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4MT9
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BU of 4mt9 by Molmil
Co-crystal structure of tankyrase 1 with compound 49
Descriptor: N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2013-09-19
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
5WUK
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BU of 5wuk by Molmil
Crystal structure of EED [G255D] in complex with EZH2 peptide and EED226 compound
Descriptor: GLYCEROL, Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
Authors:Chen, Z.
Deposit date:2016-12-19
Release date:2017-05-03
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Split luciferase-based biosensors for characterizing EED binders
Anal. Biochem., 522, 2017
7ML7
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BU of 7ml7 by Molmil
Structural basis for CSPG4 as a receptor for TcdB and a therapeutic target in Clostridioides difficile infection
Descriptor: Chondroitin sulfate proteoglycan 4, Toxin B, ZINC ION
Authors:Chen, P, Jin, R.
Deposit date:2021-04-27
Release date:2021-06-09
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Structural basis for CSPG4 as a receptor for TcdB and a therapeutic target in Clostridioides difficile infection.
Nat Commun, 12, 2021
7QXN
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BU of 7qxn by Molmil
Proteasome-ZFAND5 Complex Z+A state
Descriptor: 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ...
Authors:Zhu, Y, Lu, Y.
Deposit date:2022-01-26
Release date:2023-02-08
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular mechanism for activation of the 26S proteasome by ZFAND5.
Mol.Cell, 83, 2023
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
Descriptor: (2R,4R)-1-methyl-4-hydroxyl-pyrrolidine-2-carboxylic acid, Benzylsuccinate synthase alpha subunit
Authors:Jiang, L, Zhang, Y.
Deposit date:2023-03-11
Release date:2024-03-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Glycyl Radical Enzymes Catalyzing the Dehydration of Two Isomers of N-Methyl-4-hydroxyproline
Acs Catalysis, 14, 2024
5WE2
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BU of 5we2 by Molmil
Structural Basis for Telomere Length Regulation by the Shelterin Bridge
Descriptor: DNA-binding protein rap1, Protection of telomeres protein poz1, Protection of telomeres protein tpz1, ...
Authors:Kim, J.-K, Liu, J, Hu, X, Sankaran, B, Qiao, F.
Deposit date:2017-07-06
Release date:2017-12-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Shelterin Bridge Assembly.
Mol. Cell, 68, 2017
4N4V
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BU of 4n4v by Molmil
Co-crystal structure of tankyrase 1 with compound 4 [(4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one]
Descriptor: (4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2013-10-08
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors.
ACS Med Chem Lett, 4, 2013
4N3R
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BU of 4n3r by Molmil
Co-crystal structure of tankyrase 1 with compound 2 (5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide)
Descriptor: 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2013-10-07
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors.
ACS Med Chem Lett, 4, 2013
4N4T
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BU of 4n4t by Molmil
Co-crystal structure of tankyrase 1 with compound 3 [(4S)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one]
Descriptor: (4S)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2013-10-08
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.315 Å)
Cite:Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors.
ACS Med Chem Lett, 4, 2013
8YM1
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BU of 8ym1 by Molmil
Structure of SADS-CoV Virus Nucleocapsid Protein
Descriptor: nucleocapsid phosphoprotein
Authors:Zhang, Y, Wu, F, Xu, W.
Deposit date:2024-03-08
Release date:2024-07-24
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unraveling the assembly mechanism of SADS-CoV virus nucleocapsid protein: insights from RNA binding, dimerization, and epitope diversity profiling.
J.Virol., 98, 2024
4MSG
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BU of 4msg by Molmil
Crystal structure of tankyrase 1 with compound 22
Descriptor: 3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2013-09-18
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
5BPP
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BU of 5bpp by Molmil
Structure of human Leukotriene A4 hydrolase in complex with inhibitor 4AZ
Descriptor: 2-(4-butoxyphenyl)-N-hydroxyacetamide, ACETATE ION, Leukotriene A-4 hydrolase, ...
Authors:Huang, J, Dong, N.N, Xiao, Q, Ou, P.Y, Wu, D, Lu, W.Q.
