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1JVP
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BU of 1jvp by Molmil
Crystal structure of human CDK2 (unphosphorylated) in complex with PKF049-365
分子名称: 3-pyridin-4-yl-2,4-dihydroindeno[1,2-c]pyrazole, Cell division protein kinase 2
著者Rondeau, J.M.
登録日2001-08-31
公開日2001-12-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structure-based design and protein X-ray analysis of a protein kinase inhibitor.
Bioorg.Med.Chem.Lett., 12, 2002
7UWM
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BU of 7uwm by Molmil
Structure of the IL-17A-IL-17RA binary complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, ...
著者Wilson, S.C, Caveney, N.A, Jude, K.M, Garcia, K.C.
登録日2022-05-03
公開日2022-07-27
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Organizing structural principles of the IL-17 ligand-receptor axis.
Nature, 609, 2022
3N8B
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BU of 3n8b by Molmil
Crystal Structure of Borrelia burgdorferi Pur-alpha
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein
著者Graebsch, A, Roche, S, Kostrewa, D, Niessing, D.
登録日2010-05-28
公開日2010-10-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Of bits and bugs--on the use of bioinformatics and a bacterial crystal structure to solve a eukaryotic repeat-protein structure.
Plos One, 5, 2010
1TIV
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BU of 1tiv by Molmil
STRUCTURAL STUDIES OF HIV-1 TAT PROTEIN
分子名称: HIV-1 TRANSACTIVATOR PROTEIN
著者Bayer, P, Kraft, M, Frank, R, Roesch, P.
登録日1995-02-14
公開日1995-07-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural studies of HIV-1 Tat protein.
J.Mol.Biol., 247, 1995
8BFC
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BU of 8bfc by Molmil
Binary structure of 14-3-3s and RND3 phosphopeptide
分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
著者Somsen, B.A, Ottmann, C.
登録日2022-10-24
公開日2023-03-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
6IPU
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BU of 6ipu by Molmil
Human nucleosome core particle containing 145 bp of DNA
分子名称: CHLORIDE ION, DNA (145-MER), Histone H2A type 1-B/E, ...
著者DeFalco, L, Davey, C.A.
登録日2018-11-04
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019
6WDQ
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BU of 6wdq by Molmil
IL23/IL23R/IL12Rb1 signaling complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 receptor subunit beta-1, ...
著者Jude, K.M, Ely, L.K, Glassman, C.R, Thomas, C, Spangler, J.B, Lupardus, P.J, Garcia, K.C.
登録日2020-04-01
公開日2021-02-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural basis for IL-12 and IL-23 receptor sharing reveals a gateway for shaping actions on T versus NK cells.
Cell, 184, 2021
3DDP
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BU of 3ddp by Molmil
Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor CR8
分子名称: (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cell division protein kinase 2, Cyclin-A2
著者Echalier, A, Endicott, J.A.
登録日2008-06-06
公開日2008-07-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases.
Oncogene, 27, 2008
6WEO
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BU of 6weo by Molmil
IL-22 Signaling Complex with IL-22R1 and IL-10Rbeta
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Saxton, R.A, Jude, K.M, Henneberg, L.T, Garcia, K.C.
登録日2020-04-02
公開日2021-04-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The tissue protective functions of interleukin-22 can be decoupled from pro-inflammatory actions through structure-based design.
Immunity, 54, 2021
8GF8
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BU of 8gf8 by Molmil
Cryo-EM structure of human TRPV1 in cNW11 nanodisc and soybean lipids
分子名称: (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, ...
著者Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
登録日2023-03-07
公開日2023-05-10
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Human TRPV1 structure and inhibition by the analgesic SB-366791.
Nat Commun, 14, 2023
8GF9
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BU of 8gf9 by Molmil
Cryo-EM structure of human TRPV1 in cNW11 nanodisc and POPC:POPE:POPG lipids
分子名称: (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, ...
著者Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
登録日2023-03-07
公開日2023-05-10
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献Human TRPV1 structure and inhibition by the analgesic SB-366791.
Nat Commun, 14, 2023
8GFA
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BU of 8gfa by Molmil
Cryo-EM structure of human TRPV1 in complex with the analgesic drug SB-366791
分子名称: (2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ...
著者Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
登録日2023-03-07
公開日2023-05-10
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.29 Å)
主引用文献Human TRPV1 structure and inhibition by the analgesic SB-366791.
Nat Commun, 14, 2023
4QPL
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BU of 4qpl by Molmil
Crystal structure of RNF146(RING-WWE)/UbcH5a/iso-ADPr complex
分子名称: 2'-O-(5-O-phosphono-alpha-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate), E3 ubiquitin-protein ligase RNF146, Ubiquitin-conjugating enzyme E2 D1, ...
著者Wang, Z, DaRosa, P.A, Klevit, R.E, Xu, W.
登録日2014-06-23
公開日2014-10-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Allosteric activation of the RNF146 ubiquitin ligase by a poly(ADP-ribosyl)ation signal.
Nature, 517, 2015
8C40
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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
最終更新日2024-10-16
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
最終更新日2024-10-16
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
8BTQ
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BU of 8btq by Molmil
Small molecule stabilizer for 14-3-3/ChREBP (Cmd1-soaking)
分子名称: 14-3-3 protein sigma, Carbohydrate-responsive element-binding protein, MAGNESIUM ION, ...
著者Pennings, M.A.M, Visser, E.J, Ottmann, C.
登録日2022-11-29
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular glues of the regulatory ChREBP/14-3-3 complex protect beta cells from glucolipotoxicity.
Biorxiv, 2024
8BWH
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BU of 8bwh by Molmil
Small molecule stabilizer for 14-3-3/ChREBP (Cmd 42)
分子名称: 14-3-3 protein sigma, Carbohydrate-responsive element-binding protein, MAGNESIUM ION, ...
著者Pennings, M.A.M, Visser, E.J, Ottmann, C.
登録日2022-12-06
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular glues of the regulatory ChREBP/14-3-3 complex protect beta cells from glucolipotoxicity.
Biorxiv, 2024
8BWE
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BU of 8bwe by Molmil
Small molecule stabilizer for 14-3-3/ChREBP (Cmd 43)
分子名称: 14-3-3 protein sigma, Carbohydrate-responsive element-binding protein, MAGNESIUM ION, ...
著者Visser, E.J, Pennings, M.A.M, Ottmann, C.
登録日2022-12-06
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular glues of the regulatory ChREBP/14-3-3 complex protect beta cells from glucolipotoxicity.
Biorxiv, 2024
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
7DWX
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BU of 7dwx by Molmil
Conformation 1 of S-ACE2-B0AT1 ternary complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
登録日2021-01-18
公開日2021-03-31
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (8.3 Å)
主引用文献Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
6JXD
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BU of 6jxd by Molmil
Human nucleosome core particle with cohesive end DNA termini
分子名称: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者DeFalco, L, Davey, C.A.
登録日2019-04-23
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019
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
6N7K
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BU of 6n7k by Molmil
Cryo-EM structure of tetrameric Ptch1 in complex with ShhNp (form II)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Yan, N, Gong, X, Qian, H.W.
登録日2018-11-27
公開日2019-05-29
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (6.5 Å)
主引用文献Inhibition of tetrameric Patched1 by Sonic Hedgehog through an asymmetric paradigm.
Nat Commun, 10, 2019
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2024-11-06
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

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