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4ALV
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BU of 4alv by Molmil
Benzofuropyrimidinone Inhibitors of Pim-1
分子名称: 8-bromo-2-{2-chloro-4-[(piperidin-4-ylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1
著者Stout, T.J, Adams, L.
登録日2012-03-05
公開日2013-01-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
6KPB
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BU of 6kpb by Molmil
The crystal structure of the JACKDAW/IDD10 bound to the homodimeric SCL3
分子名称: DI(HYDROXYETHYL)ETHER, Peptide from Zinc finger protein JACKDAW, Scarecrow-like protein 3
著者Hirano, Y, Hakoshima, T.
登録日2019-08-15
公開日2020-09-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the SCL3 homodimer bound to the BIRD/IDD transcription factor
To Be Published
4XT9
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BU of 4xt9 by Molmil
RORgamma (263-509) complexed with GSK2435341A and SRC2
分子名称: LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, N-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
著者Wang, Y, Ma, Y.
登録日2015-01-23
公開日2015-08-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of N-(4-aryl-5-aryloxy-thiazol-2-yl)-amides as potent ROR gamma t inverse agonists
Bioorg.Med.Chem., 23, 2015
4XUH
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BU of 4xuh by Molmil
PPARgamma ligand binding domain in complex with sulindac sulfide
分子名称: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid, Peroxisome proliferator-activated receptor gamma
著者Puhl, A.C, Polikaporv, I, Webb, P.
登録日2015-01-25
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Mechanisms of peroxisome proliferator activated receptor gamma regulation by non-steroidal anti-inflammatory drugs.
Nucl Recept Signal, 13, 2015
7AXB
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BU of 7axb by Molmil
Crystal structure of the hPXR-LBD in complex with endosulfan
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Nuclear receptor subfamily 1 group I member 2, ...
著者Huet, T, Delfosse, V, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AXG
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BU of 7axg by Molmil
Crystal structure of the hPXR-LBD in complex with tributyltin
分子名称: Nuclear receptor subfamily 1 group I member 2, tributylstannanyl
著者Delfosse, V, Huet, T, Blanc, P, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AHJ
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BU of 7ahj by Molmil
Crystal structure of PPARgamma V290M mutant ligand binding domain in complex with farglitazar
分子名称: 2-(2-BENZOYL-PHENYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, Peroxisome proliferator-activated receptor gamma
著者Schoenmakers, E, Schwabe, B.T.W, Fairall, L, Chatterjee, K, Schwabe, J.W.R.
登録日2020-09-24
公開日2020-10-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of PPARgamma V290M mutant ligand binding domain in complex with farglitazar
To Be Published
7AX9
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BU of 7ax9 by Molmil
Crystal structure of the hPXR-LBD in complex with cis-chlordane
分子名称: (+)cis-chlordane, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Granell, M, Delfosse, V, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AXH
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BU of 7axh by Molmil
Crystal structure of the hPXR-LBD in complex with alpha-zearalanol
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ...
著者Huet, T, Delfosse, V, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
4XUM
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BU of 4xum by Molmil
PPARgamma ligand binding domain in complex with indomethacin
分子名称: INDOMETHACIN, Peroxisome proliferator-activated receptor gamma
著者Puhl, A.C, Webb, P, Polikarpov, I.
登録日2015-01-26
公開日2015-11-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanisms of peroxisome proliferator activated receptor gamma regulation by non-steroidal anti-inflammatory drugs.
Nucl Recept Signal, 13, 2015
6L16
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BU of 6l16 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
分子名称: 2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine, Serine/threonine-protein kinase pim-1
著者Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
登録日2019-09-27
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
7AXD
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BU of 7axd by Molmil
Crystal structure of the hPXR-LBD in complex with fipronil
分子名称: ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, fipronil
著者Granell, M, Delfosse, V, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AXL
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BU of 7axl by Molmil
Crystal structure of the hPXR-LBD in complex with estradiol and heptachlor endo-epoxide
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ESTRADIOL, Nuclear receptor subfamily 1 group I member 2, ...
著者Delfosse, V, Granell, M, Blanc, P, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AX8
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BU of 7ax8 by Molmil
Crystal structure of the hPXR-LBD in apo form (P43212 SG)
分子名称: 1,2-ETHANEDIOL, Nuclear receptor subfamily 1 group I member 2
著者Delfosse, V, Huet, T, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AXE
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BU of 7axe by Molmil
Crystal structure of the hPXR-LBD in complex with oxadiazon
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ...
著者Harrus, D, Delfosse, V, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AXK
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BU of 7axk by Molmil
Crystal structure of the hPXR-LBD in complex with estradiol and endosulfan
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ESTRADIOL, GLYCEROL, ...
著者Huet, T, Delfosse, V, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
1YTA
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BU of 1yta by Molmil
Crystal Structure of Oligoribonuclease, the lone essential exoribonuclease in Escherichia coli
分子名称: CITRATE ANION, Oligoribonuclease
著者Fiedler, T.J, Zuo, Y, Malhotra, A.
登録日2005-02-10
公開日2006-02-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of Oligoribonuclease, the lone essential exoribonuclease in Escherichia coli
To be Published
7AXI
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BU of 7axi by Molmil
Crystal structure of the hPXR-LBD in complex with estradiol and cis-chlordane
分子名称: (+)cis-chlordane, (-)cis-chlordane, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
著者Huet, T, Delfosse, V, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
3PY7
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BU of 3py7 by Molmil
Crystal structure of full-length Bovine Papillomavirus oncoprotein E6 in complex with LD1 motif of paxillin at 2.3A resolution
分子名称: ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding periplasmic protein,paxillin LD1,protein E6 chimera
著者Cavarelli, J.
登録日2010-12-12
公開日2011-12-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.288 Å)
主引用文献Structural basis for hijacking of cellular LxxLL motifs by papillomavirus E6 oncoproteins.
Science, 339, 2013
7AXA
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BU of 7axa by Molmil
Crystal structure of the hPXR-LBD in complex with clotrimazole
分子名称: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Nuclear receptor subfamily 1 group I member 2
著者Delfosse, V, Granell, M, Blanc, P, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AXF
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BU of 7axf by Molmil
Crystal structure of the hPXR-LBD in complex with pretilachlor
分子名称: ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, pretilachlor
著者Harrus, D, Delfosse, V, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
4NED
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BU of 4ned by Molmil
Crystal STRUCTURE OF C-LOBE OF BOVINE LACTOFERRIN COMPLEXED WITH FENOPROFEN AT 2.1 ANGSTROM RESOLUTION
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, CARBONATE ION, ...
著者Gautam, L, Dube, D, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2013-10-29
公開日2013-12-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal STRUCTURE OF C-LOBE OF BOVINE LACTOFERRIN COMPLEXED WITH FENOPROFEN AT 2.1 ANGSTROM RESOLUTION
To be Published
4A7C
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BU of 4a7c by Molmil
Crystal structure of PIM1 kinase with ETP46546
分子名称: ACETATE ION, IMIDAZOLE, N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ...
著者Mazzorana, M, Montoya, G.
登録日2011-11-12
公開日2012-02-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Hit to Lead Evaluation of 1,2,3-Triazolo[4,5-B]Pyridines as Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
6L17
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BU of 6l17 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
分子名称: 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine, Serine/threonine-protein kinase pim-1
著者Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
登録日2019-09-27
公開日2020-09-02
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
4FV3
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BU of 4fv3 by Molmil
Crystal Structure of the ERK2 complexed with EK6
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-29
公開日2012-08-29
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the ERK2 complexed with EK6
TO BE PUBLISHED

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件を2024-09-11に公開中

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