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6IAK
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BU of 6iak by Molmil
The crystal structure of the chicken CREB3 bZIP
分子名称: Uncharacterized protein
著者Sabaratnam, K, Renner, M.
登録日2018-11-26
公開日2019-12-11
最終更新日2020-06-24
実験手法X-RAY DIFFRACTION (3.95 Å)
主引用文献Insights from the crystal structure of the chicken CREB3 bZIP suggest that members of the CREB3 subfamily transcription factors may be activated in response to oxidative stress.
Protein Sci., 28, 2019
4KYE
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BU of 4kye by Molmil
Partial Structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to MBP.
分子名称: Maltose-binding periplasmic protein, Phosphoprotein, chimeric construct, ...
著者Yegambaram, K, Bulloch, E.M.M, Kingston, R.L.
登録日2013-05-28
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Protein domain definition should allow for conditional disorder.
Protein Sci., 22, 2013
4KYD
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BU of 4kyd by Molmil
Partial Structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to MBP.
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Maltose-binding periplasmic protein, Phosphoprotein, ...
著者Yegambaram, K, Bulloch, E.M.M, Kingston, R.L.
登録日2013-05-28
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Protein domain definition should allow for conditional disorder.
Protein Sci., 22, 2013
4KYC
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BU of 4kyc by Molmil
Structure of the C-terminal domain of the Menangle virus phosphoprotein, fused to MBP.
分子名称: 1,2-ETHANEDIOL, BORIC ACID, Maltose-binding periplasmic protein, ...
著者Yegambaram, K, Bulloch, E.M.M, Kingston, R.L.
登録日2013-05-28
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Protein domain definition should allow for conditional disorder.
Protein Sci., 22, 2013
3POK
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BU of 3pok by Molmil
Interleukin-1-beta LBT L3 Mutant
分子名称: Interleukin-1 beta
著者Barthelmes, K, Reynolds, A.M, Peisach, E, Jonker, H.R.A, DeNunzio, N.J, Allen, K.N, Imperiali, B, Schwalbe, H.
登録日2010-11-22
公開日2011-01-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering encodable lanthanide-binding tags into loop regions of proteins.
J.Am.Chem.Soc., 133, 2011
1ZIT
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BU of 1zit by Molmil
Structure of the receiver domain of NtrC4 from Aquifex aeolicus
分子名称: transcriptional regulator (NtrC family)
著者Matsubara, K, Pelton, J.G, Wemmer, D.E.
登録日2005-04-27
公開日2006-05-09
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure and consequences of activiation of the receiver domain of NtrC4 from Aquifex aeolicus
To be Published
5M5B
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BU of 5m5b by Molmil
Crystal structure of Zika virus NS5 methyltransferase
分子名称: CHLORIDE ION, GLYCEROL, NS5 methyltransferase, ...
著者Barral, K, Ortiz Lombardia, M, Coutard, B, Decroly, E, Lichiere, J.
登録日2016-10-21
公開日2016-12-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Zika Virus Methyltransferase: Structure and Functions for Drug Design Perspectives.
J. Virol., 91, 2017
5EC8
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DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND COMPOUND BF175
分子名称: 2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid, Genome polyprotein, S-ADENOSYLMETHIONINE
著者Barral, K, Bricogne, G, Sharff, A.
登録日2015-10-20
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.714 Å)
主引用文献Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5E9Q
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DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF174
分子名称: 2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid, Genome polyprotein, S-ADENOSYLMETHIONINE
著者Barral, K, Bricogne, G, Sharff, A.
登録日2015-10-15
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5EIF
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DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB2C3
分子名称: 2-azanyl-4-methyl-benzoic acid, Genome polyprotein, S-ADENOSYLMETHIONINE
著者Barral, K, Bricogne, G, Sharff, A.
登録日2015-10-29
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5EHG
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DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF341
分子名称: 4-[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonyloxybenzoic acid, RNA-directed RNA polymerase NS5, S-ADENOSYLMETHIONINE
著者Barral, K, Bricogne, G, Sharff, A.
登録日2015-10-28
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5EKX
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BU of 5ekx by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYLMETHIONINE AND FRAGMENT NB2E11
分子名称: 4-chloro-5-methylbenzene-1,2-diamine, NS5 METHYLTRANSFERASE, S-ADENOSYLMETHIONINE
著者Barral, K, Bricogne, G, Sharff, A.
登録日2015-11-04
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5EHI
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BU of 5ehi by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF287
分子名称: 4-[[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonylamino]benzoic acid, NS5 methyltransferase dengue virus, S-ADENOSYLMETHIONINE
著者Barral, K, Bricogne, G, Sharff, A.
登録日2015-10-28
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.303 Å)
主引用文献Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5EIW
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BU of 5eiw by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB3C2
分子名称: 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, NS5 methyltransferase, S-ADENOSYLMETHIONINE
著者Barral, K, Bricogne, G, Sharff, A.
登録日2015-10-30
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.611 Å)
主引用文献Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
4CTK
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BU of 4ctk by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT 2A4
分子名称: DIMETHYL SULFOXIDE, POLYPROTEIN, S-ADENOSYLMETHIONINE, ...
著者Barral, K, Bricogne, G, Sharff, A.
