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5I4V
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BU of 5i4v by Molmil
Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists
分子名称: Oxysterols receptor LXR-beta,Nuclear receptor coactivator 2, Retinoic acid receptor RXR-beta,Nuclear receptor coactivator 2, {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol
著者Chen, G, McKeever, B.M.
登録日2016-02-12
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR) beta Agonist.
J.Med.Chem., 59, 2016
2FJ2
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BU of 2fj2 by Molmil
Crystal Structure of Viral Macrophage Inflammatory Protein-II
分子名称: Viral macrophage inflammatory protein-II
著者Li, Y, Liu, D, Cao, R, Kumar, S, Dong, C.Z, wilson, S.R, Gao, Y.G, Huang, Z.
登録日2005-12-30
公開日2006-12-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of chemically synthesized vMIP-II.
Proteins, 67, 2007
2FHT
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BU of 2fht by Molmil
Crystal Structure of Viral Macrophage Inflammatory Protein-II
分子名称: Viral macrophage inflammatory protein-II
著者Li, Y, Liu, D, Cao, R, Kumar, S, Dong, C.Z, wilson, S.R, Gao, Y.G, Huang, Z.
登録日2005-12-27
公開日2006-12-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of chemically synthesized vMIP-II.
Proteins, 67, 2007
2JKC
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BU of 2jkc by Molmil
Crystal Structure of E346D of Tryptophan 7-Halogenase (PrnA)
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase PrnA, ...
著者Zhu, X, Naismith, J.H.
登録日2008-08-26
公開日2008-09-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献New insights into the mechanism of enzymatic chlorination of tryptophan.
Angew. Chem. Int. Ed. Engl., 47, 2008
8Y3X
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BU of 8y3x by Molmil
Cell divisome sPG hydrolysis machinery FtsEX-EnvC
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cell division ATP-binding protein FtsE, Cell division protein FtsX, ...
著者Zhang, Z, Dong, H, Chen, Y.
登録日2024-01-29
公開日2024-05-08
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献Structure and activity of the septal peptidoglycan hydrolysis machinery crucial for bacterial cell division.
Plos Biol., 22, 2024
8H7Z
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BU of 8h7z by Molmil
Cryo-EM structure of SARS-CoV-2 BA.2 RBD in complex with BA7535 fab (local refinement)
分子名称: BA7535 fab, Spike glycoprotein
著者Liu, Z, Yan, A, Gao, Y.
登録日2022-10-21
公開日2023-08-30
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants.
Nat Commun, 15, 2024
8H7L
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BU of 8h7l by Molmil
Cryo-EM Structure of SARS-CoV-2 BA.2 Spike protein in complex with BA7535
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, BA7535 fab heavt chain, ...
著者Liu, Z, Yan, A, Gao, Y.
登録日2022-10-20
公開日2023-08-30
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2.44 Å)
主引用文献Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants.
Nat Commun, 15, 2024
6NFX
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BU of 6nfx by Molmil
MBTD1 MBT repeats
分子名称: GLYCEROL, MBT domain-containing protein 1,Enhancer of polycomb homolog 1, SODIUM ION, ...
著者Zhang, H, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2018-12-21
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Basis for EPC1-Mediated Recruitment of MBTD1 into the NuA4/TIP60 Acetyltransferase Complex.
Cell Rep, 30, 2020
8X61
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BU of 8x61 by Molmil
Cryo-EM structure of ATP-bound FtsE(E163Q)X
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cell division ATP-binding protein FtsE, Cell division protein FtsX
著者Zhang, Z.Y, Chen, Y.T.
登録日2023-11-20
公開日2024-05-08
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Structure and activity of the septal peptidoglycan hydrolysis machinery crucial for bacterial cell division.
Plos Biol., 22, 2024
8HFQ
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BU of 8hfq by Molmil
Cryo-EM structure of CpcL-PBS from cyanobacterium Synechocystis sp. PCC 6803
分子名称: C-phycocyanin alpha subunit, C-phycocyanin beta subunit, Ferredoxin--NADP reductase, ...
著者Zheng, L, Zhang, Z, Wang, H, Zheng, Z, Gao, N, Zhao, J.
登録日2022-11-11
公開日2023-11-08
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Cryo-EM and femtosecond spectroscopic studies provide mechanistic insight into the energy transfer in CpcL-phycobilisomes.
Nat Commun, 14, 2023
5KYJ
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BU of 5kyj by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
分子名称: (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole, Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta
著者Chen, G, McKeever, B.M.
登録日2016-07-21
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
5KYA
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BU of 5kya by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
分子名称: Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol
著者Chen, G, McKeever, B.M.
登録日2016-07-21
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
7F9W
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BU of 7f9w by Molmil
CD25 in complex with Fab
分子名称: Heavy chain of Fab, Interleukin-2 receptor subunit alpha, Light chain of Fab
著者Liu, C.
