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2A4Q
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BU of 2a4q by Molmil
HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound.
分子名称: (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID, BETA-MERCAPTOETHANOL, NS3 protease/helicase', ...
著者Chen, K.X, Njoroge, F.G, Prongay, A, Pichardo, J, Madison, V, Girijavallabhan, V.
登録日2005-06-29
公開日2006-07-04
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Synthesis and Biological Activity of Macrocyclic Inhibitors of Hepatitis C Virus (HCV) NS3 Protease
Bioorg.Med.Chem.Lett., 15, 2005
6LLG
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BU of 6llg by Molmil
Crystal Structure of Fagopyrum esculentum M UGT708C1
分子名称: BENZAMIDINE, SULFATE ION, UDP-glycosyltransferase 708C1
著者Wang, X, Liu, M.
登録日2019-12-23
公開日2020-09-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of theC-Glycosyltransferase UGT708C1 from Buckwheat Provide Insights into the Mechanism ofC-Glycosylation.
Plant Cell, 32, 2020
6MIN
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BU of 6min by Molmil
Crystal structure of Taf14 YEATS domain G82A mutant in complex with histone H3K9cr
分子名称: Histone H3K9cr, Transcription initiation factor TFIID subunit 14
著者Klein, B.J, Andrews, F.H, Kutateladze, T.G.
登録日2018-09-19
公開日2018-11-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
6MIM
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BU of 6mim by Molmil
Crystal structure of AF9 YEATS domain Y78W mutant in complex with histone H3K9cr
分子名称: Histone H3K9cr, Protein AF-9
著者Vann, K.R, Klein, B.J, Kutateladze, T.G.
登録日2018-09-19
公開日2018-11-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.525 Å)
主引用文献Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
6MIO
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BU of 6mio by Molmil
Crystal structure of Taf14 YEATS domain in complex with histone H3K9pr
分子名称: Histone H3K9pr, Transcription initiation factor TFIID subunit 14
著者Klein, B.J, Andrews, F.H, Vann, K.R, Kutateladze, T.G.
登録日2018-09-19
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
6MIQ
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BU of 6miq by Molmil
Crystal structure of Taf14 YEATS domain in complex with histone H3K9bu
分子名称: Histone H3K9bu, Transcription initiation factor TFIID subunit 14
著者Klein, B.J, Andrews, F.H, Vann, K.R, Kutateladze, T.G.
登録日2018-09-19
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
6MIP
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BU of 6mip by Molmil
Crystal structure of Taf14 YEATS domain G82A mutant
分子名称: DI(HYDROXYETHYL)ETHER, Transcription initiation factor TFIID subunit 14
著者Klein, B.J, Andrews, F.H, Kutateladze, T.G.
登録日2018-09-19
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
4M7R
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BU of 4m7r by Molmil
Crystal structure of the N-terminal methyltransferase-like domain of anamorsin
分子名称: Anamorsin, MERCURY (II) ION
著者Song, G, Liu, Z.-J.
登録日2013-08-12
公開日2013-10-30
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Crystal structure of the N-terminal methyltransferase-like domain of anamorsin.
Proteins, 82, 2014
5TV4
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BU of 5tv4 by Molmil
3D cryo-EM reconstruction of nucleotide-free MsbA in lipid nanodisc
分子名称: 3-HYDROXY-TETRADECANOIC ACID, L-glycero-alpha-D-manno-heptopyranose-(1-7)-L-glycero-alpha-D-manno-heptopyranose-(1-3)-L-glycero-alpha-D-manno-heptopyranose-(1-5)-[3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)]3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-amino-2-deoxy-alpha-D-glucopyranose-(1-6)-2-amino-2-deoxy-alpha-D-glucopyranose, LAURIC ACID, ...
著者Mi, W, Walz, T, Liao, M.
登録日2016-11-08
公開日2017-09-20
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural basis of MsbA-mediated lipopolysaccharide transport.
Nature, 549, 2017
5VC9
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BU of 5vc9 by Molmil
Zinc finger of human CXXC4 in complex with CpG DNA
分子名称: CXXC-type zinc finger protein 4, CpG DNA, UNKNOWN ATOM OR ION, ...
著者Liu, K, Xu, C, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-03-31
公開日2017-06-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
7C53
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BU of 7c53 by Molmil
Crystal Structure of SARS-CoV-2 HR1 motif in complex with pan-CoVs inhibitor EK1
分子名称: CALCIUM ION, Spike protein S2',pan-CoVs inhibitor EK1
著者Zhu, Y, Yang, X, Sun, F.
登録日2020-05-19
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.278 Å)
主引用文献Structural and functional basis for pan-CoV fusion inhibitors against SARS-CoV-2 and its variants with preclinical evaluation.
Signal Transduct Target Ther, 6, 2021
8JC5
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BU of 8jc5 by Molmil
Crystal structure of PLEKHM1 RUN domain in complex with GTP-bound Arl8b(Q75L)
分子名称: ADP-ribosylation factor-like protein 8B, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Qiu, X.H, Pan, L.F.
登録日2023-05-10
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Mechanistic Insights into the Interactions of Arl8b with the RUN Domains of PLEKHM1 and SKIP.
