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3SP9
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BU of 3sp9 by Molmil
Structural basis for iloprost as a dual PPARalpha/delta agonist
分子名称: (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid, Peroxisome proliferator-activated receptor delta
著者Rong, H, Li, Y.
登録日2011-07-01
公開日2011-07-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for iloprost as a dual peroxisome proliferator-activated receptor alpha/delta agonist.
J.Biol.Chem., 286, 2011
6JIY
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BU of 6jiy by Molmil
Structure of RyR2 (F/A/C/H-Ca2+/Ca2+CaM dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-02-24
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JRS
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BU of 6jrs by Molmil
Structure of RyR2 (*F/A/C/L-Ca2+/Ca2+-CaM dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-04-05
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
3RJR
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BU of 3rjr by Molmil
Crystal Structure of pro-TGF beta 1
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, Transforming growth factor beta-1
著者Zhu, J.H, Shi, M.L, Springer, T.A.
登録日2011-04-15
公開日2011-06-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Latent TGF-Beta structure and activation
Nature, 474, 2011
6JV2
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BU of 6jv2 by Molmil
Structure of RyR2 (P/L-Ca2+/Ca2+-CaM dataset)
分子名称: CALCIUM ION, Calmodulin-1, RyR2, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-04-15
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6KNV
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BU of 6knv by Molmil
THRb mutation with a novel agonist
分子名称: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
著者Yao, B.Q, Li, Y.
登録日2019-08-07
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
6KNW
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BU of 6knw by Molmil
THRb mutation with a novel agonist
分子名称: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
著者Yao, B.Q, Li, Y.
登録日2019-08-07
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
7X78
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BU of 7x78 by Molmil
L-fuculose 1-phosphate aldolase
分子名称: L-fuculose phosphate aldolase, MAGNESIUM ION, SULFATE ION
著者Lou, X, Zhang, Q, Bartlam, M.
登録日2022-03-09
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural characterization of an L-fuculose-1-phosphate aldolase from Klebsiella pneumoniae.
Biochem.Biophys.Res.Commun., 607, 2022
2KXS
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BU of 2kxs by Molmil
ZO1 ZU5 domain in complex with GRINL1A peptide
分子名称: Tight junction protein ZO-1,Myocardial zonula adherens protein
著者Wen, W, Zhang, M.
登録日2010-05-12
公開日2011-03-30
最終更新日2024-04-10
実験手法SOLUTION NMR
主引用文献Cdc42-dependent formation of the ZO-1/MRCKb complex at the leading edge controls cell migration
Embo J., 30, 2011
5X74
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BU of 5x74 by Molmil
The crystal Structure PDE delta in complex with compound (R, R)-1g
分子名称: (2R)-2-(2-fluorophenyl)-3-[2-[4-[(2R)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
著者Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
登録日2017-02-23
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
5XM8
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BU of 5xm8 by Molmil
Crystal structure of AsfvPolX in complex with DNA enzyme and Pb.
分子名称: DNA (23-mer), DNA (36-MER), LEAD (II) ION, ...
著者Liu, H.H, Gan, J.H.
登録日2017-05-13
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of an RNA-cleaving DNAzyme.
Nat Commun, 8, 2017
5X73
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BU of 5x73 by Molmil
The crystal Structure PDE delta in complex with R-p9
分子名称: (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
著者Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
登録日2017-02-23
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
5XM9
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BU of 5xm9 by Molmil
Crystal structure of AsfvPolX in complex with DNA enzyme.
分子名称: DNA (23-mer), DNA (36-MER), Repair DNA polymerase X
著者Liu, H.H, Gan, J.H.
登録日2017-05-13
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.053 Å)
主引用文献Crystal structure of an RNA-cleaving DNAzyme.
Nat Commun, 8, 2017
5YR0
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BU of 5yr0 by Molmil
Structure of Beclin1-UVRAG coiled coil domain complex
分子名称: Beclin-1, UV radiation resistance associated protein
著者Pan, X, Zhao, Y, He, Y.
