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4HGT
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BU of 4hgt by Molmil
Crystal structure of ck1d with compound 13
分子名称: 2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform delta
著者Huang, X.
登録日2012-10-08
公開日2012-11-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Design of Potent and Selective CK1 gamma Inhibitors.
ACS Med Chem Lett, 3, 2012
4HGL
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BU of 4hgl by Molmil
Crystal structure of ck1g3 with compound 1
分子名称: 2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform gamma-3, SULFATE ION
著者Huang, X.
登録日2012-10-08
公開日2012-11-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-Based Design of Potent and Selective CK1 gamma Inhibitors.
ACS Med Chem Lett, 3, 2012
6E1A
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BU of 6e1a by Molmil
Menin bound to M-89
分子名称: (1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate, Menin, praseodymium triacetate
著者Stuckey, J.A.
登録日2018-07-09
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-Based Discovery of M-89 as a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
5CHL
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BU of 5chl by Molmil
Structural basis of H2A.Z recognition by YL1 histone chaperone component of SRCAP/SWR1 chromatin remodeling complex
分子名称: Histone H2A.Z, Vacuolar protein sorting-associated protein 72 homolog
著者Shan, S, Liang, X, Pan, L, Wu, C, Zhou, Z.
登録日2015-07-10
公開日2016-03-09
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献Structural basis of H2A.Z recognition by SRCAP chromatin-remodeling subunit YL1
Nat.Struct.Mol.Biol., 23, 2016
8YM1
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BU of 8ym1 by Molmil
Structure of SADS-CoV Virus Nucleocapsid Protein
分子名称: nucleocapsid phosphoprotein
著者Zhang, Y, Wu, F, Xu, W.
登録日2024-03-08
公開日2024-07-24
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unraveling the assembly mechanism of SADS-CoV virus nucleocapsid protein: insights from RNA binding, dimerization, and epitope diversity profiling.
J.Virol., 98, 2024
6KK0
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BU of 6kk0 by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 4e
分子名称: 7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid, MAGNESIUM ION, ZINC ION, ...
著者Huang, Y.-Y, He, X, Luo, H.-B.
登録日2019-07-23
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.20008755 Å)
主引用文献Discovery and Optimization of alpha-Mangostin Derivatives as Novel PDE4 Inhibitors for the Treatment of Vascular Dementia.
J.Med.Chem., 63, 2020
5LN3
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BU of 5ln3 by Molmil
The human 26S Proteasome at 6.8 Ang.
分子名称: 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ...
著者Schweitzer, A, Beck, F, Sakata, E, Unverdorben, P.
登録日2016-08-03
公開日2017-03-22
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (6.8 Å)
主引用文献Molecular Details Underlying Dynamic Structures and Regulation of the Human 26S Proteasome.
Mol. Cell Proteomics, 16, 2017
2OK3
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BU of 2ok3 by Molmil
X-ray structure of human cyclophilin J at 2.0 angstrom
分子名称: NICKEL (II) ION, Peptidyl-prolyl cis-trans isomerase-like 3
著者Xia, Z.
登録日2007-01-15
公開日2008-01-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting Cyclophilin J, a novel peptidyl-prolyl isomerase, can induce cellular G1/S arrest and repress the growth of Hepatocellular carcinoma
To be Published
1F4V
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BU of 1f4v by Molmil
CRYSTAL STRUCTURE OF ACTIVATED CHEY BOUND TO THE N-TERMINUS OF FLIM
分子名称: BERYLLIUM TRIFLUORIDE ION, CHEMOTAXIS CHEY PROTEIN, FLAGELLAR MOTOR SWITCH PROTEIN, ...
著者Lee, S.Y, Cho, H.S, Pelton, J.G, Yan, D, Henderson, R.K, King, D, Huang, L.S, Kustu, S, Berry, E.A, Wemmer, D.E.
登録日2000-06-10
公開日2001-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure of an activated response regulator bound to its target.
Nat.Struct.Biol., 8, 2001
5BPP
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BU of 5bpp by Molmil
Structure of human Leukotriene A4 hydrolase in complex with inhibitor 4AZ
分子名称: 2-(4-butoxyphenyl)-N-hydroxyacetamide, ACETATE ION, Leukotriene A-4 hydrolase, ...
著者Huang, J, Dong, N.N, Xiao, Q, Ou, P.Y, Wu, D, Lu, W.Q.
登録日2015-05-28
公開日2016-08-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Bufexamac ameliorates LPS-induced acute lung injury in mice by targeting LTA4H
Sci Rep, 6, 2016
5WUK
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BU of 5wuk by Molmil
Crystal structure of EED [G255D] in complex with EZH2 peptide and EED226 compound
分子名称: GLYCEROL, Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
著者Chen, Z.
登録日2016-12-19
公開日2017-05-03
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Split luciferase-based biosensors for characterizing EED binders
Anal. Biochem., 522, 2017
2WQY
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BU of 2wqy by Molmil
Remodelling of carboxin binding to the Q-site of avian respiratory complex II
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, AZIDE ION, ...
著者Ruprecht, J, Iwata, S, Cecchini, G.
登録日2009-08-27
公開日2010-08-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Remodelling of Carboxin Binding to the Q-Site of Avian Respiratory Complex II
To be Published
3H1J
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BU of 3h1j by Molmil
Stigmatellin-bound cytochrome bc1 complex from chicken
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, Coenzyme Q10, ...
