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PDB: 1158 件

5C84
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Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 20
分子名称: (2R,5R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
登録日2015-06-25
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
5C0L
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Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 2
分子名称: 4-(4-bromo-1H-pyrazol-1-yl)piperidinium, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
登録日2015-06-12
公開日2015-08-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
5C3K
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Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 4
分子名称: (2S)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
登録日2015-06-17
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
5C7B
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Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 5
分子名称: (2R)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
登録日2015-06-24
公開日2015-08-12
最終更新日2015-09-09
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
5C0K
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Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 3
分子名称: (2S)-1-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase XIAP, ...
著者Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
登録日2015-06-12
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
5CWF
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Crystal structure of de novo designed helical repeat protein DHR8
分子名称: CALCIUM ION, Designed helical repeat protein
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWQ
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BU of 5cwq by Molmil
Crystal structure of de novo designed helical repeat protein DHR81
分子名称: 1,2-ETHANEDIOL, Designed helical repeat protein, GLYCEROL, ...
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2016-01-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWJ
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Crystal structure of de novo designed helical repeat protein DHR49
分子名称: Designed helical repeat protein
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWP
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BU of 5cwp by Molmil
Crystal structure of de novo designed helical repeat protein DHR79
分子名称: Designed helical repeat protein
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWL
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BU of 5cwl by Molmil
Crystal structure of de novo designed helical repeat protein DHR54
分子名称: Designed helical repeat protein, SODIUM ION, TETRAETHYLENE GLYCOL, ...
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWH
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BU of 5cwh by Molmil
Crystal structure of de novo designed helical repeat protein DHR14
分子名称: 1,2-ETHANEDIOL, Designed helical repeat protein
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWN
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BU of 5cwn by Molmil
Crystal structure of de novo designed helical repeat protein DHR71
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Designed helical repeat protein, TETRAETHYLENE GLYCOL
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5E5N
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BU of 5e5n by Molmil
Ketosynthase from module 6 of the bacillaene synthase from Bacillus subtilis 168 (C167S mutant, crystal form 1)
分子名称: Polyketide synthase PksL
著者Wagner, D.T, Gay, D.C, Keatinge-Clay, A.T.
登録日2015-10-08
公開日2015-11-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The LINKS motif zippers trans-acyltransferase polyketide synthase assembly lines into a biosynthetic megacomplex.
J.Struct.Biol., 193, 2016
5E6K
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BU of 5e6k by Molmil
Ketosynthase from module 6 of the bacillaene synthase from Bacillus subtilis 168 (C167S mutant, crystal form 2)
分子名称: Polyketide synthase PksL, SULFATE ION
著者Wagner, D.T, Gay, D.C, Keatinge-Clay, A.T.
登録日2015-10-10
公開日2015-11-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献The LINKS motif zippers trans-acyltransferase polyketide synthase assembly lines into a biosynthetic megacomplex.
J.Struct.Biol., 193, 2016
5DPD
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BU of 5dpd by Molmil
The structure of PKMT1 from Rickettsia prowazekii in complex with AdoMet
分子名称: S-ADENOSYLMETHIONINE, protein lysine methyltransferase 1
著者Noinaj, N, Abeykoon, A, He, Y, Yang, D.C, Buchanan, S.K.
登録日2015-09-12
公開日2016-08-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Insights into Substrate Recognition and Catalysis in Outer Membrane Protein B (OmpB) by Protein-lysine Methyltransferases from Rickettsia.
J.Biol.Chem., 291, 2016
5DO0
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BU of 5do0 by Molmil
The structure of PKMT1 from Rickettsia prowazekii
分子名称: protein lysine methyltransferase 1
著者Noinaj, N, Abeykoon, A, He, Y, Yang, D.C, Buchanan, S.K.
登録日2015-09-10
公開日2016-08-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Insights into Substrate Recognition and Catalysis in Outer Membrane Protein B (OmpB) by Protein-lysine Methyltransferases from Rickettsia.
J.Biol.Chem., 291, 2016
5DD1
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BU of 5dd1 by Molmil
Crystal structures in an anti-HIV antibody lineage from immunization of Rhesus macaques
分子名称: ANTI-HIV ANTIBODY DH570 FAB HEAVY CHAIN, ANTI-HIV ANTIBODY DH570 FAB LIGHT CHAIN
著者Zhang, R, Verkoczy, L, Wiehe, K, Alam, S.M, Nicely, N.I, Santra, S, Bradley, T, Pemble, C, Gao, F, Montefiori, D.C, Bouton-Verville, H, Kelsoe, G, Parks, R, Foulger, A, Tomaras, G, Keple, T.B, Moody, M.A, Liao, H.-X, Haynes, B.F.
登録日2015-08-24
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.597 Å)
主引用文献Initiation of immune tolerance-controlled HIV gp41 neutralizing B cell lineages.
Sci Transl Med, 8, 2016
5CWB
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BU of 5cwb by Molmil
Crystal structure of de novo designed helical repeat protein DHR4
分子名称: Designed helical repeat protein
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-27
公開日2015-12-16
最終更新日2016-01-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWK
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BU of 5cwk by Molmil
Crystal structure of de novo designed helical repeat protein DHR53
分子名称: Designed helical repeat protein
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWG
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BU of 5cwg by Molmil
Crystal structure of de novo designed helical repeat protein DHR10
分子名称: 1,2-ETHANEDIOL, Designed helical repeat protein, UNKNOWN LIGAND
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWD
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Crystal structure of de novo designed helical repeat protein DHR7
分子名称: Designed helical repeat protein
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWI
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BU of 5cwi by Molmil
Crystal structure of de novo designed helical repeat protein DHR18
分子名称: Designed helical repeat protein, PHOSPHATE ION
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2016-01-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CYY
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BU of 5cyy by Molmil
Structure of the C-terminal domains of DipZ from Mycobacterium tuberculosis
分子名称: Protein DipZ
著者Goldstone, D.C, Metcalf, P, Baker, E.N, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
登録日2015-07-31
公開日2016-01-13
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the ectodomain of the electron transporter Rv2874 from Mycobacterium tuberculosis reveals a thioredoxin-like domain combined with a carbohydrate-binding module.
Acta Crystallogr D Struct Biol, 72, 2016
5DOO
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BU of 5doo by Molmil
The structure of PKMT2 from Rickettsia typhi
分子名称: CALCIUM ION, protein lysine methyltransferase 2
著者Noinaj, N, Abeykoon, A, He, Y, Yang, D.C, Buchanan, S.K.
登録日2015-09-11
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.133 Å)
主引用文献Structural Insights into Substrate Recognition and Catalysis in Outer Membrane Protein B (OmpB) by Protein-lysine Methyltransferases from Rickettsia.
J.Biol.Chem., 291, 2016
5EQL
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BU of 5eql by Molmil
Isoform-specific inhibition of SUMO-dependent protein-protein interactions
分子名称: SUMO-Affirmer-S2D5, Small ubiquitin-related modifier 2
著者Hughes, D.J, Tiede, C, Hall, N, Tang, A.A.S, Trinh, C.H, Zajac, K, Mandal, U, Howell, G, Edwards, T.A, McPherson, M.J, Tomlinson, D.C, Whitehouse, A.
登録日2015-11-13
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Generation of specific inhibitors of SUMO-1- and SUMO-2/3-mediated protein-protein interactions using Affimer (Adhiron) technology.
Sci Signal, 10, 2017

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件を2024-08-07に公開中

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