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7AVG
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BU of 7avg by Molmil
Perdeuterated hen egg-white lysozyme at 100 K
分子名称: ACETATE ION, Lysozyme, NITRATE ION
著者Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E.
登録日2020-11-05
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme.
Iucrj, 8, 2021
6ZOK
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BU of 6zok by Molmil
SARS-CoV-2-Nsp1-40S complex, focused on body
分子名称: 18S ribosomal RNA, 40S ribosomal protein S11, 40S ribosomal protein S13, ...
著者Schubert, K, Karousis, E.D, Jomaa, A, Scaiola, A, Echeverria, B, Gurzeler, L.-A, Leibundgut, M, Thiel, V, Muehlemann, O, Ban, N.
登録日2020-07-07
公開日2020-07-29
最終更新日2021-02-10
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献SARS-CoV-2 Nsp1 binds the ribosomal mRNA channel to inhibit translation.
Nat.Struct.Mol.Biol., 27, 2020
6GB2
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BU of 6gb2 by Molmil
Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM. This file contains the 39S ribosomal subunit.
分子名称: 'Mitochondrial ribosomal protein L30, 'Mitochondrial ribosomal protein L55, 'Mitochondrial ribosomal protein L59, ...
著者Kummer, E, Leibundgut, M, Boehringer, D, Ban, N.
登録日2018-04-13
公開日2018-08-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM.
Nature, 560, 2018
6GAW
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BU of 6gaw by Molmil
Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM. This file contains the complete 55S ribosome.
分子名称: 12S ribosomal RNA, mitochondrial, 16S ribosomal RNA, ...
著者Kummer, E, Leibundgut, M, Boehringer, D, Ban, N.
登録日2018-04-13
公開日2018-08-22
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM.
Nature, 560, 2018
6GAZ
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BU of 6gaz by Molmil
Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM. This file contains the 28S ribosomal subunit.
分子名称: 12S ribosomal RNA, mitochondrial, 28S ribosomal protein S18b, ...
著者Kummer, E, Leibundgut, M, Boehringer, D, Ban, N.
登録日2018-04-13
公開日2018-08-08
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM.
Nature, 560, 2018
6E57
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BU of 6e57 by Molmil
Bacteroides ovatus mixed-linkage glucan utilization locus (MLGUL) SGBP-B in complex with mixed-linkage heptasaccharide
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, SODIUM ION, ...
著者Koropatkin, N.M, Schnizlein, M, Bahr, C.M.E.
登録日2018-07-19
公開日2019-05-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Surface glycan-binding proteins are essential for cereal beta-glucan utilization by the human gut symbiont Bacteroides ovatus.
Cell.Mol.Life Sci., 76, 2019
6BPH
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BU of 6bph by Molmil
Crystal structure of the chromodomain of RBBP1
分子名称: AT-rich interactive domain-containing protein 4A, UNKNOWN ATOM OR ION
著者Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-11-23
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of chromo barrel domain of RBBP1.
Biochem. Biophys. Res. Commun., 496, 2018
6C1Y
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BU of 6c1y by Molmil
mbd of human mecp2 in complex with methylated DNA
分子名称: 12-mer DNA, Methyl-CpG-binding protein 2, UNKNOWN ATOM OR ION
著者Liu, K, Bian, C, Tempel, W, Wernimont, A.K, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2018-01-05
公開日2018-02-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Plasticity at the DNA recognition site of the MeCP2 mCG-binding domain.
Biochim Biophys Acta Gene Regul Mech, 1862, 2019
5F9E
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BU of 5f9e by Molmil
Structure of Protein Kinase C theta with compound 10: 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one
分子名称: 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one, Protein kinase C theta type
著者Klein, M.
登録日2015-12-09
公開日2016-05-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and optimization of 1,7-disubstituted-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-ones as potent and selective PKC theta inhibitors.
Bioorg.Med.Chem., 24, 2016
3D0Z
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BU of 3d0z by Molmil
Structural charcaterization of an engineered allosteric protein
分子名称: GLUTATHIONE, Glutathione S-transferase class-mu 26 kDa isozyme
著者Sagermann, M.
登録日2008-05-02
公開日2009-02-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Using affinity chromatography to engineer and characterize pH-dependent protein switches.
Protein Sci., 18, 2009
5VFC
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BU of 5vfc by Molmil
WDR5 bound to inhibitor MM-589
分子名称: 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ...
著者Stuckey, J.A.
登録日2017-04-07
公開日2017-06-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J. Med. Chem., 60, 2017
7YT9
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BU of 7yt9 by Molmil
crystal structure of AGD1-4 of Arabidopsis AGDP3
分子名称: AGD1-4 of Arabidopsis AGDP3
著者Zhou, X, Du, J.
登録日2022-08-13
公開日2022-10-12
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The H3K9me2-binding protein AGDP3 limits DNA methylation and transcriptional gene silencing in Arabidopsis.
J Integr Plant Biol, 64, 2022
7YTA
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BU of 7yta by Molmil
crystal structure of NtAGDP3 AGD1-2 in complex with an H3K9me2 peptide
分子名称: AGDP3 AGD1-2, H3(1-15)K9me2 peptide
著者Zhou, X, Du, J.
