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7DWV
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BU of 7dwv by Molmil
Cryo-EM structure of amyloid fibril formed by familial prion disease-related mutation E196K
分子名称: Major prion protein
著者Wang, L.Q, Zhao, K, Yuan, H.Y, Li, X.N, Dang, H.B, Ma, Y.Y, Wang, Q, Wang, C, Sun, Y.P, Chen, J, Li, D, Zhang, D.L, Yin, P, Liu, C, Liang, Y.
登録日2021-01-18
公開日2021-10-13
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Genetic prion disease-related mutation E196K displays a novel amyloid fibril structure revealed by cryo-EM.
Sci Adv, 7, 2021
5YZV
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BU of 5yzv by Molmil
Biophysical and structural characterization of the thermostable WD40 domain of a prokaryotic protein, Thermomonospora curvata PkwA
分子名称: Probable serine/threonine-protein kinase PkwA
著者Li, D.Y, Shen, C, Du, Y, Qiao, F.F, Kong, T, Yuan, L.R, Zhang, D.L, Wu, X.H, Wu, Y.D.
登録日2017-12-15
公開日2018-10-03
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Biophysical and structural characterization of the thermostable WD40 domain of a prokaryotic protein, Thermomonospora curvata PkwA
Sci Rep, 8, 2018
6F0E
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BU of 6f0e by Molmil
Structure of yeast Sec14p with a picolinamide compound
分子名称: SEC14 cytosolic factor, ~{N}-(1,3-benzodioxol-5-ylmethyl)-5-bromanyl-3-fluoranyl-pyridine-2-carboxamide
著者Hong, Z, Johnen, P, Schaaf, G, Bono, F.
登録日2017-11-20
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Target Identification and Mechanism of Action of Picolinamide and Benzamide Chemotypes with Antifungal Properties.
Cell Chem Biol, 25, 2018
3KU0
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BU of 3ku0 by Molmil
Structure of GAP31 with adenine at its binding pocket
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, Ribosome-inactivating protein gelonin
著者Kong, X.-P.
登録日2009-11-26
公開日2010-01-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A new activity of anti-HIV and anti-tumor protein GAP31: DNA adenosine glycosidase--structural and modeling insight into its functions.
Biochem.Biophys.Res.Commun., 391, 2010
5TX5
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BU of 5tx5 by Molmil
Rip1 Kinase ( flag 1-294, C34A, C127A, C233A, C240A) with GSK772
分子名称: 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
著者Campobasso, N, Ward, P, Thrope, J.
登録日2016-11-15
公開日2017-07-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases.
J. Med. Chem., 60, 2017
5K5T
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BU of 5k5t by Molmil
Crystal structure of the inactive form of human calcium-sensing receptor extracellular domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ...
著者Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R.
登録日2016-05-23
公開日2016-08-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural mechanism of ligand activation in human calcium-sensing receptor.
Elife, 5, 2016
2MWS
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BU of 2mws by Molmil
Structure of the complex of ubiquitin and the ubiquitin-like (UBL) domain of Ddi1
分子名称: DNA damage-inducible protein 1, Ubiquitin
著者Fushman, D, Nowicka, U, Walker, O.
登録日2014-11-23
公開日2015-03-25
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献DNA-Damage-Inducible 1 Protein (Ddi1) Contains an Uncharacteristic Ubiquitin-like Domain that Binds Ubiquitin.
Structure, 23, 2015
3DT1
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BU of 3dt1 by Molmil
P38 Complexed with a quinazoline inhibitor
分子名称: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
著者Herberich, B, Syed, R, Li, V, Tasker, A.S.
登録日2008-07-14
公開日2008-10-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold.
J.Med.Chem., 51, 2008
2MRP
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BU of 2mrp by Molmil
NMR solution structure of the Ubiquitin like domain (UBL) of DNA-damage-inducible 1 protein (Ddi1)
分子名称: DNA damage-inducible protein 1
著者Nowicka, U, Fushman, D, Chen, T.
登録日2014-07-14
公開日2015-03-11
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献DNA-Damage-Inducible 1 Protein (Ddi1) Contains an Uncharacteristic Ubiquitin-like Domain that Binds Ubiquitin.
Structure, 23, 2015
4YTC
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BU of 4ytc by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease
分子名称: N~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2
著者Zuccola, H.J, Ledeboer, M.
登録日2015-03-17
公開日2015-08-12
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
4YTH
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BU of 4yth by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases
分子名称: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)-D-alaninamide, Tyrosine-protein kinase JAK2
著者Ledeboer, M.W, Zuccola, H.J.
登録日2015-03-17
公開日2015-08-12
最終更新日2016-07-20
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
8AWZ
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BU of 8awz by Molmil
Crystal structure of Trametes versicolor glutathione transferase Omega 3S in complex with dinitrosyl glutathionyl iron complex (DNGIC)
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
著者Schwartz, M, Didierjean, C.
