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7KID
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BU of 7kid by Molmil
PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 72
分子名称: (1S,2R,3aR,4S,6aR)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1H)-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ...
著者Palte, R.L.
登録日2020-10-23
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
7KIC
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BU of 7kic by Molmil
PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 34
分子名称: (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ...
著者Palte, R.L.
登録日2020-10-23
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
7KIB
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BU of 7kib by Molmil
PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 4
分子名称: (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Palte, R.L, Hayes, R.P.
登録日2020-10-23
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
5MJ3
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BU of 5mj3 by Molmil
INTERLEUKIN-23 COMPLEX WITH AN ANTAGONISTIC ALPHABODY, CRYSTAL FORM 1
分子名称: ALPHABODY MA12, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ...
著者Desmet, J, Verstraete, K, Bloch, Y, Lorent, E, Wen, Y, Devreese, B, Vandenbroucke, K, Loverix, S, Hettmann, T, Deroo, S, Somers, K, Hendrikx, P, Lasters, I, Savvides, S.N.
登録日2016-11-29
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural Basis Of Il-23 Antagonism By An Alphabody Protein Scaffold.
Nat Commun, 5, 2014
3QYW
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BU of 3qyw by Molmil
Crystal structure of ERK2 in complex with an inhibitor
分子名称: 6-(3-bromophenyl)-7H-purin-2-amine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者Gelin, M, Pochet, S, Hoh, F, Pirochi, M, Guichou, J.-F, Ferrer, J.-L, Labesse, G.
登録日2011-03-04
公開日2011-08-24
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献In-plate protein crystallization, in situ ligand soaking and X-ray diffraction.
Acta Crystallogr.,Sect.D, 67, 2011
2H24
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BU of 2h24 by Molmil
Crystal structure of human IL-10
分子名称: Interleukin-10
著者Yoon, S.I, Walter, M.R.
登録日2006-05-18
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational changes mediate interleukin-10 receptor 2 (IL-10R2) binding to IL-10 and assembly of the signaling complex.
J.Biol.Chem., 281, 2006
1JLU
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BU of 1jlu by Molmil
Crystal Structure of the Catalytic Subunit of cAMP-dependent Protein Kinase Complexed with a Phosphorylated Substrate Peptide and Detergent
分子名称: AMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ...
著者Madhusudan, Trafny, E.A, Xuong, N.-H, Adams, J.A, Ten Eyck, L.F, Taylor, S.S, Sowadski, J.M.
登録日2001-07-16
公開日2001-08-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献cAMP-dependent protein kinase: crystallographic insights into substrate recognition and phosphotransfer.
Protein Sci., 3, 1994
3QYZ
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BU of 3qyz by Molmil
Crystal structure of ERK2 in complex with an inhibitor
分子名称: 5'-azido-8-bromo-5'-deoxyadenosine, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
著者Gelin, M, Pochet, S, Hoh, F, Pirochi, M, Guichou, J.-F, Ferrer, J.-L, Labesse, G.
登録日2011-03-04
公開日2011-08-24
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献In-plate protein crystallization, in situ ligand soaking and X-ray diffraction.
Acta Crystallogr.,Sect.D, 67, 2011
4NAC
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BU of 4nac by Molmil
Crystal Structure of the N-terminal Domain of p15RS
分子名称: Regulation of nuclear pre-mRNA domain-containing protein 1A
著者Mei, K, Jin, Z, Ren, F, Wang, Y.
登録日2013-10-22
公開日2013-12-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Crystal Structure of the N-terminal Domain of p15RS
To be Published
4FU3
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BU of 4fu3 by Molmil
CID of human RPRD1B
分子名称: CHLORIDE ION, Regulation of nuclear pre-mRNA domain-containing protein 1B, UNKNOWN ATOM OR ION
著者Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Guo, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC)
登録日2012-06-28
公開日2012-08-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献CID of human RPRD1B
TO BE PUBLISHED
8C40
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BU of 8c40 by Molmil
14-3-3sigma bound to PKA-responsive ERa phosphopeptide
分子名称: 14-3-3 protein sigma, Estrogen Receptor alpha phosphopeptide, MAGNESIUM ION
著者Somsen, B.A, Ottmann, C.
登録日2022-12-30
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Molecular basis and dual ligand regulation of tetrameric estrogen receptor alpha /14-3-3 zeta protein complex.
J.Biol.Chem., 299, 2023
8C3Z
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BU of 8c3z by Molmil
14-3-3sigma bound to strep-tagged PKA-responsive ERa phosphopeptide
分子名称: 14-3-3 protein sigma, Estrogen receptor, MAGNESIUM ION
著者Somsen, B.A, Ottmann, C.
登録日2022-12-30
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Molecular basis and dual ligand regulation of tetrameric estrogen receptor alpha /14-3-3 zeta protein complex.
J.Biol.Chem., 299, 2023
8C1Y
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BU of 8c1y by Molmil
Small molecule stabilizer for 14-3-3/ChREBP (Cmd 30)
分子名称: 14-3-3 protein sigma, Carbohydrate-responsive element-binding protein, [2-[2-[[2,2-bis(fluoranyl)-2-phenyl-ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid
著者Pennings, M.A.M, Visser, E.J, Ottmann, C.