登録日2022-08-13
公開日2022-10-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献The H3K9me2-binding protein AGDP3 limits DNA methylation and transcriptional gene silencing in Arabidopsis.
J Integr Plant Biol, 64, 2022
6KIW
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BU of 6kiw by Molmil
Cryo-EM structure of human MLL3-ubNCP complex (4.0 angstrom)
分子名称: DNA (144-MER), DNA (145-MER), Histone H2A, ...
著者Huang, J, Xue, H, Yao, T.
登録日2019-07-20
公開日2019-09-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis of nucleosome recognition and modification by MLL methyltransferases.
Nature, 573, 2019
6LI1
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BU of 6li1 by Molmil
Crystal structure of GPR52 ligand free form with flavodoxin fusion
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera of G-protein coupled receptor 52 and Flavodoxin, DI(HYDROXYETHYL)ETHER, ...
著者Luo, Z.P, Lin, X, Xu, F, Han, G.W.
登録日2019-12-10
公開日2020-02-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020
8K8C
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BU of 8k8c by Molmil
Crystal structure of C/EBPalpha BZIP domain bound to a high affinity DNA
分子名称: CCAAT/enhancer-binding protein alpha, DNA (5'-D(*CP*AP*TP*TP*AP*CP*GP*TP*AP*AP*TP*GP*A)-3'), DNA (5'-D(*CP*AP*TP*TP*AP*CP*GP*TP*AP*AP*TP*GP*T)-3'), ...
著者Min, J.R, Chen, S.Z, Liu, K.
登録日2023-07-29
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural basis for specific DNA sequence recognition by the transcription factor NFIL3.
J.Biol.Chem., 300, 2024
2RGX
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BU of 2rgx by Molmil
Crystal Structure of Adenylate Kinase from Aquifex Aeolicus in complex with Ap5A
分子名称: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ZINC ION
著者Thai, V, Wolf-Watz, M, Fenn, T, Pozharski, E, Wilson, M.A, Petsko, G.A, Kern, D.
登録日2007-10-05
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Intrinsic motions along an enzymatic reaction trajectory.
Nature, 450, 2007
2RH5
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BU of 2rh5 by Molmil
Structure of Apo Adenylate Kinase from Aquifex Aeolicus
分子名称: Adenylate kinase
著者Thai, V, Wolf-Watz, M, Fenn, T, Pozharski, E, Wilson, M.A, Petsko, G.A, Kern, D.
登録日2007-10-05
公開日2007-12-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Intrinsic motions along an enzymatic reaction trajectory.
Nature, 450, 2007
5T1I
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BU of 5t1i by Molmil
CBX3 chromo shadow domain in complex with histone H3 peptide
分子名称: Chromobox protein homolog 3, Histone H3.1, UNKNOWN ATOM OR ION
著者Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2016-08-19
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Peptide recognition by heterochromatin protein 1 (HP1) chromoshadow domains revisited: Plasticity in the pseudosymmetric histone binding site of human HP1.
J. Biol. Chem., 292, 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
2HY8
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BU of 2hy8 by Molmil
PAK1 complex with ST2001
分子名称: (5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-5-METHYL-7-(METHYLAMINO)-6,7,8,9-TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15-TRIAZADIBENZO[ B,H]CYCLONONA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACEN-14-ONE, Serine/threonine-protein kinase PAK 1
著者Schulze-Gahmen, U, Lu, H.
登録日2006-08-04
公開日2006-11-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Complex Between Human Pak1-kinase and 3-Hydroxystaurosporine
To be Published
4Z3C
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BU of 4z3c by Molmil
Zinc finger region of human TET3 in complex with CpG DNA
分子名称: DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), Methylcytosine dioxygenase, UNKNOWN ATOM OR ION, ...
著者Liu, K, Xu, C, Tempel, W, Dong, A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2015-03-31
公開日2015-04-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 2017
4WVT
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BU of 4wvt by Molmil
Crystal structure of XIAP-BIR2 domain complexed with ligand bound
分子名称: 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Pokross, M.E.
登録日2014-11-07
公開日2015-03-04
最終更新日2015-04-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity.
J.Med.Chem., 58, 2015
4WVU
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BU of 4wvu by Molmil
CRYSTAL STRUCTURE OF XIAP-BIR2 DOMAIN COMPLEXED WITH LIGAND BOUND
分子名称: 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, GLYCEROL, ...
著者Pokross, M.E.
登録日2014-11-07
公開日2015-03-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity.
J.Med.Chem., 58, 2015
4WVS
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BU of 4wvs by Molmil
Crystal structure of XIAP-BIR2 domain complexed with (S)-3-(4-methoxyphenyl)-2-((S)-2-((S)-1-((S)-2-((S)-2-(methylamino)propanamido)pent-4-ynoyl)pyrrolidine-2-carboxamido)-3-phenylpropanamido)propanoic acid
分子名称: 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, GLYCEROL, ...
著者Pokross, M.E.
登録日2014-11-07
公開日2015-05-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity.
J.Med.Chem., 58, 2015

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