著者Zhang, Z, Huang, L, Shulmeister, V.M, Chi, Y.-I, Kim, K.K, Hung, L.-W, Crofts, A.R, Berry, E.A, Kim, S.-H.
登録日2009-04-12
公開日2009-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Electron Transfer by Domain Movement in Cytochrome Bc1
Nature, 392, 1998
3H1K
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BU of 3h1k by Molmil
Chicken cytochrome BC1 complex with ZN++ and an iodinated derivative of kresoxim-methyl bound
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, Coenzyme Q10, ...
著者Berry, E.A, Zhang, Z, Bellamy, H.D, Huang, L.S.
登録日2009-04-12
公開日2009-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.48 Å)
主引用文献Crystallographic location of two Zn(2+)-binding sites in the avian cytochrome bc(1) complex
Biochim.Biophys.Acta, 1459, 2000
5VFC
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BU of 5vfc by Molmil
WDR5 bound to inhibitor MM-589
分子名称: 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ...
著者Stuckey, J.A.
登録日2017-04-07
公開日2017-06-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J. Med. Chem., 60, 2017
4WYH
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BU of 4wyh by Molmil
Crystal structure of PriX from the hyperthermophilic archaeon Sulfolobus solfataricus
分子名称: IODIDE ION, Uncharacterized protein
著者Ouyang, S.
登録日2014-11-17
公開日2015-06-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A primase subunit essential for efficient primer synthesis by an archaeal eukaryotic-type primase.
Nat Commun, 6, 2015
8IOF
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BU of 8iof by Molmil
Crystal structure of N-methyl-Cis-4-hydroxy-D-proline dehydratase in Clostridium sp. FS41
分子名称: (2R,4R)-1-methyl-4-hydroxyl-pyrrolidine-2-carboxylic acid, Benzylsuccinate synthase alpha subunit
著者Jiang, L, Zhang, Y.
登録日2023-03-11
公開日2024-03-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Glycyl Radical Enzymes Catalyzing the Dehydration of Two Isomers of N-Methyl-4-hydroxyproline
Acs Catalysis, 14, 2024
8ID1
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BU of 8id1 by Molmil
Crystal structure of N-Methyl-cis-4-hydroxy-L-proline dehydratase in Intestinibacter bartlettii
分子名称: (2S,4S)-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid, Formate C-acetyltransferase
著者Jiang, L, Zhang, Y.
登録日2023-02-11
公開日2024-03-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.115 Å)
主引用文献Glycyl Radical Enzymes Catalyzing the Dehydration of Two Isomers of N-Methyl-4-hydroxyproline
Acs Catalysis, 14, 2024
5DH3
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BU of 5dh3 by Molmil
Crystal structure of MST2 in complex with XMU-MP-1
分子名称: 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SULFATE ION, ...
著者Kong, L.L, Yun, C.H.
登録日2015-08-29
公開日2016-08-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.468 Å)
主引用文献Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration
Sci Transl Med, 8, 2016
6WNH
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BU of 6wnh by Molmil
Menin bound to inhibitor M-808
分子名称: Menin, methyl [(1S,2R)-2-{(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate, praseodymium triacetate
著者Stuckey, J.A.
登録日2020-04-22
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of M-808 as a Highly Potent, Covalent, Small-Molecule Inhibitor of the Menin-MLL Interaction with StrongIn VivoAntitumor Activity.
J.Med.Chem., 63, 2020
5YM3
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BU of 5ym3 by Molmil
CYP76AH1-4pi from salvia miltiorrhiza
分子名称: 4-PHENYL-1H-IMIDAZOLE, Ferruginol synthase, MANGANESE (II) ION, ...
著者Chang, Z.
登録日2017-10-20
公開日2018-10-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Crystal structure of CYP76AH1 in 4-PI-bound state from Salvia miltiorrhiza.
Biochem.Biophys.Res.Commun., 511, 2019
7CJF
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BU of 7cjf by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
著者Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z.
登録日2020-07-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.108 Å)
主引用文献A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes.
Nat Commun, 12, 2021
7QXX
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BU of 7qxx by Molmil
Proteasome-ZFAND5 Complex Z+E state
分子名称: 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, 26S protease regulatory subunit 7, ...
著者Zhu, Y, Lu, Y.
登録日2022-01-27
公開日2023-02-08
最終更新日2024-09-04
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Molecular mechanism for activation of the 26S proteasome by ZFAND5.
Mol.Cell, 83, 2023
7QY7
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BU of 7qy7 by Molmil
Proteasome-ZFAND5 Complex Z-A state
分子名称: 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ...
著者Zhu, Y, Lu, Y.
登録日2022-01-27
公開日2023-02-08
最終更新日2024-09-04
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Molecular mechanism for activation of the 26S proteasome by ZFAND5.
Mol.Cell, 83, 2023
7QXP
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BU of 7qxp by Molmil
Proteasome-ZFAND5 Complex Z+B state
分子名称: 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ...
著者Zhu, Y, Lu, Y.
登録日2022-01-26
公開日2023-02-08
最終更新日2024-09-04
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Molecular mechanism for activation of the 26S proteasome by ZFAND5.
Mol.Cell, 83, 2023

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