登録日2017-11-08
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Targeting the potent Beclin 1-UVRAG coiled-coil interaction with designed peptides enhances autophagy and endolysosomal trafficking.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5XMA
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BU of 5xma by Molmil
Crystal structure of AsfvPolX in complex with DNA enzyme at P43212 space group
分子名称: DNA (36-MER), DNA/RNA (5'-D(*AP*CP*GP*AP*GP*AP*GP*AP*GP*AP*T)-R(P*G)-D(P*GP*GP*TP*GP*CP*GP*TP*TP*AP*CP*A)-3'), Repair DNA polymerase X
著者Liu, H.H, Gan, J.H.
登録日2017-05-13
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Crystal structure of an RNA-cleaving DNAzyme.
Nat Commun, 8, 2017
5X72
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BU of 5x72 by Molmil
The crystal Structure PDE delta in complex with (rac)-p9
分子名称: (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, (2S)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
著者Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
登録日2017-02-23
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
5KCX
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BU of 5kcx by Molmil
Pim-1 kinase in Complex with a Selective N-substituted 7-azaindole Inhibitor
分子名称: 4-chloranyl-1-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridine-6-carboxamide, ACETATE ION, IMIDAZOLE, ...
著者Mechin, I, McLean, L.R, Zhang, Y, Wang, R.
登録日2016-06-07
公開日2017-07-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017
2O0U
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BU of 2o0u by Molmil
Crystal structure of human JNK3 complexed with N-{3-cyano-6-[3-(1-piperidinyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}-1-naphthalenecarboxamide
分子名称: Mitogen-activated protein kinase 10, N-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPANOYL]-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-2-YL}1-NAPHTHALENECARBOXAMIDE
著者Rowland, P, Somers, D.
登録日2006-11-28
公開日2007-02-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3.
Bioorg.Med.Chem.Lett., 17, 2007
2O2U
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BU of 2o2u by Molmil
Crystal structure of human JNK3 complexed with N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
分子名称: Mitogen-activated protein kinase 10, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
著者Somers, D, Rowland, P.
登録日2006-11-30
公開日2007-02-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3.
Bioorg.Med.Chem.Lett., 17, 2007
7Y63
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BU of 7y63 by Molmil
ApoSIDT2-pH7.4
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, SID1 transmembrane family member 2, ...
著者Gong, D.S.
登録日2022-06-18
公開日2023-06-21
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Structural insight into the human SID1 transmembrane family member 2 reveals its lipid hydrolytic activity.
Nat Commun, 14, 2023
7Y68
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BU of 7y68 by Molmil
SIDT2-pH5.5 plus miRNA
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, SID1 transmembrane family member 2, ...
著者Gong, D.S.
登録日2022-06-18
公開日2023-06-21
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Structural insight into the human SID1 transmembrane family member 2 reveals its lipid hydrolytic activity.
Nat Commun, 14, 2023
7Y69
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ApoSIDT2-pH5.5
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, SID1 transmembrane family member 2, ...
著者Gong, D.S.
登録日2022-06-18
公開日2023-06-21
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Structural insight into the human SID1 transmembrane family member 2 reveals its lipid hydrolytic activity.
Nat Commun, 14, 2023
5GSK
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BU of 5gsk by Molmil
Crystal structure of duplex DNA3 in complex with Hg(II) and Sr(II)
分子名称: DNA (5'-D(*GP*GP*TP*CP*GP*TP*CP*C)-3'), MERCURY (II) ION, STRONTIUM ION
著者Liu, H.H, Wang, R, Yao, Q.Q, Cheng, Y.Q, Yang, C, Luo, Q, Wu, B.X, Li, J.X, Ma, J.B, Sheng, J, Gan, J.H.
登録日2016-08-16
公開日2017-02-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Flexibility and stabilization of HgII-mediated C:T and T:T base pairs in DNA duplex
Nucleic Acids Res., 45, 2017
5TOE
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BU of 5toe by Molmil
Pim-1 kinase in complex with a 7-azaindole
分子名称: 2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile, Serine/threonine-protein kinase pim-1
著者Mclean, L, Mechin, I, Zhang, Y, Wang, R, Batchelor, J.D.
登録日2016-10-17
公開日2017-10-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017
5TEX
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BU of 5tex by Molmil
Pim-1 kinase in complex with a 7-azaindole
分子名称: (4-{4-chloro-1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)methanol, IMIDAZOLE, Serine/threonine-protein kinase pim-1
著者Mechin, I, Wang, R, Batchelor, J.D, McLean, L.
登録日2016-09-23
公開日2017-10-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.149 Å)
主引用文献Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017

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