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6T7V
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BU of 6t7v by Molmil
KEAP1 IN COMPLEX WITH PEPTIDE 8
分子名称: ACETATE ION, Kelch-like ECH-associated protein 1, LEU-ASP-PRO-GLU-THR-GLY-GLU-PHE-LEU
著者Colarusso, S.
登録日2019-10-23
公開日2020-09-09
最終更新日2020-10-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Optimization of linear and cyclic peptide inhibitors of KEAP1-NRF2 protein-protein interaction.
Bioorg.Med.Chem., 28, 2020
8PI1
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BU of 8pi1 by Molmil
Bicyclic INCYPRO Pseudomonas fluorescens esterase
分子名称: Arylesterase, GLYCEROL, N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide
著者Kiehstaller, S, Pearce, N.M, Grossmann, T.N, Hennig, S.
登録日2023-06-20
公開日2023-11-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Covalent bicyclization of protein complexes yields durable quaternary structures.
Chem, 10, 2024
3HWN
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BU of 3hwn by Molmil
CATHEPSIN L with AZ13010160
分子名称: Cathepsin L1, Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide
著者Kenny, P, Morley, A.
登録日2009-06-18
公開日2009-09-15
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Design of selective Cathepsin inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
5HAX
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BU of 5hax by Molmil
Crystal structure of Chaetomium thermophilum Nup170 NTD-Nup53 complex
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Nucleoporin NUP170, ...
著者Lin, D.H, Mobbs, G, Hoelz, A.
登録日2015-12-31
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Architecture of the symmetric core of the nuclear pore.
Science, 352, 2016
5HB6
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BU of 5hb6 by Molmil
Crystal structure of Chaetomium thermophilum Nup145N APD T994A mutant fused to Nup145C N
分子名称: Nucleoporin NUP145, SULFATE ION
著者Lin, D.H, Stuwe, T, Hoelz, A.
登録日2015-12-31
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Architecture of the symmetric core of the nuclear pore.
Science, 352, 2016
5HAY
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BU of 5hay by Molmil
Crystal structure of Chaetomium thermophilum Nup170 CTD Y905M L1007M L1183M V1292M mutant
分子名称: Nucleoporin NUP170, SODIUM ION
著者Lin, D.H, Fan, Y, Hoelz, A.
登録日2015-12-31
公開日2016-04-20
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Architecture of the symmetric core of the nuclear pore.
Science, 352, 2016
5HB1
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BU of 5hb1 by Molmil
Crystal structure of Chaetomium thermophilum Nup170 SOL
分子名称: Nucleoporin NUP170
著者Lin, D.H, Hoelz, A.
登録日2015-12-31
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (4.007 Å)
主引用文献Architecture of the symmetric core of the nuclear pore.
Science, 352, 2016
5HB7
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BU of 5hb7 by Molmil
Crystal structure of Chaetomium thermophilum Nup53 RRM
分子名称: IODIDE ION, Nucleoporin NUP53
著者Lin, D.H, Stuwe, T, Hoelz, A.
登録日2015-12-31
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (0.819 Å)
主引用文献Architecture of the symmetric core of the nuclear pore.
Science, 352, 2016
5HB0
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BU of 5hb0 by Molmil
Crystal structure of Chaetomium thermophilum Nup170 CTD-Nup145N complex
分子名称: Nucleoporin NUP145, Nucleoporin NUP170
著者Lin, D.H, Mobbs, G, Hoelz, A.
登録日2015-12-31
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Architecture of the symmetric core of the nuclear pore.
Science, 352, 2016
5HB3
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BU of 5hb3 by Molmil
Crystal structure of Chaetomium thermophilum Nic96 SOL-Nup53 complex
分子名称: CHLORIDE ION, Nucleoporin NIC96, Nucleoporin NUP53
著者Lin, D.H, Stuwe, T, Hoelz, A.
登録日2015-12-31
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Architecture of the symmetric core of the nuclear pore.
Science, 352, 2016
5HB4
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BU of 5hb4 by Molmil
Crystal structure of Chaetomium thermophilum Nup192
分子名称: Nup192,Nucleoporin NUP192, OSMIUM ION
著者Stuwe, T, Lin, D.H, Hoelz, A.
登録日2015-12-31
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Architecture of the symmetric core of the nuclear pore.
Science, 352, 2016
5HAZ
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BU of 5haz by Molmil
Structure of Chaetomium thermophilum Nup170 CTD
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Nucleoporin NUP170, ...
著者Lin, D.H, Hoelz, A.
登録日2015-12-31
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Architecture of the symmetric core of the nuclear pore.
Science, 352, 2016
5HB8
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BU of 5hb8 by Molmil
Crystal structure of Chaetomium thermophilum Nup53 RRM (space group P3121)
分子名称: GLYCEROL, Nucleoporin NUP53, SUCCINIC ACID
著者Lin, D.H, Stuwe, T, Hoelz, A.