Deposit date:2015-05-28
Release date:2016-08-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Bufexamac ameliorates LPS-induced acute lung injury in mice by targeting LTA4H
Sci Rep, 6, 2016
4HGT
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BU of 4hgt by Molmil
Crystal structure of ck1d with compound 13
Descriptor: 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
Authors:Huang, X.
Deposit date:2012-10-08
Release date:2012-11-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 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
Authors:Huang, X.
Deposit date:2012-10-08
Release date:2012-11-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Design of Potent and Selective CK1 gamma Inhibitors.
ACS Med Chem Lett, 3, 2012
4MD6
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BU of 4md6 by Molmil
Crystal structure of PDE5 in complex with inhibitor 5R
Descriptor: 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ...
Authors:Cui, W, Huang, M, Shao, Y, Luo, H.
Deposit date:2013-08-22
Release date:2014-07-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2H)-one as a phosphodiesterase-5 inhibitor and its complex crystal structure.
Biochem Pharmacol, 89, 2014
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
Descriptor: Histone H2A.Z, Vacuolar protein sorting-associated protein 72 homolog
Authors:Shan, S, Liang, X, Pan, L, Wu, C, Zhou, Z.
Deposit date:2015-07-10
Release date:2016-03-09
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Structural basis of H2A.Z recognition by SRCAP chromatin-remodeling subunit YL1
Nat.Struct.Mol.Biol., 23, 2016
8XH7
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BU of 8xh7 by Molmil
Structure of EBV LMP1 oligomer
Descriptor: Latent membrane protein 1
Authors:Gao, P, Huang, J.F.
Deposit date:2023-12-17
Release date:2024-06-26
Last modified:2024-09-18
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Assembly and activation of EBV latent membrane protein 1.
Cell, 187, 2024
8XH6
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BU of 8xh6 by Molmil
Structure of EBV LMP1 dimer
Descriptor: Latent membrane protein 1
Authors:Gao, P, Huang, J.F.
Deposit date:2023-12-17
Release date:2024-06-26
Last modified:2024-09-18
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Assembly and activation of EBV latent membrane protein 1.
Cell, 187, 2024
7XDI
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BU of 7xdi by Molmil
Tail structure of bacteriophage SSV19
Descriptor: B210, C131, VP1, ...
Authors:Liu, H.R, Chen, W.Y.
Deposit date:2022-03-27
Release date:2022-08-10
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural insights into a spindle-shaped archaeal virus with a sevenfold symmetrical tail.
Proc.Natl.Acad.Sci.USA, 119, 2022
6OQ7
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BU of 6oq7 by Molmil
Structure of the GTD domain of Clostridium difficile toxin B in complex with VHH E3
Descriptor: E3, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Chen, P, Lam, K, Jin, R.
Deposit date:2019-04-25
Release date:2019-07-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
6OQ8
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BU of 6oq8 by Molmil
Structure of the GTD domain of Clostridium difficile toxin B in complex with VHH 7F
Descriptor: 7F, Toxin B
Authors:Chen, P, Lam, K, Jin, R.
Deposit date:2019-04-25
Release date:2019-07-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
6OQ6
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BU of 6oq6 by Molmil
Structure of the pore forming fragment of Clostridium difficile toxin B in complex with VHH 5D
Descriptor: 5D, Toxin B
Authors:Chen, P, Lam, K, Jin, R.
Deposit date:2019-04-25
Release date:2019-07-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
4K4E
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BU of 4k4e by Molmil
Co-crystal structure of tnks1 with compound 52 [N~2-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide]
Descriptor: N~2~-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2013-04-12
Release date:2013-06-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
4WYH
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BU of 4wyh by Molmil
Crystal structure of PriX from the hyperthermophilic archaeon Sulfolobus solfataricus
Descriptor: IODIDE ION, Uncharacterized protein
Authors:Ouyang, S.
Deposit date:2014-11-17
Release date:2015-06-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A primase subunit essential for efficient primer synthesis by an archaeal eukaryotic-type primase.
Nat Commun, 6, 2015
4K4F
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BU of 4k4f by Molmil
Co-crystal structure of TNKS1 with compound 18 [4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide]
Descriptor: 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-1, ZINC ION
Authors:Huang, X, Bregman, H, Wilson, C, DiMauro, E, Gunaydin, H.
Deposit date:2013-04-12
Release date:2013-06-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013

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