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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.
Descriptor: (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', ...
Authors:Chen, K.X, Njoroge, F.G, Prongay, A, Pichardo, J, Madison, V, Girijavallabhan, V.
Deposit date:2005-06-29
Release date:2006-07-04
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
Descriptor: BENZAMIDINE, SULFATE ION, UDP-glycosyltransferase 708C1
Authors:Wang, X, Liu, M.
Deposit date:2019-12-23
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: Histone H3K9cr, Transcription initiation factor TFIID subunit 14
Authors:Klein, B.J, Andrews, F.H, Kutateladze, T.G.
Deposit date:2018-09-19
Release date:2018-11-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: Histone H3K9cr, Protein AF-9
Authors:Vann, K.R, Klein, B.J, Kutateladze, T.G.
Deposit date:2018-09-19
Release date:2018-11-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.525 Å)
Cite: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
Descriptor: Histone H3K9pr, Transcription initiation factor TFIID subunit 14
Authors:Klein, B.J, Andrews, F.H, Vann, K.R, Kutateladze, T.G.
Deposit date:2018-09-19
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: Histone H3K9bu, Transcription initiation factor TFIID subunit 14
Authors:Klein, B.J, Andrews, F.H, Vann, K.R, Kutateladze, T.G.
Deposit date:2018-09-19
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: DI(HYDROXYETHYL)ETHER, Transcription initiation factor TFIID subunit 14
Authors:Klein, B.J, Andrews, F.H, Kutateladze, T.G.
Deposit date:2018-09-19
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Anamorsin, MERCURY (II) ION
Authors:Song, G, Liu, Z.-J.
Deposit date:2013-08-12
Release date:2013-10-30
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.801 Å)
Cite: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
Descriptor: 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, ...
Authors:Mi, W, Walz, T, Liao, M.
Deposit date:2016-11-08
Release date:2017-09-20
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite: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
Descriptor: CXXC-type zinc finger protein 4, CpG DNA, UNKNOWN ATOM OR ION, ...
Authors:Liu, K, Xu, C, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-03-31
Release date:2017-06-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: CALCIUM ION, Spike protein S2',pan-CoVs inhibitor EK1
Authors:Zhu, Y, Yang, X, Sun, F.
Deposit date:2020-05-19
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.278 Å)
Cite: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)
Descriptor: ADP-ribosylation factor-like protein 8B, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Qiu, X.H, Pan, L.F.
Deposit date:2023-05-10
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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)
Descriptor: ADP-ribosylation factor-like protein 8B, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Qiu, X.H, Pan, L.F.
Deposit date:2023-05-10
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: E3 ubiquitin-protein ligase UHRF1, SULFATE ION
Authors: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)
Deposit date:2008-05-30
Release date:2008-09-16
Last modified:2012-04-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: E3 ubiquitin-protein ligase UHRF1, Trimethylated histone H3-K9 peptide
Authors: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)
Deposit date:2008-05-30
Release date:2008-09-16
Last modified:2012-04-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: Methyl-CpG-binding domain protein 1, UNKNOWN ATOM OR ION, ZINC ION, ...
Authors:Liu, K, Xu, C, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-06-23
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 39F7 Fab heavy chain, ...
Authors:Johnstone, S, Min, X, Wang, Z.
Deposit date:2017-07-18
Release date:2018-07-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Lee, S.H, Baek, K, Li, Y, Dominguez, R.
Deposit date:2008-08-13
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.499 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, MBP tagged hMNDA-PYD, ...
Authors:Jin, T.C, Xiao, T.S.
Deposit date:2016-11-23
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.648 Å)
Cite: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
Descriptor: (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, ...
Authors: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)
Deposit date:2011-12-02
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: 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
Authors: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.
Deposit date:2019-12-18
Release date:2020-06-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.033 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1
Authors:Ren, Y, Yang, X, Shen, Y.Q.
Deposit date:2020-12-30
Release date:2022-01-05
Last modified:2023-01-25
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1
Authors:Ren, Y, Yang, X, Shen, Y.Q.
Deposit date:2020-12-30
Release date:2022-01-05
Last modified:2023-01-25
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1
Authors:Ren, Y, Yang, X, Shen, Y.Q.
Deposit date:2020-12-30
Release date:2022-01-05
Last modified:2023-01-25
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: MBP-hMNDA-PYD, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Jin, T.C, Xiao, T.S.
Deposit date:2016-11-22
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design of an expression system to enhance MBP-mediated crystallization
Sci Rep, 7, 2017

223532

数据于2024-08-07公开中

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