNA-DB818 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB818).
分子名称: 1:(5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE, MAGNESIUM ION
著者Ogbonna, E, Fang, Z, Wilson, W.D.
登録日2020-11-24
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.
Bioorg.Med.Chem., 68, 2022
7KWK
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BU of 7kwk by Molmil
DNA-DB1879 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB1879).
分子名称: 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Ogbonna, E, Fang, Z, Wilson, D.W.
登録日2020-12-01
公開日2021-12-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.
Bioorg.Med.Chem., 68, 2022
7KXD
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BU of 7kxd by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
分子名称: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 peptide chimera, {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol
著者Sack, J.
登録日2020-12-03
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.624 Å)
主引用文献Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
6ISU
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BU of 6isu by Molmil
Crystal structure of Lys27-linked di-ubiquitin in complex with its selective interacting protein UCHL3
分子名称: Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L3
著者Ding, S, Pan, M, Zheng, Q, Ren, Y, Hong, D.
登録日2018-11-19
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.866 Å)
主引用文献Chemical Protein Synthesis Enabled Mechanistic Studies on the Molecular Recognition of K27-linked Ubiquitin Chains.
Angew. Chem. Int. Ed. Engl., 58, 2019
6IVU
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BU of 6ivu by Molmil
Solution structure of the Sigma-anti-sigma factor complex RsgI1N-SigI1C from Clostridium thermocellum
分子名称: Anti-sigma-I factor RsgI1, RNA polymerase sigma factor SigI1
著者Wei, Z, Feng, Y.
登録日2018-12-04
公開日2019-05-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Alternative sigma I/anti-sigma I factors represent a unique form of bacterial sigma /anti-sigma complex.
Nucleic Acids Res., 47, 2019
6IVS
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BU of 6ivs by Molmil
Solution structure of the N-terminal domain of the anti-sigma factor RsgI1 from Clostridium thermocellum
分子名称: Anti-sigma-I factor RsgI1
著者Wei, Z, Feng, Y.
登録日2018-12-04
公開日2019-05-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Alternative sigma I/anti-sigma I factors represent a unique form of bacterial sigma /anti-sigma complex.
Nucleic Acids Res., 47, 2019
2JWY
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BU of 2jwy by Molmil
Solution NMR structure of uncharacterized lipoprotein yajI from Escherichia coli. Northeast Structural Genomics target ER540
分子名称: Uncharacterized lipoprotein yajI
著者Liu, G, Xiao, R, Chen, C, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2007-10-31
公開日2007-11-20
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution NMR structure of uncharacterized lipoprotein yajI from Escherichia coli.
To be Published
5WJR
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BU of 5wjr by Molmil
High resolution native hexamer DNA and RNA hybrid in complex with RNase H catalytic domain D132N mutant
分子名称: DNA (5'-D(*AP*TP*GP*TP*CP*G)-3'), MAGNESIUM ION, RNA (5'-R(*UP*CP*GP*AP*CP*A)-3'), ...
著者Fang, Z, Huang, Z.
登録日2017-07-24
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Synthesis of Pyrimidine Modified Seleno-DNA as a Novel Approach to Antisense Candidate
Chemistryselect, 8, 2023
5X39
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BU of 5x39 by Molmil
Solution structure of the Family 1 carbohydrate-binding module Q2A mutant with mannosylated Ser3
分子名称: Exoglucanase 1, alpha-D-mannopyranose
著者Feng, Y, Tan, Z.
登録日2017-02-04
公開日2017-05-31
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural Insight into the Stabilizing Effect of O-Glycosylation
Biochemistry, 56, 2017
5X34
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BU of 5x34 by Molmil
Solution structure of the Family 1 carbohydrate-binding module, unglycosylated form
分子名称: Exoglucanase 1
著者Feng, Y, Tan, Z.
登録日2017-02-04
公開日2017-05-31
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural Insight into the Stabilizing Effect of O-Glycosylation
Biochemistry, 56, 2017
5XMK
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BU of 5xmk by Molmil
Cryo-EM structure of the ATP-bound Vps4 mutant-E233Q complex with Vta1 (masked)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Vacuolar protein sorting-associated protein 4, Vacuolar protein sorting-associated protein VTA1
著者Sun, S, Li, L, Yang, F, Wang, X, Fan, F, Li, X, Wang, H, Sui, S.
登録日2017-05-15
公開日2017-08-09
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.18 Å)
主引用文献Cryo-EM structures of the ATP-bound Vps4(E233Q) hexamer and its complex with Vta1 at near-atomic resolution
Nat Commun, 8, 2017
5XMI
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BU of 5xmi by Molmil
Cryo-EM Structure of the ATP-bound VPS4 mutant-E233Q hexamer (masked)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Vacuolar protein sorting-associated protein 4
著者Sun, S, Li, L, Yang, F, Wang, X, Fan, F, Li, X, Wang, H, Sui, S.
登録日2017-05-15
公開日2017-08-09
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structures of the ATP-bound Vps4(E233Q) hexamer and its complex with Vta1 at near-atomic resolution
Nat Commun, 8, 2017
5X38
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BU of 5x38 by Molmil
Solution structure of the Family 1 carbohydrate-binding module with glucosylated Ser3
分子名称: Exoglucanase 1, beta-D-glucopyranose
著者Feng, Y, Tan, Z.
登録日2017-02-04
公開日2017-05-31
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural Insight into the Stabilizing Effect of O-Glycosylation
Biochemistry, 56, 2017
5X35
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BU of 5x35 by Molmil
Solution structure of the Family 1 carbohydrate-binding module with mannosylated Thr1
分子名称: Exoglucanase 1, alpha-D-mannopyranose
著者Feng, Y, Tan, Z.
登録日2017-02-04
公開日2017-05-31
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural Insight into the Stabilizing Effect of O-Glycosylation
Biochemistry, 56, 2017
5X36
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BU of 5x36 by Molmil
Solution structure of the Family 1 carbohydrate-binding module with mannosylated Ser3
分子名称: Exoglucanase 1, alpha-D-mannopyranose
著者Feng, Y, Tan, Z.
登録日2017-02-04
公開日2017-05-31
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural Insight into the Stabilizing Effect of O-Glycosylation
Biochemistry, 56, 2017
5X37
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BU of 5x37 by Molmil
Solution structure of the Family 1 carbohydrate-binding module with mannosylated Ser14
分子名称: Exoglucanase 1, alpha-D-mannopyranose
著者Feng, Y, Tan, Z.
登録日2017-02-04
公開日2017-05-31
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural Insight into the Stabilizing Effect of O-Glycosylation
Biochemistry, 56, 2017
5X3C
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BU of 5x3c by Molmil
Solution structure of the Family 1 carbohydrate-binding module Y5A mutant with mannosylated Ser3
分子名称: Exoglucanase 1, alpha-D-mannopyranose
著者Feng, Y, Tan, Z.
登録日2017-02-04
公開日2017-05-31
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural Insight into the Stabilizing Effect of O-Glycosylation
Biochemistry, 56, 2017

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