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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
Descriptor: Major prion protein
Authors: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.
Deposit date:2021-01-18
Release date:2021-10-13
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite: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
Descriptor: Probable serine/threonine-protein kinase PkwA
Authors:Li, D.Y, Shen, C, Du, Y, Qiao, F.F, Kong, T, Yuan, L.R, Zhang, D.L, Wu, X.H, Wu, Y.D.
Deposit date:2017-12-15
Release date:2018-10-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: SEC14 cytosolic factor, ~{N}-(1,3-benzodioxol-5-ylmethyl)-5-bromanyl-3-fluoranyl-pyridine-2-carboxamide
Authors:Hong, Z, Johnen, P, Schaaf, G, Bono, F.
Deposit date:2017-11-20
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, Ribosome-inactivating protein gelonin
Authors:Kong, X.-P.
Deposit date:2009-11-26
Release date:2010-01-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 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
Authors:Campobasso, N, Ward, P, Thrope, J.
Deposit date:2016-11-15
Release date:2017-07-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.56 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ...
Authors: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.
Deposit date:2016-05-23
Release date:2016-08-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor: DNA damage-inducible protein 1, Ubiquitin
Authors:Fushman, D, Nowicka, U, Walker, O.
Deposit date:2014-11-23
Release date:2015-03-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
Authors:Herberich, B, Syed, R, Li, V, Tasker, A.S.
Deposit date:2008-07-14
Release date:2008-10-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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)
Descriptor: DNA damage-inducible protein 1
Authors:Nowicka, U, Fushman, D, Chen, T.
Deposit date:2014-07-14
Release date:2015-03-11
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: N~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (2.16 Å)
Cite: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
Descriptor: 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
Authors:Ledeboer, M.W, Zuccola, H.J.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite: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)
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
Authors:Schwartz, M, Didierjean, C.
Deposit date:2022-08-30
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.549 Å)
Cite: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
Descriptor: CALCIUM ION, GLUTATHIONE, GLYCEROL, ...
Authors:Schwartz, M, Didierjean, C.
Deposit date:2022-08-30
Release date:2023-03-01
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.62 Å)
Cite: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
Descriptor: Beta-amylase 1, chloroplastic, Malate dehydrogenase, ...
Authors:Guan, Z.Y, Liu, J, Yan, J.J.
Deposit date:2023-04-21
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite: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
Descriptor: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Schwartz, M, Didierjean, C.
Deposit date:2022-08-30
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: 7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2017-05-11
Release date:2017-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: 2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide, Bromodomain-containing protein 4
Authors:Xu, J, Chen, Y, Jiang, F, Zhu, J.
Deposit date:2019-02-25
Release date:2020-01-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.508 Å)
Cite: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
Descriptor: 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, ...
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2017-05-11
Release date:2017-12-20
Last modified:2018-01-03
Method:X-RAY DIFFRACTION (2.27 Å)
Cite: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
Descriptor: 7-chloro-3-({4-hydroxy-1-[(3S)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION
Authors:Seo, H.-Y, Dhe-Paganon, S.
Deposit date:2017-05-11
Release date:2017-12-20
Last modified:2018-01-03
Method:X-RAY DIFFRACTION (3.33 Å)
Cite: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
Descriptor: Putative exported choloylglycine hydrolase
Authors:Ramasamy, S, Avinash, V.S, Pundle, A.V, Suresh, C.G.
Deposit date:2014-10-06
Release date:2015-10-07
Last modified:2016-04-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION, mouse anti-huUSP30 Fab heavy chain, ...
Authors:Song, X, Butler, J, Li, C, Zhang, K, Zhang, D, Hao, Y.
Deposit date:2022-05-25
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:TBD
To Be Published
8JGT
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BU of 8jgt by Molmil
Crystal structure of Deinococcus radiodurans exopolyphosphatase E114A mutant
Descriptor: Exopolyphosphatase, MAGNESIUM ION, SULFATE ION
Authors:Zhao, Y, Dai, S.
Deposit date:2023-05-21
Release date:2024-05-15
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: Exopolyphosphatase, PHOSPHATE ION, POTASSIUM ION
Authors:Zhao, Y, Dai, S.
Deposit date:2023-05-21
Release date:2024-05-15
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Exopolyphosphatase
Authors:Zhao, Y, Dai, S.
Deposit date:2023-05-21
Release date:2024-05-15
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Exopolyphosphatase, GLYCEROL, MAGNESIUM ION, ...
Authors:Zhao, Y, Dai, S.
Deposit date:2023-05-21
Release date:2024-05-15
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 11, 2024

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