8WG5
 
 | | Cryo-EM structure of USP16 bound to H2AK119Ub nucleosome | | Descriptor: | DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | | Authors: | Ai, H.S, He, Z.Z, Deng, Z.H, Liu, L. | | Deposit date: | 2023-09-20 | | Release date: | 2023-12-27 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Structural and mechanistic basis for nucleosomal H2AK119 deubiquitination by single-subunit deubiquitinase USP16.
Nat.Struct.Mol.Biol., 2024
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6K9N
 | | Rice_OTUB_like_catalytic domain | | Descriptor: | Ubiquitin thioesterase | | Authors: | Lu, L.N, Liu, L, Wang, F. | | Deposit date: | 2019-06-17 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains
Nat Commun, 13, 2022
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6KBE
 | | Structure of Deubiquitinase | | Descriptor: | Polyubiquitin-C, Ubiquitin thioesterase | | Authors: | Lu, L.N, Liu, L, Wang, F. | | Deposit date: | 2019-06-24 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.339 Å) | | Cite: | Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains
Nat Commun, 13, 2022
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6K9P
 | | Structure of Deubiquitinase | | Descriptor: | Ubiquitin, Ubiquitin thioesterase | | Authors: | Lu, L.N, Liu, L, Wang, F. | | Deposit date: | 2019-06-17 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.047 Å) | | Cite: | Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains
Nat Commun, 13, 2022
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8ELC
 | | Human JNK2 bound to covalent inhibitor YL2056 | | Descriptor: | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide, Mitogen-activated protein kinase 9 | | Authors: | Li, L, Gurbani, D, Westover, K.D. | | Deposit date: | 2022-09-23 | | Release date: | 2023-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.072 Å) | | Cite: | Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1.
J.Med.Chem., 66, 2023
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3W4U
 | | Human zeta-2 beta-2-s hemoglobin | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit beta, Hemoglobin subunit zeta, ... | | Authors: | Safo, M.K, Ko, T.-P, Russell, J.E. | | Deposit date: | 2013-01-16 | | Release date: | 2013-02-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of fully liganded Hb zeta 2 beta 2(s) trapped in a tense conformation
Acta Crystallogr.,Sect.D, 69, 2013
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7RHP
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7TEU
 | | Crystal structure of JAK2 JH1 with type II inhibitor YLIU-04-105-1 | | Descriptor: | 3-{(4S)-2-[(cyclopropanecarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}-4-methylbenzamide, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Hubbard, S.R. | | Deposit date: | 2022-01-05 | | Release date: | 2023-06-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | New scaffolds for type II JAK2 inhibitors overcome the acquired G993A resistance mutation.
Cell Chem Biol, 30, 2023
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3SKE
 | | I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles | | Descriptor: | 1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid, HCV NS5B RNA_DEPENDENT RNA POLYMERASE, PHOSPHATE ION | | Authors: | Lesburg, C.A, Anilkumar, G.N. | | Deposit date: | 2011-06-22 | | Release date: | 2011-08-31 | | Last modified: | 2012-09-26 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
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3SKH
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3SKA
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7N6Z
 | | Crystal Structure of PI5P4KIIAlpha | | Descriptor: | Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION | | Authors: | Chen, S, Ha, Y. | | Deposit date: | 2021-06-09 | | Release date: | 2021-06-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7N7N
 | | Crystal Structure of PI5P4KIIAlpha complex with Volasertib | | Descriptor: | N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION | | Authors: | Chen, S, Ha, Y. | | Deposit date: | 2021-06-10 | | Release date: | 2021-06-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7N7O
 | | Crystal Structure of PI5P4KIIAlpha complex with Palbociclib | | Descriptor: | 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION | | Authors: | Chen, S, Ha, Y. | | Deposit date: | 2021-06-10 | | Release date: | 2021-06-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7N81
 | | Crystal Structure of PI5P4KIIBeta complex with CC260 | | Descriptor: | (7R)-8-cyclopentyl-7-(cyclopentylmethyl)-2-[(3,5-dichloro-4-hydroxyphenyl)amino]-5-methyl-7,8-dihydropteridin-6(5H)-one, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | | Authors: | Chen, S, Ha, Y. | | Deposit date: | 2021-06-11 | | Release date: | 2021-06-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7N7J
 | | Crystal Structure of PI5P4KIIAlpha complex with AMPPNP | | Descriptor: | MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, ... | | Authors: | Chen, S, Ha, Y. | | Deposit date: | 2021-06-10 | | Release date: | 2021-06-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7N80
 | | Crystal Structure of PI5P4KIIBeta | | Descriptor: | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | | Authors: | Chen, S, Ha, Y. | | Deposit date: | 2021-06-11 | | Release date: | 2021-06-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7N7M
 | | Crystal Structure of PI5P4KIIAlpha complex with BI-2536 | | Descriptor: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION | | Authors: | Chen, S, Ha, Y. | | Deposit date: | 2021-06-10 | | Release date: | 2021-06-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7N7K
 | | Crystal Structure of PI5P4KIIAlpha complex with AMPPNP | | Descriptor: | MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, ... | | Authors: | Chen, S, Ha, Y. | | Deposit date: | 2021-06-10 | | Release date: | 2021-06-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7N7L
 | | Crystal Structure of PI5P4KIIAlpha complex with BI-D1870 | | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION | | Authors: | Chen, S, Ha, Y. | | Deposit date: | 2021-06-10 | | Release date: | 2021-06-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7N71
 | | Crystal Structure of PI5P4KIIAlpha | | Descriptor: | Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION | | Authors: | Chen, S, Ha, Y. | | Deposit date: | 2021-06-09 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7N8T
 | | Crystal Structure of AMP-bound Human JNK2 | | Descriptor: | ADENOSINE MONOPHOSPHATE, HEXAETHYLENE GLYCOL, Mitogen-activated protein kinase 9 | | Authors: | Li, L, Gurbani, D, Westover, K.D. | | Deposit date: | 2021-06-15 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1.
J.Med.Chem., 66, 2023
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6BN7
 | | Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET23 PROTAC. | | Descriptor: | Bromodomain-containing protein 4, DNA damage-binding protein 1, Protein cereblon, ... | | Authors: | Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S. | | Deposit date: | 2017-11-16 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.501 Å) | | Cite: | Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
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6BN8
 | | Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET55 PROTAC. | | Descriptor: | Bromodomain-containing protein 4, DNA damage-binding protein 1,DNA damage-binding protein 1, Protein cereblon, ... | | Authors: | Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S. | | Deposit date: | 2017-11-16 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.990035 Å) | | Cite: | Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
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6BOY
 | | Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET6 PROTAC. | | Descriptor: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(8-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}octyl)acetamide, Bromodomain-containing protein 4, DNA damage-binding protein 1, ... | | Authors: | Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S. | | Deposit date: | 2017-11-21 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.33 Å) | | Cite: | Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
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