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4IJQ
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Human hypoxanthine-guanine phosphoribosyltransferase in complex with [(2-((Guanine-9H-yl)methyl)propane-1,3-diyl)bis(oxy)]bis(methylene))diphosphonic acid
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, SULFATE ION, ...
著者Guddat, L.W, Keough, D.T, Hockova, D.
登録日2012-12-22
公開日2013-03-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Acyclic nucleoside phosphonates containing a second phosphonate group are potent inhibitors of 6-oxopurine phosphoribosyltransferases and have antimalarial activity
J.Med.Chem., 56, 2013
4IJP
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Crystal Structure of Human PRPF4B kinase domain in complex with 4-{5-[(2-Chloro-pyridin-4-ylmethyl)-carbamoyl]-thiophen-2-yl}-benzo[b]thiophene-2-carboxylic acid amine
分子名称: 4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-22
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
7WVK
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BU of 7wvk by Molmil
Crystal structure of human WDR5 in complex with compound 19
分子名称: 1,2-ETHANEDIOL, 1-[2,5-bis(chloranyl)phenyl]sulfonylbenzimidazole, GLYCEROL, ...
著者Han, Q.L, Zhang, X.L, Wang, L, Ren, P.X, Cao, Y, Li, K, Bai, F.
登録日2022-02-10
公開日2022-10-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery, evaluation and mechanism study of WDR5-targeted small molecular inhibitors for neuroblastoma.
Acta Pharmacol.Sin., 44, 2023
4GM3
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Crystal structure of human WD repeat domain 5 with compound MM-101
分子名称: MM-101, WD repeat-containing protein 5
著者Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S.
登録日2012-08-15
公開日2013-07-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.393 Å)
主引用文献High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction.
J.Am.Chem.Soc., 135, 2013
4GMB
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Crystal structure of human WD repeat domain 5 with compound MM-402
分子名称: MM-402, WD repeat-containing protein 5
著者Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S.
登録日2012-08-15
公開日2014-02-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.781 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
4GO6
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BU of 4go6 by Molmil
Crystal structure of HCF-1 self-association sequence 1
分子名称: HCF C-terminal chain 1, HCF N-terminal chain 1, SULFATE ION
著者Park, J, Lammers, F, Herr, W, Song, J.
登録日2012-08-18
公開日2012-10-17
最終更新日2013-07-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献HCF-1 self-association via an interdigitated Fn3 structure facilitates transcriptional regulatory complex formation
Proc.Natl.Acad.Sci.USA, 109, 2012
5NOZ
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BU of 5noz by Molmil
Structure of cyclophilin A in complex with 3,4-diaminobenzohydrazide
分子名称: 3,4-bis(azanyl)benzohydrazide, Peptidyl-prolyl cis-trans isomerase A
著者Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D.
登録日2017-04-13
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.
J. Mol. Biol., 429, 2017
4GOY
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BU of 4goy by Molmil
The crystal structure of human fascin 1 K41A mutant
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BROMIDE ION, CHLORIDE ION, ...
著者Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y.
登録日2012-08-20
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
6TPY
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BU of 6tpy by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one, Bromodomain-containing protein 4
著者Chung, C.
登録日2019-12-15
公開日2020-01-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
7TV0
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BU of 7tv0 by Molmil
Crystal structure of BRD4 bromodomain 1 in complex with dual-acetylated SARS-CoV-2 E
分子名称: Bromodomain-containing protein 4, Envelope small membrane protein
著者Vann, K.R, Holt, T.A, Kutateladze, T.G.
登録日2022-02-03
公開日2022-07-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Binding of the SARS-CoV-2 envelope E protein to human BRD4 is essential for infection.
Structure, 30, 2022
4GNT
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BU of 4gnt by Molmil
Complex of ChREBP and 14-3-3beta
分子名称: 14-3-3 protein beta/alpha, Carbohydrate-responsive element-binding protein, SULFATE ION
著者Zhang, H, Huang, N.
登録日2012-08-17
公開日2012-10-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Crystal Structure of Carbohydrate Response Element Binding Protein (ChREBP) in complex with 14-3-3b
To be Published
7TUQ
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Crystal structure of BRD4 bromodomain 1 in complex with monoacetylated SARS-CoV-2 E
分子名称: Bromodomain-containing protein 4, Envelope small membrane protein
著者Vann, K.R, Kutateladze, T.G.
登録日2022-02-03
公開日2022-07-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Binding of the SARS-CoV-2 envelope E protein to human BRD4 is essential for infection.
Structure, 30, 2022
5N7G
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BU of 5n7g by Molmil
MAGI-1 complexed with a synthetic pRSK1 peptide
分子名称: CALCIUM ION, GLYCEROL, Membrane-associated guanylate kinase, ...
著者Gogl, G, Nyitray, L.
登録日2017-02-20
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Dynamic control of RSK complexes by phosphoswitch-based regulation.
FEBS J., 285, 2018
7UXM
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Structure of PPIA in complex with FP29092, a Helicon Polypeptide
分子名称: 1,2-ETHANEDIOL, AMINO GROUP, FP29092, ...