登録日2021-07-05
公開日2022-01-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Two novel human anti-CD25 antibodies with antitumor activity inversely related to their affinity and in vitro activity.
Sci Rep, 11, 2021
6PER
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BU of 6per by Molmil
Crystal Structure of Ligand-Free iSeroSnFR
分子名称: 1,2-ETHANEDIOL, iSeroSnFR, a soluble, ...
著者Hartanto, S, Tian, L, Fisher, A.J.
登録日2019-06-20
公開日2020-06-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Directed Evolution of a Selective and Sensitive Serotonin Sensor via Machine Learning.
Cell, 183, 2020
4L6Q
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BU of 4l6q by Molmil
ROCK2 in complex with benzoxaborole
分子名称: 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol, Rho-associated protein kinase 2
著者Rock, F, Jarnagin, K.
登録日2013-06-12
公開日2013-10-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Linking phenotype to kinase: identification of a novel benzoxaborole hinge-binding motif for kinase inhibition and development of high-potency rho kinase inhibitors.
J.Pharmacol.Exp.Ther., 347, 2013
7KJZ
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BU of 7kjz by Molmil
crystal structure of PLEKHA7 PH domain biding inositol-tetraphosphate
分子名称: 1,2-ETHANEDIOL, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Pleckstrin homology domain-containing family A member 7
著者Marassi, F.M, Aleshin, A.E, Liddington, R.C.
登録日2020-10-26
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structural basis for the association of PLEKHA7 with membrane-embedded phosphatidylinositol lipids.
Structure, 29, 2021
7KJO
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BU of 7kjo by Molmil
crystal structure of PLEKHA7 PH domain biding SO4
分子名称: GLYCEROL, Pleckstrin homology domain-containing family A member 7, SULFATE ION
著者Marassi, F.M, Aleshin, A.E, Liddington, R.C.
登録日2020-10-26
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural basis for the association of PLEKHA7 with membrane-embedded phosphatidylinositol lipids.
Structure, 29, 2021
7KK7
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BU of 7kk7 by Molmil
crystal structure of ligand-free PLEKHA7 PH domain
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Pleckstrin homology domain-containing family A member 7
著者Marassi, F.M, Aleshin, A.E, Liddington, R.C.
登録日2020-10-27
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for the association of PLEKHA7 with membrane-embedded phosphatidylinositol lipids.
Structure, 29, 2021
3O0J
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BU of 3o0j by Molmil
PDE4B In complex with ligand an2898
分子名称: 1,2-ETHANEDIOL, 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile, MAGNESIUM ION, ...
著者Alley, M.R.K, Zhou, Y.
登録日2010-07-19
公開日2011-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Boron-based phosphodiesterase inhibitors show novel binding of boron to PDE4 bimetal center.
Febs Lett., 586, 2012
6KYF
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BU of 6kyf by Molmil
Crystal structure of an anti-CRISPR protein
分子名称: AcrF11, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Niu, Y, Wang, H, Zhang, Y, Feng, Y.
登録日2019-09-18
公開日2020-09-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献A Type I-F Anti-CRISPR Protein Inhibits the CRISPR-Cas Surveillance Complex by ADP-Ribosylation.
Mol.Cell, 80, 2020
6L9J
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BU of 6l9j by Molmil
Structure of yeast Snf5 and Swi3 subcomplex
分子名称: GLYCEROL, SWI/SNF chromatin-remodeling complex subunit SNF5, SWI/SNF complex subunit SWI3
著者Long, J, Zhou, H.
登録日2019-11-10
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.642 Å)
主引用文献Snf5 and Swi3 subcomplex formation is required for SWI/SNF complex function in yeast.
Biochem.Biophys.Res.Commun., 526, 2020
7EP2
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BU of 7ep2 by Molmil
Crystal structure of ZYG11B bound to GGFN degron
分子名称: Protein zyg-11 homolog B
著者Yan, X, Li, Y.
登録日2021-04-26
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 .
Mol.Cell, 81, 2021
7EP1
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BU of 7ep1 by Molmil
Crystal structure of ZYG11B bound to GFLH degron
分子名称: Protein zyg-11 homolog B
著者Yan, X, Li, Y.
登録日2021-04-26
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 .
Mol.Cell, 81, 2021
7EP4
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BU of 7ep4 by Molmil
Crystal structure of ZER1 bound to GFLH degron
分子名称: Protein zer-1 homolog
著者Yan, X, Li, Y.
登録日2021-04-26
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 .
Mol.Cell, 81, 2021
7EP5
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BU of 7ep5 by Molmil
Crystal structure of ZER1 bound to GKLH degron
分子名称: Protein zer-1 homolog
著者Yan, X, Li, Y.
登録日2021-04-26
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 .
Mol.Cell, 81, 2021

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