登録日2022-08-30
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献Structural insights into the interactions of glutathione transferases with a nitric oxide carrier and sodium nitroprusside.
Biochem.Biophys.Res.Commun., 649, 2023
8AX2
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BU of 8ax2 by Molmil
Crystal structure of Trametes versicolor glutathione transferase Omega 3S in complex with glutathione and pentachloro-nitrosyl-osmate
分子名称: CALCIUM ION, GLUTATHIONE, GLYCEROL, ...
著者Schwartz, M, Didierjean, C.
登録日2022-08-30
公開日2023-03-01
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structural insights into the interactions of glutathione transferases with a nitric oxide carrier and sodium nitroprusside.
Biochem.Biophys.Res.Commun., 649, 2023
8J5D
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BU of 8j5d by Molmil
Cryo-EM structure of starch degradation complex of BAM1-LSF1-MDH
分子名称: Beta-amylase 1, chloroplastic, Malate dehydrogenase, ...
著者Guan, Z.Y, Liu, J, Yan, J.J.
登録日2023-04-21
公開日2024-01-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The LIKE SEX FOUR 1-malate dehydrogenase complex functions as a scaffold to recruit beta-amylase to promote starch degradation.
Plant Cell, 36, 2023
8AX0
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BU of 8ax0 by Molmil
Crystal structure of Trametes versicolor glutathione transferase Omega 3S in complex with sodium nitroprusside
分子名称: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Schwartz, M, Didierjean, C.
登録日2022-08-30
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural insights into the interactions of glutathione transferases with a nitric oxide carrier and sodium nitroprusside.
Biochem.Biophys.Res.Commun., 649, 2023
5VSB
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BU of 5vsb by Molmil
Structure of DUB complex
分子名称: 7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7
著者Seo, H.-S, Dhe-Paganon, S.
登録日2017-05-11
公開日2017-12-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
6JJB
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BU of 6jjb by Molmil
BRD4 in complex with ZZM1
分子名称: 2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide, Bromodomain-containing protein 4
著者Xu, J, Chen, Y, Jiang, F, Zhu, J.
登録日2019-02-25
公開日2020-01-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.508 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019
5VS6
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BU of 5vs6 by Molmil
Structure of DUB complex
分子名称: ACETATE ION, GLYCEROL, N-[3-({4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide, ...
著者Seo, H.-S, Dhe-Paganon, S.
登録日2017-05-11
公開日2017-12-20
最終更新日2018-01-03
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
5VSK
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BU of 5vsk by Molmil
Structure of DUB complex
分子名称: 7-chloro-3-({4-hydroxy-1-[(3S)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION
著者Seo, H.-Y, Dhe-Paganon, S.
登録日2017-05-11
公開日2017-12-20
最終更新日2018-01-03
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
4WL2
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BU of 4wl2 by Molmil
Structure of penicillin V acylase from Pectobacterium atrosepticum
分子名称: Putative exported choloylglycine hydrolase
著者Ramasamy, S, Avinash, V.S, Pundle, A.V, Suresh, C.G.
登録日2014-10-06
公開日2015-10-07
最終更新日2016-04-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural analysis of a penicillin V acylase from Pectobacterium atrosepticum confirms the importance of two Trp residues for activity and specificity
J.Struct.Biol., 193, 2016
8D0A
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BU of 8d0a by Molmil
Crystal structure of human USP30 in complex with a covalent inhibitor 829 and a Fab
分子名称: Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION, mouse anti-huUSP30 Fab heavy chain, ...
著者Song, X, Butler, J, Li, C, Zhang, K, Zhang, D, Hao, Y.
登録日2022-05-25
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献TBD
To Be Published
8JGT
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BU of 8jgt by Molmil
Crystal structure of Deinococcus radiodurans exopolyphosphatase E114A mutant
分子名称: Exopolyphosphatase, MAGNESIUM ION, SULFATE ION
著者Zhao, Y, Dai, S.
登録日2023-05-21
公開日2024-05-15
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 11, 2024
8JGR
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BU of 8jgr by Molmil
Crystal structure of Deinococcus radiodurans exopolyphosphatase in the presence of Pi
分子名称: Exopolyphosphatase, PHOSPHATE ION, POTASSIUM ION
著者Zhao, Y, Dai, S.
登録日2023-05-21
公開日2024-05-15
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 11, 2024
8JGX
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BU of 8jgx by Molmil
Crystal structure of Acinetobacter baumannii exopolyphosphatase
分子名称: Exopolyphosphatase
著者Zhao, Y, Dai, S.
登録日2023-05-21
公開日2024-05-15
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 11, 2024
8JGW
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BU of 8jgw by Molmil
Crystal structure of Klebsiella pneumoniae exopolyphosphatase
分子名称: Exopolyphosphatase, GLYCEROL, MAGNESIUM ION, ...
著者Zhao, Y, Dai, S.
登録日2023-05-21
公開日2024-05-15
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 11, 2024

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