著者Li, K, Agarwal, S, Tokareva, O, Thomson, T, Wahl, S, Verdine, G, McGee, J.
登録日2022-05-05
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UXJ
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BU of 7uxj by Molmil
Structure of PPIA in complex with FP29102, a Helicon Polypeptide
分子名称: AMINO GROUP, FP29102, N,N'-(1,4-phenylene)diacetamide, ...
著者Li, K, Agarwal, S, Tokareva, O, Thomson, T, Wahl, S, Verdine, G, McGee, J.
登録日2022-05-05
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UXN
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BU of 7uxn by Molmil
Structure of PPIA in complex with FP29103, a Helicon Polypeptide
分子名称: FP29103, N,N'-(1,4-phenylene)diacetamide, Peptidyl-prolyl cis-trans isomerase A
著者Li, K, Agarwal, S, Tokareva, O, Thomson, T, Tattersfield, H, Wahl, S, Verdine, G, McGee, J.
登録日2022-05-05
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UPN
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BU of 7upn by Molmil
Maedi visna virus Vif in complex with CypA and E3 ubiquitin ligase
分子名称: Elongin-B, Elongin-C, Peptidyl-prolyl cis-trans isomerase A, ...
著者Hu, Y, Xiong, Y.
登録日2022-04-16
公開日2023-01-25
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis for recruitment of host CypA and E3 ubiquitin ligase by maedi-visna virus Vif.
Sci Adv, 9, 2023
4J0S
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BU of 4j0s by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
分子名称: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-01-31
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.
J.Med.Chem., 56, 2013
6TAX
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BU of 6tax by Molmil
Mouse RNF213 wild type protein
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNF213,E3 ubiquitin-protein ligase RNF213,E3 ubiquitin-protein ligase RNF213, ...
著者Ahel, J, Meinhart, A, Haselbach, D, Clausen, T.
登録日2019-10-31
公開日2020-07-01
最終更新日2021-01-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Moyamoya disease factor RNF213 is a giant E3 ligase with a dynein-like core and a distinct ubiquitin-transfer mechanism.
Elife, 9, 2020
4J19
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Structure of a novel telomere repeat binding protein bound to DNA
分子名称: CHLORIDE ION, DNA (5'-D(*CP*TP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*CP*A)-3'), ...
著者Kappei, D, Butter, F, Benda, C, Scheibe, M, Draskovic, I, Stevense, M, Lopes Novo, C, Basquin, C, Krastev, D.B, Kittler, R, Jessberger, R, Londono-Vallejo, A.J, Mann, M, Buchholz, F.
登録日2013-02-01
公開日2013-05-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献HOT1 is a mammalian direct telomere repeat-binding protein contributing to telomerase recruitment.
Embo J., 32, 2013
4H1I
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BU of 4h1i by Molmil
Structure of human thymidylate synthase at low salt conditions
分子名称: SULFATE ION, Thymidylate synthase
著者Brunn, N, Dibrov, S, Hermann, T.
登録日2012-09-10
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.095 Å)
主引用文献Analysis of mRNA recognition by human thymidylate synthase.
Biosci.Rep., 34, 2014
4HAX
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BU of 4hax by Molmil
Crystal structure of CRM1 inhibitor Ratjadone A in complex with CRM1(K579A)-Ran-RanBP1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
著者Sun, Q, Chook, Y.M.
登録日2012-09-27
公開日2013-01-09
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H9S
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Complex structure 6 of DAXX/H3.3(sub7)/H4
分子名称: Death domain-associated protein 6, Histone H3.3, Histone H4, ...
著者Elsasser, S.J, Huang, H, Lewis, P.W, Chin, J.W, Allis, D.C, Patel, D.J.
登録日2012-09-24
公開日2012-10-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献DAXX chaperone envelops an H3.3/H4 dimer dictating H3.3-specific read out
To be Published
7XI9
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BU of 7xi9 by Molmil
Cryo-EM structure of human DNMT1 (aa:351-1616) in complex with ubiquitinated H3 and hemimethylated DNA analog (CXXC-ordered form)
分子名称: DNA (5'-D(*AP*CP*TP*TP*AP*(5CM)P*GP*GP*AP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*TP*CP*(C55)P*GP*TP*AP*AP*GP*T)-3'), DNA (cytosine-5)-methyltransferase 1, ...
著者Onoda, H, Kikuchi, A, Kori, S, Yoshimi, S, Yamagata, A, Arita, K.
登録日2022-04-12
公開日2022-11-30
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.52 Å)
主引用文献Structural basis for activation of DNMT1.
Nat Commun, 13, 2022
4HB0
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Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(K541Q,K542Q,R543S,K545Q,K548Q,K579Q)-Ran-RanBP1
分子名称: CHLORIDE ION, Exportin-1, GTP-binding nuclear protein Ran, ...
著者Sun, Q, Chook, Y.M.
登録日2012-09-27
公開日2013-01-09
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013

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