登録日2022-12-21
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular glues of the regulatory ChREBP/14-3-3 complex protect beta cells from glucolipotoxicity.
Biorxiv, 2024
5QS6
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BU of 5qs6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z44592329
分子名称: N-phenyl-N'-pyridin-3-ylurea, T-box transcription factor T
著者Newman, J.A, Gavard, A.E, Sherestha, L, Fernandez-Cid, A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-06-19
公開日2019-08-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献PanDDA analysis group deposition
To Be Published
3P4F
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BU of 3p4f by Molmil
Structural and biochemical insights into MLL1 core complex assembly and regulation.
分子名称: Histone-lysine N-methyltransferase MLL, Retinoblastoma-binding protein 5, WD repeat-containing protein 5
著者Avdic, V, Zhang, P, Lanouette, S, Groulx, A, Tremblay, V, Brunzelle, J.B, Couture, J.-F.
登録日2010-10-06
公開日2010-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and biochemical insights into MLL1 core complex assembly.
Structure, 19, 2011
2C6A
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BU of 2c6a by Molmil
Solution structure of the C4 zinc-finger domain of HDM2
分子名称: UBIQUITIN-PROTEIN LIGASE E3 MDM2, ZINC ION
著者Yu, G.W, Allen, M.D, Andreeva, A, Fersht, A.R, Bycroft, M.
登録日2005-11-08
公開日2006-01-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure of the C4 Zinc Finger Domain of Hdm2.
Protein Sci., 15, 2006
1CC0
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BU of 1cc0 by Molmil
CRYSTAL STRUCTURE OF THE RHOA.GDP-RHOGDI COMPLEX
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, rho GDP dissociation inhibitor alpha, ...
著者Longenecker, K.L, Read, P, Derewenda, U, Dauter, Z, Garrard, S, Walker, L, Somlyo, A.V, Somlyo, A.P, Nakamoto, R.K, Derewenda, Z.S.
登録日1999-03-03
公開日2000-01-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (5 Å)
主引用文献How RhoGDI binds Rho.
Acta Crystallogr.,Sect.D, 55, 1999
7UJX
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BU of 7ujx by Molmil
Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 2.4 Angstrom data
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Wych, D.C, Aoto, P.C, Wall, M.E.
登録日2022-03-31
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular-dynamics simulation methods for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
7V0G
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BU of 7v0g by Molmil
Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 1.63 Angstrom data
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Wych, D.C, Aoto, P.C, Wall, M.E.
登録日2022-05-10
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Molecular-dynamics simulation methods for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
4L0Y
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BU of 4l0y by Molmil
Crystal structure of Runx1 and Ets1 bound to TCR alpha promoter (crystal form 1)
分子名称: 5'-D(*CP*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3', 5'-D(*GP*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*T)-3', Protein C-ets-1, ...
著者Tahirov, T.H.
登録日2013-06-01
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of Ets1 activation by Runx1.
Leukemia, 28, 2014
4L18
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BU of 4l18 by Molmil
Crystal structure of Runx1 and Ets1 bound to TCR alpha promoter (crystal form 3)
分子名称: 5'-D(*CP*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3', 5'-D(*GP*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*T)-3', GLYCEROL, ...
著者Tahirov, T.H.
登録日2013-06-02
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of Ets1 activation by Runx1.
Leukemia, 28, 2014
3QB1
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BU of 3qb1 by Molmil
Interleukin-2 mutant D10
分子名称: Interleukin-2
著者Levin, A.M, Bates, D.L, Ring, A.M, Lin, J.T, Su, L, Krieg, C, Bowman, G.R, Novick, P, Pande, V.S, Khort, H.E, Boyman, O, Fathman, C.G, Garcia, K.C.
登録日2011-01-12
公開日2012-04-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Exploiting a natural conformational switch to engineer an interleukin-2 'superkine'
Nature, 484, 2012
6UIB
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BU of 6uib by Molmil
Crystal structure of IL23 bound to peptide 23-652
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ...
著者Durbin, J.D, Wang, J, Afshar, S.
登録日2019-09-30
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Integration of phage and yeast display platforms: A reliable and cost effective approach for binning of peptides as displayed on-phage.
Plos One, 15, 2020
2C6B
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BU of 2c6b by Molmil
Solution structure of the C4 zinc-finger domain of HDM2
分子名称: UBIQUITIN-PROTEIN LIGASE E3 MDM2, ZINC ION
著者Yu, G.W, Allen, M.D, Andreeva, A, Fersht, A.R, Bycroft, M.
登録日2005-11-08
公開日2006-01-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure of the C4 Zinc Finger Domain of Hdm2.
Protein Sci., 15, 2006
3QWW
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BU of 3qww by Molmil
Crystal structure of histone lysine methyltransferase SmyD2 in complex with the methyltransferase inhibitor sinefungin
分子名称: SET and MYND domain-containing protein 2, SINEFUNGIN, ZINC ION
著者Jiang, Y, Sirinupong, N, Brunzelle, J, Yang, Z.
登録日2011-02-28
公開日2011-07-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of histone and p53 methyltransferase SmyD2 reveal a conformational flexibility of the autoinhibitory C-terminal domain.
Plos One, 6, 2011

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件を2024-08-07に公開中

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