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6JII
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BU of 6jii by Molmil
Structure of RyR2 (F/A/C/L-Ca2+/apo-CaM-M 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2019-02-21
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 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
3HMM
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BU of 3hmm by Molmil
Structure of Alk5 + GW855857
分子名称: 2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine, TGF-beta receptor type-1
著者Smith, W, Janson, C.
登録日2009-05-29
公開日2009-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of novel quinazoline derivatives and related analogues as potent and selective ALK5 inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
4LAN
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BU of 4lan by Molmil
Crystal structure of Cordyceps militaris IDCase H195A mutant
分子名称: Uracil-5-carboxylate decarboxylase, ZINC ION
著者Xu, S, Li, W, Zhu, J, Ding, J.
登録日2013-06-20
公開日2013-10-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
4LAO
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BU of 4lao by Molmil
Crystal structure of Cordyceps militaris IDCase H195A mutant (Zn)
分子名称: Cordyceps militaris IDCase, DI(HYDROXYETHYL)ETHER, ZINC ION
著者Xu, S, Li, W, Zhu, J, Ding, J.
登録日2013-06-20
公開日2013-10-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
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
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
3GXL
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BU of 3gxl by Molmil
ALK-5 kinase complex with GW857175
分子名称: N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine, TGF-beta receptor type-1
著者Smith, W, Janson, C.
登録日2009-04-02
公開日2009-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design of novel quinazoline derivatives and related analogues as potent and selective ALK5 inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
7BP9
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BU of 7bp9 by Molmil
Human AAA+ ATPase VCP mutant - T76E, ADP-bound form
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Yang, C, Zhang, H.
登録日2020-03-21
公開日2021-03-31
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle.
Cell Death Differ., 2022
7BPB
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BU of 7bpb by Molmil
Human AAA+ ATPase VCP mutant - T76E, AMP-PNP bound form, Conformation I
分子名称: ADENOSINE-5'-DIPHOSPHATE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
著者Yang, C, Zhang, H.
登録日2020-03-22
公開日2021-03-31
最終更新日2022-04-27
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle.
Cell Death Differ., 2022
7BP8
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BU of 7bp8 by Molmil
Human AAA+ ATPase VCP mutant - T76A, ADP-bound form
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Yang, C, Zhang, H.
登録日2020-03-21
公開日2021-03-31
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle.
Cell Death Differ., 2022
7BPA
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BU of 7bpa by Molmil
Human AAA+ ATPase VCP mutant - T76A, AMP-PNP-bound form, Conformation I
分子名称: ADENOSINE-5'-DIPHOSPHATE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
著者Yang, C, Zhang, H.
登録日2020-03-21
公開日2021-03-31
最終更新日2022-04-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle.
Cell Death Differ., 2022
7CDA
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BU of 7cda by Molmil
Crystal structure of T2R-TTL-PAC complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
登録日2020-06-19
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.659 Å)
主引用文献Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
7CE8
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BU of 7ce8 by Molmil
Crystal structure of T2R-TTL-Compound11 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
登録日2020-06-22
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.725 Å)
主引用文献Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
7CEK
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BU of 7cek by Molmil
Crystal structure of T2R-TTL-BML-284 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
登録日2020-06-23
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.696 Å)
主引用文献Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
7CE6
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BU of 7ce6 by Molmil
Crystal structure of T2R-TTL-Compound9 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
登録日2020-06-22
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.695 Å)
主引用文献Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
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
6S41
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BU of 6s41 by Molmil
CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH XPC-7455
分子名称: 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2
著者Focken, T, Maskos, K, Griessner, A, Krapp, S.
登録日2019-06-26
公開日2019-10-02
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective NaV1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy.
J.Med.Chem., 62, 2019
7BX7
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BU of 7bx7 by Molmil
Cryo-EM structure of amyloid fibril formed by hnRNPA1 low complexity domain
分子名称: Heterogeneous nuclear ribonucleoprotein A1
著者Sun, Y.P, Zhao, K, Liu, C, Li, D.
登録日2020-04-17
公開日2020-11-18
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献The nuclear localization sequence mediates hnRNPA1 amyloid fibril formation revealed by cryoEM structure.
Nat Commun, 11, 2020
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
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
3SP6
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BU of 3sp6 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 alpha, Peroxisome proliferator-activated receptor gamma coactivator 1-beta
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 (2.21 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
5I1Z
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BU of 5i1z by Molmil
Structure of nvPizza2-H16S58
分子名称: SULFATE ION, nvPizza2-H16S58
著者Tame, J.R.H, Voet, A.R.D.
登録日2016-02-07
公開日2017-02-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Broken Symmetry: Partial domain swapping in an artificial trimeric protein
To Be Published
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

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