登録日2014-03-14
公開日2014-04-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Assessment of Dengue Virus Helicase and Methyltransferase as Targets for Fragment-Based Drug Discovery.
Antiviral Res., 106, 2014
4CTJ
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BU of 4ctj by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT 3A9
分子名称: 2,3-dihydro-1-benzofuran-5-carboxylic acid, NON-STRUCTURAL PROTEIN 5, S-ADENOSYLMETHIONINE, ...
著者Barral, K, Bricogne, G, Sharff, A.
登録日2014-03-14
公開日2014-04-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Assessment of Dengue Virus Helicase and Methyltransferase as Targets for Fragment-Based Drug Discovery.
Antiviral Res., 106, 2014
2AGV
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BU of 2agv by Molmil
Crystal structure of the SR CA2+-ATPASE with BHQ and TG
分子名称: 2,5-DITERT-BUTYLBENZENE-1,4-DIOL, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ...
著者Toyoshima, C, Obara, K, Norimatsu, Y.
登録日2005-07-27
公開日2005-10-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Inaugural Article: Structural role of countertransport revealed in Ca2+ pump crystal structure in the absence of Ca2+.
Proc.Natl.Acad.Sci.USA, 102, 2005
1U3O
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BU of 1u3o by Molmil
Solution structure of rat Kalirin N-terminal SH3 domain
分子名称: Huntingtin-associated protein-interacting protein
著者Schiller, M.R, Chakrabarti, K, King, G.F, Schiller, N.I, Eipper, B.A, Maciejewski, M.W.
登録日2004-07-22
公開日2005-07-26
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Regulation of RhoGEF Activity by Intramolecular and Intermolecular SH3 Domain Interactions.
J.Biol.Chem., 281, 2006
6VC1
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BU of 6vc1 by Molmil
Octreotide oxalate
分子名称: OXALATE ION, Octreotide
著者Spiliopoulou, M, Karavassili, F, Triandafillidis, D, Valmas, A, Kosinas, C, Fili, S, Barlos, K, Barlos, K.K, Morin, M, Reinle-Schmitt, M, Gozzo, F, Margiolaki, I.
登録日2019-12-20
公開日2020-12-23
最終更新日2021-05-19
実験手法POWDER DIFFRACTION
主引用文献New perspectives in macromolecular powder diffraction using single-photon-counting strip detectors: high-resolution structure of the pharmaceutical peptide octreotide.
Acta Crystallogr.,Sect.A, 77, 2021
5JH7
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BU of 5jh7 by Molmil
Tubulin-Eribulin complex
分子名称: (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Doodhi, H, Prota, A.E, Rodriguez-Garcia, R, Xiao, H, Custar, D.W, Bargsten, K, Katrukha, E.A, Hilbert, M, Hua, S, Jiang, K, Grigoriev, I, Yang, C.-P.H, Cox, D, Band Horwitz, S, Kapitein, L.C, Akhmanova, A, Steinmetz, M.O.
登録日2016-04-20
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Termination of Protofilament Elongation by Eribulin Induces Lattice Defects that Promote Microtubule Catastrophes.
Curr.Biol., 26, 2016
5MF4
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Tubulin-Dictyostatin complex
分子名称: (3~{Z},5~{E},7~{R},8~{S},10~{S},11~{Z},13~{S},14~{R},15~{S},17~{S},20~{R},21~{S},22~{S})-22-[(2~{S},3~{Z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Trigili, C, Barasoain, I, Sanchez-Murcia, P.A, Bargsten, K, Redondo-Horcajo, M, Nogales, A, Gardner, N.M, Meyer, A, Naylor, G.J, Gomez-Rubio, E, Gago, F, Steinmetz, M.O, Paterson, I, Prota, A.E, Diaz, J.F.
登録日2016-11-17
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Determinants of the Dictyostatin Chemotype for Tubulin Binding Affinity and Antitumor Activity Against Taxane- and Epothilone-Resistant Cancer Cells.
ACS Omega, 1, 2016
6BK0
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BU of 6bk0 by Molmil
Crystal structure of Os79 Q202A from O. sativa in complex with UDP.
分子名称: UDP-glycosyltransferase 79, URIDINE-5'-DIPHOSPHATE
著者Wetterhorn, K, Gabardi, K, Rayment, I.
登録日2017-11-07
公開日2017-11-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Determinants and Expansion of Specificity in a Trichothecene UDP-Glucosyltransferase from Oryza sativa.
Biochemistry, 56, 2017
8AAK
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Crystal structure of the PDZ tandem of syntenin in complex with compound 29
分子名称: (2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid, GLYCEROL, Syntenin-1
著者Feracci, M, Barral, K.
登録日2022-07-01
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.554 Å)
主引用文献Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
8AAP
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Crystal structure of the PDZ tandem of syntenin in complex with compound SYNTi
分子名称: (2S)-2-[[(2S)-2-(6-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]propanoyl]amino]propanoic acid, Syntenin-1
著者Feracci, M, Barral, K.
登録日2022-07-01
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
8AAO
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Crystal structure of the PDZ tandem of syntenin in complex with compound 95
分子名称: (2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid, Syntenin-1
著者Feracci, M, Barral, K.
登録日2022-07-01
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.469 Å)
主引用文献Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023

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