J.Mol.Biol., 435, 2023
8JCA
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BU of 8jca by Molmil
Cyrstal structure of SKIP RUN domain in complex with GTP-bound Arl8b(Q75L)
分子名称: ADP-ribosylation factor-like protein 8B, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Qiu, X.H, Pan, L.F.
登録日2023-05-10
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Mechanistic Insights into the Interactions of Arl8b with the RUN Domains of PLEKHM1 and SKIP.
J.Mol.Biol., 435, 2023
3DB4
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BU of 3db4 by Molmil
Crystal structure of the tandem tudor domains of the E3 ubiquitin-protein ligase UHRF1
分子名称: E3 ubiquitin-protein ligase UHRF1, SULFATE ION
著者Walker, J.R, Avvakumov, G.V, Xue, S, Dong, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2008-05-30
公開日2008-09-16
最終更新日2012-04-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein.
J.Biol.Chem., 286, 2011
3DB3
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BU of 3db3 by Molmil
Crystal structure of the tandem tudor domains of the E3 ubiquitin-protein ligase UHRF1 in complex with trimethylated histone H3-K9 peptide
分子名称: E3 ubiquitin-protein ligase UHRF1, Trimethylated histone H3-K9 peptide
著者Walker, J.R, Avvakumov, G.V, Xue, S, Dong, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2008-05-30
公開日2008-09-16
最終更新日2012-04-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein.
J.Biol.Chem., 286, 2011
5W9Q
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BU of 5w9q by Molmil
Zinc finger region of MBD1 in complex with CpG DNA
分子名称: Methyl-CpG-binding domain protein 1, UNKNOWN ATOM OR ION, ZINC ION, ...
著者Liu, K, Xu, C, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-06-23
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
5WI9
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BU of 5wi9 by Molmil
Crystal structure of KL with an agonist Fab
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 39F7 Fab heavy chain, ...
著者Johnstone, S, Min, X, Wang, Z.
登録日2017-07-18
公開日2018-07-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Agonistic beta-Klotho antibody mimics fibroblast growth factor 21 (FGF21) functions.
J. Biol. Chem., 293, 2018
3E5H
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BU of 3e5h by Molmil
Crystal Structure of Rab28 GTPase in the Active (GppNHp-bound) Form
分子名称: GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Lee, S.H, Baek, K, Li, Y, Dominguez, R.
登録日2008-08-13
公開日2008-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Large nucleotide-dependent conformational change in Rab28.
Febs Lett., 582, 2008
5WQ6
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BU of 5wq6 by Molmil
Crystal Structure of hMNDA-PYD with MBP tag
分子名称: 1,2-ETHANEDIOL, ACETATE ION, MBP tagged hMNDA-PYD, ...
著者Jin, T.C, Xiao, T.S.
登録日2016-11-23
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.648 Å)
主引用文献Design of an expression system to enhance MBP-mediated crystallization
Sci Rep, 7, 2017
3UWP
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BU of 3uwp by Molmil
Crystal structure of Dot1l in complex with 5-iodotubercidin
分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2011-12-02
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
6LKA
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BU of 6lka by Molmil
Crystal Structure of EV71-3C protease with a Novel Macrocyclic Compounds
分子名称: 3C proteinase, ~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
著者Li, P, Wu, S.Q, Xiao, T.Y.C, Li, Y.L, Su, Z.M, Hao, F, Hu, G.P, Hu, J, Lin, F.S, Chen, X.S, Gu, Z.X, He, H.Y, Li, J, Chen, S.H.
登録日2019-12-18
公開日2020-06-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.033 Å)
主引用文献Design, synthesis, and evaluation of a novel macrocyclic anti-EV71 agent.
Bioorg.Med.Chem., 28, 2020
7DSC
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BU of 7dsc by Molmil
CALHM1 open state with disordered CTH
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1
著者Ren, Y, Yang, X, Shen, Y.Q.
登録日2020-12-30
公開日2022-01-05
最終更新日2023-01-25
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structure of the heptameric calcium homeostasis modulator 1 channel.
J.Biol.Chem., 298, 2022
7DSD
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BU of 7dsd by Molmil
CALHM1 close state with disordered CTH
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1
著者Ren, Y, Yang, X, Shen, Y.Q.
登録日2020-12-30
公開日2022-01-05
最終更新日2023-01-25
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structure of the heptameric calcium homeostasis modulator 1 channel.
J.Biol.Chem., 298, 2022
7DSE
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BU of 7dse by Molmil
CALHM1 close state with ordered CTH
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1
著者Ren, Y, Yang, X, Shen, Y.Q.
登録日2020-12-30
公開日2022-01-05
最終更新日2023-01-25
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of the heptameric calcium homeostasis modulator 1 channel.
J.Biol.Chem., 298, 2022
5WPZ
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BU of 5wpz by Molmil
Crystal structure of MNDA PYD with MBP tag
分子名称: MBP-hMNDA-PYD, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Jin, T.C, Xiao, T.S.
登録日2016-11-22
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of an expression system to enhance MBP-mediated crystallization
Sci Rep, 7, 2017

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