登録日2015-12-31
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Architecture of the symmetric core of the nuclear pore.
Science, 352, 2016
5HB5
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BU of 5hb5 by Molmil
Crystal structure of Chaetomium thermophilum Nup145N APD
分子名称: CITRATE ANION, Nucleoporin NUP145
著者Lin, D.H, Stuwe, T, Hoelz, A.
登録日2015-12-31
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Architecture of the symmetric core of the nuclear pore.
Science, 352, 2016
4BB4
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BU of 4bb4 by Molmil
ephB4 kinase domain inhibitor complex
分子名称: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
著者Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L.
登録日2012-09-19
公開日2013-02-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Optimization of a Novel Series of Potent Mutant B-Raf V600E Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013
8SWH
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BU of 8swh by Molmil
Local refinement of SARS-CoV-2 (HP-GSAS-Mut7) spike NTD in complex with TXG-0078 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TXG-0078 Fab Heavy chain, ...
著者Bangaru, B, Ward, A.
登録日2023-05-18
公開日2024-05-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Deep repertoire mining uncovers ultra-broad coronavirus neutralizing antibodies targeting multiple spike epitopes.
Cell Rep, 43, 2024
5E1E
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BU of 5e1e by Molmil
Human JAK1 kinase in complex with compound 30 at 2.30 Angstroms resolution
分子名称: 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine, DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase JAK1
著者Ferguson, A.D.
登録日2015-09-29
公開日2015-11-25
最終更新日2015-12-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of azabenzimidazoles as potent JAK1 selective inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
6EWX
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BU of 6ewx by Molmil
Structure of Pragmin pseudo-kinase reveals a dimerization mechanism to regulate protein tyrosine phosphorylation and nuclear transcription
分子名称: PEAK1-related kinase-activating pseudokinase 1, SULFATE ION
著者Gelin, M, Allemand, F, Fournet, A, Labesse, G.
登録日2017-11-06
公開日2018-01-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.771 Å)
主引用文献Dimerization of the Pragmin Pseudo-Kinase Regulates Protein Tyrosine Phosphorylation.
Structure, 26, 2018
8CHW
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BU of 8chw by Molmil
Crystal structure of human PURA (fragment Pro216-Lys280, PUR repeat III)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Transcriptional activator protein Pur-alpha
著者Janowski, R, Niessing, D.
登録日2023-02-08
公開日2024-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association.
Elife, 13, 2024
8CHT
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BU of 8cht by Molmil
Crystal structure of human PURA (fragment Glu57-Glu212, PUR repeat I and II)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Transcriptional activator protein Pur-alpha
著者Janowski, R, Niessing, D.
登録日2023-02-08
公開日2024-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association.
Elife, 13, 2024
8CHV
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BU of 8chv by Molmil
Crystal structure of human PURA (fragment Glu57-Glu212, PUR repeat I and II) R140P mutant
分子名称: Transcriptional activator protein Pur-alpha
著者Janowski, R, Niessing, D.
登録日2023-02-08
公開日2024-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association.
Elife, 13, 2024
8CHU
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BU of 8chu by Molmil
Crystal structure of human PURA repeat I-II K97E mutant
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Transcriptional activator protein Pur-alpha
著者Janowski, R, Niessing, D.
登録日2023-02-08
公開日2024-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association.
Elife, 13, 2024
4GV1
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BU of 4gv1 by Molmil
PKB alpha in complex with AZD5363
分子名称: 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide, GLYCEROL, RAC-alpha serine/threonine-protein kinase
著者Addie, M, Ballard, P, Bird, G, Buttar, D, Currie, G, Davies, B, Debreczeni, J, Dry, H, Dudley, P, Greenwood, R, Hatter, G, Jestel, A, Johnson, P.D, Kettle, J.G, Lane, C, Lamont, G, Leach, A, Luke, R.W.A, Ogilvie, D, Page, K, Pass, M, Steinbacher, S, Steuber, H, Pearson, S, Ruston, L.
登録日2012-08-30
公開日2013-02-27
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of Akt Kinases.
J.Med.Chem., 56, 2013
8TL0
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BU of 8tl0 by Molmil
Structure of activated SAVED-CHAT filament
分子名称: CHAT domain-containing protein, RNA (5'-R(*AP*AP*A)-3')
著者Bravo, J.P.K, Taylor, D.W.
登録日2023-07-26
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Type III-B CRISPR-Cas cascade of proteolytic cleavages.
Science, 383, 2024
2N8D
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BU of 2n8d by Molmil
In silico designed antimicrobial peptide Lavracin
分子名称: antimicrobial peptide Lavracin
著者Pillong, M, Blatter, M, Schneider, G.
登録日2015-10-13
公開日2017-01-18
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Rational Design of Membrane-Pore-Forming Peptides.
Small, 13, 2017

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