7OD0
 
 | | Mirolysin in complex with compound 9 | | Descriptor: | 1,2-ETHANEDIOL, 2,1,3-benzothiadiazol-4-ylmethanamine, ACETATE ION, ... | | Authors: | Zak, K.M, Bostock, M.J, Ksiazek, M. | | Deposit date: | 2021-04-28 | | Release date: | 2021-08-04 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Latency, thermal stability, and identification of an inhibitory compound of mirolysin, a secretory protease of the human periodontopathogen Tannerella forsythia .
J Enzyme Inhib Med Chem, 36, 2021
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7OIB
 | | Cryo-EM structure of late human 39S mitoribosome assembly intermediates, state 3D | | Descriptor: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | | Authors: | Cheng, J, Berninghausen, O, Beckmann, R. | | Deposit date: | 2021-05-11 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | A distinct assembly pathway of the human 39S late pre-mitoribosome.
Nat Commun, 12, 2021
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7O2H
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 13 (ADO_AD_091) | | Descriptor: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1-methyl-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | | Deposit date: | 2021-03-30 | | Release date: | 2021-09-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the human METTL3-METTL14 complex bound to Compound 13 (ADO_AD_091)
To Be Published
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7O27
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 17 (ADO_AE_005) | | Descriptor: | 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Dolbois, A, Caflisch, A. | | Deposit date: | 2021-03-30 | | Release date: | 2021-09-15 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the human METTL3-METTL14 complex bound to Compound 17 (ADO_AE_005)
To Be Published
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7OIA
 | | Cryo-EM structure of late human 39S mitoribosome assembly intermediates, state 3C | | Descriptor: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | | Authors: | Cheng, J, Berninghausen, O, Beckmann, R. | | Deposit date: | 2021-05-11 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | A distinct assembly pathway of the human 39S late pre-mitoribosome.
Nat Commun, 12, 2021
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7OKQ
 | | Cryo-EM Structure of the DDB1-DCAF1-CUL4A-RBX1 Complex | | Descriptor: | Cullin-4A, DDB1- and CUL4-associated factor 1, DNA damage-binding protein 1, ... | | Authors: | Mohamed, W.I, Schenk, A.D, Kempf, G, Cavadini, S, Thoma, N.H. | | Deposit date: | 2021-05-18 | | Release date: | 2021-10-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (8.4 Å) | | Cite: | The CRL4 DCAF1 cullin-RING ubiquitin ligase is activated following a switch in oligomerization state.
Embo J., 40, 2021
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7OEI
 | | Crystal structure of the human METTL3-METTL14 complex with compound UOZ083 | | Descriptor: | (3~{R})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{H}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | | Deposit date: | 2021-05-03 | | Release date: | 2021-10-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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7OIL
 | | mPI3Kd in complex with compound 58 | | Descriptor: | 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION | | Authors: | Petersen, J. | | Deposit date: | 2021-05-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
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7OI9
 | | Cryo-EM structure of late human 39S mitoribosome assembly intermediates, state 3B | | Descriptor: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | | Authors: | Cheng, J, Berninghausen, O, Beckmann, R. | | Deposit date: | 2021-05-11 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | A distinct assembly pathway of the human 39S late pre-mitoribosome.
Nat Commun, 12, 2021
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7OIE
 | | Cryo-EM structure of late human 39S mitoribosome assembly intermediates, state 5B | | Descriptor: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | | Authors: | Cheng, J, Berninghausen, O, Beckmann, R. | | Deposit date: | 2021-05-11 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | A distinct assembly pathway of the human 39S late pre-mitoribosome.
Nat Commun, 12, 2021
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7OI7
 | | Cryo-EM structure of late human 39S mitoribosome assembly intermediates, state 2 | | Descriptor: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | | Authors: | Cheng, J, Berninghausen, O, Beckmann, R. | | Deposit date: | 2021-05-11 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | A distinct assembly pathway of the human 39S late pre-mitoribosome.
Nat Commun, 12, 2021
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7OIC
 | | Cryo-EM structure of late human 39S mitoribosome assembly intermediates, state 4 | | Descriptor: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | | Authors: | Cheng, J, Berninghausen, O, Beckmann, R. | | Deposit date: | 2021-05-11 | | Release date: | 2021-09-15 | | Last modified: | 2021-10-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A distinct assembly pathway of the human 39S late pre-mitoribosome.
Nat Commun, 12, 2021
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7OI8
 | | Cryo-EM structure of late human 39S mitoribosome assembly intermediates, state 3A | | Descriptor: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | | Authors: | Cheng, J, Berninghausen, O, Beckmann, R. | | Deposit date: | 2021-05-11 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | A distinct assembly pathway of the human 39S late pre-mitoribosome.
Nat Commun, 12, 2021
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7OID
 | | Cryo-EM structure of late human 39S mitoribosome assembly intermediates, state 5A | | Descriptor: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | | Authors: | Cheng, J, Berninghausen, O, Beckmann, R. | | Deposit date: | 2021-05-11 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | A distinct assembly pathway of the human 39S late pre-mitoribosome.
Nat Commun, 12, 2021
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7O2P
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ITF3756 | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Zrubek, K, Sandrone, G, Cukier, C.D, Stevenazzi, A. | | Deposit date: | 2021-03-31 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Role of Fluorination in the Histone Deacetylase 6 (HDAC6) Selectivity of Benzohydroxamate-Based Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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4W4X
 | | JNK2/3 in complex with 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide | | Descriptor: | 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-jun NH2-terminal kinase 3 | | Authors: | Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P. | | Deposit date: | 2014-08-15 | | Release date: | 2015-02-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles.
Sci Rep, 5, 2015
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4W8E
 | | Structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06645342) | | Descriptor: | 3-{4-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Serine/threonine-protein kinase 24 36 kDa subunit | | Authors: | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | | Deposit date: | 2014-08-24 | | Release date: | 2015-03-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor.
J.Med.Chem., 58, 2015
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6NFK
 | | Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B with loop 7 from APOBEC3G bound to iodide | | Descriptor: | 1,2-ETHANEDIOL, DNA dC->dU-editing enzyme APOBEC-3B, IODIDE ION | | Authors: | Shi, K, Orellana, K, Aihara, H. | | Deposit date: | 2018-12-20 | | Release date: | 2019-12-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Active site plasticity and possible modes of chemical inhibition of the human DNA deaminase APOBEC3B
Faseb Bioadv, 2, 2020
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4WER
 | | Crystal structure of diacylglycerol kinase catalytic domain protein from Enterococcus faecalis V583 | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Diacylglycerol kinase catalytic domain protein | | Authors: | Chang, C, Clancy, S, Hatzos-Skintges, C, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-09-10 | | Release date: | 2014-09-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of diacylglycerol kinase catalytic domain protein from Enterococcus faecalis V583
To Be Published
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6NCG
 | | Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to pyridin-benzenesulfonamide inhibitor | | Descriptor: | 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)pyridin-3-yl]benzene-1-sulfonamide, SULFATE ION, Serine/threonine-protein kinase VRK2 | | Authors: | dos Reis, C.V, Chiodi, C.G, de Souza, G.P, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Counago, R.M, Massirer, K.B, Elkins, J.M, Arruda, P, Edwards, A.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-12-11 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to pyridin-benzenesulfonamide inhibitor
To Be Published
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6NKG
 | | Crystal Structure of the Lipase Lip_vut5 from Goat Rumen metagenome. | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Lip_vut5, ... | | Authors: | Kim, Y, Welk, L, Mukendi, G, Nkhi, G, Motloi, T, Jedrzejczak, R, Feto, N, Joachimiak, A. | | Deposit date: | 2019-01-07 | | Release date: | 2020-01-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal Structure of the Lipase Lip_vut5 from Goat Rumen metagenome.
To Be Published
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6NFH
 | | BTK in complex with inhibitor 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione | | Descriptor: | 1,2-ETHANEDIOL, 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione, Tyrosine-protein kinase BTK | | Authors: | Mirzadegan, T, Damm-Ganamet, K.L. | | Deposit date: | 2018-12-20 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Accelerating Lead Identification by High Throughput Virtual Screening: Prospective Case Studies from the Pharmaceutical Industry.
J.Chem.Inf.Model., 59, 2019
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6NE9
 | | Bacteroides intestinalis acetyl xylan esterase (BACINT_01039) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Koropatkin, N.M, Pereira, G.V, Cann, I. | | Deposit date: | 2018-12-17 | | Release date: | 2019-12-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.738 Å) | | Cite: | Degradation of complex arabinoxylans by human colonic Bacteroidetes
Nat Commun, 2021
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5VVW
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5VWX
 | | Bak core latch dimer in complex with Bim-h0-h3Glt | | Descriptor: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11 | | Authors: | Brouwer, J.M, Lan, P, Lessene, G, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2017-05-23 | | Release date: | 2017-11-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.489 Å) | | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
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