7MGO
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![BU of 7mgo by Molmil](/molmil-images/mine/7mgo) | Crystal structure of F501H variant of 2-ketopropyl coenzyme M oxidoreductase/carboxylase (2-KPCC) from Xanthobacter autotrophicus | Descriptor: | 1-THIOETHANESULFONIC ACID, 2-oxopropyl-CoM reductase, carboxylating, ... | Authors: | Prussia, G, Zadvornyy, O.A, Peters, J.W. | Deposit date: | 2021-04-13 | Release date: | 2021-07-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The unique Phe-His dyad of 2-ketopropyl coenzyme M oxidoreductase/carboxylase selectively promotes carboxylation and S-C bond cleavage. J.Biol.Chem., 297, 2021
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7O7F
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![BU of 7o7f by Molmil](/molmil-images/mine/7o7f) | Structural basis of the activation of the CC chemokine receptor 5 by a chemokine agonist | Descriptor: | C-C chemokine receptor type 5, C-C motif chemokine 5, Fab antibody fragment heavy chain, ... | Authors: | Isaikina, P, Tsai, C.-J, Dietz, N.B, Pamula, F, Goldie, K.N, Schertler, G.F.X, Maier, T, Stahlberg, H, Deupi, X, Grzesiek, S. | Deposit date: | 2021-04-13 | Release date: | 2021-06-30 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Structural basis of the activation of the CC chemokine receptor 5 by a chemokine agonist. Sci Adv, 7, 2021
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7O7K
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![BU of 7o7k by Molmil](/molmil-images/mine/7o7k) | Crystal structure of the human DYRK1A kinase domain bound to abemaciclib | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kaltheuner, I.H, Anand, K, Geyer, M. | Deposit date: | 2021-04-13 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation. Nat Commun, 12, 2021
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7O7I
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7O7J
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![BU of 7o7j by Molmil](/molmil-images/mine/7o7j) | Crystal structure of the human HIPK3 kinase domain bound to abemaciclib | Descriptor: | Homeodomain-interacting protein kinase 3, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine | Authors: | Kaltheuner, I.H, Anand, K, Geyer, M. | Deposit date: | 2021-04-13 | Release date: | 2021-11-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation. Nat Commun, 12, 2021
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7MGE
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![BU of 7mge by Molmil](/molmil-images/mine/7mge) | Structure of C9orf72:SMCR8:WDR41 in complex with ARF1 | Descriptor: | ADP-ribosylation factor 1, BERYLLIUM TRIFLUORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Su, M.-Y, Hurley, J.H. | Deposit date: | 2021-04-12 | Release date: | 2021-06-23 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.94 Å) | Cite: | Structural basis for the ARF GAP activity and specificity of the C9orf72 complex. Nat Commun, 12, 2021
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7MGN
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![BU of 7mgn by Molmil](/molmil-images/mine/7mgn) | Crystal structure of F501H/H506E variant of 2-ketopropyl coenzyme M oxidoreductase/carboxylase (2-KPCC) from Xanthobacter autotrophicus | Descriptor: | 1-THIOETHANESULFONIC ACID, 2-oxopropyl-CoM reductase, carboxylating, ... | Authors: | Zadvornyy, O.A, Prussia, G, Peters, J.W. | Deposit date: | 2021-04-12 | Release date: | 2021-07-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The unique Phe-His dyad of 2-ketopropyl coenzyme M oxidoreductase/carboxylase selectively promotes carboxylation and S-C bond cleavage. J.Biol.Chem., 297, 2021
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7MFZ
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7MFY
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7ELW
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![BU of 7elw by Molmil](/molmil-images/mine/7elw) | Crystal structure of RNase L in complex with Myricetin | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, PHOSPHATE ION, Ribonuclease L, ... | Authors: | Tang, J, Huang, H. | Deposit date: | 2021-04-12 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery J.Med.Chem., 65, 2022
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7O70
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![BU of 7o70 by Molmil](/molmil-images/mine/7o70) | KRasG12C ligand complex | Descriptor: | 1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2, CALCIUM ION, GTPase KRas, ... | Authors: | Phillips, C. | Deposit date: | 2021-04-12 | Release date: | 2022-04-20 | Last modified: | 2022-05-25 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C . J.Med.Chem., 65, 2022
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7O6R
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![BU of 7o6r by Molmil](/molmil-images/mine/7o6r) | |
7ELJ
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![BU of 7elj by Molmil](/molmil-images/mine/7elj) | |
7MFX
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7O60
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![BU of 7o60 by Molmil](/molmil-images/mine/7o60) | Crystal structure of human myelin protein P2 at room temperature from joint X-ray and neutron refinement. | Descriptor: | CITRIC ACID, Myelin P2 protein, PALMITIC ACID | Authors: | Laulumaa, S, Blakeley, M.P, Kursula, P. | Deposit date: | 2021-04-09 | Release date: | 2021-09-01 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | Cite: | Human myelin protein P2: from crystallography to time-lapse membrane imaging and neuropathy-associated variants. Febs J., 288, 2021
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7MFD
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![BU of 7mfd by Molmil](/molmil-images/mine/7mfd) | Autoinhibited BRAF:(14-3-3)2:MEK complex with the BRAF RBD resolved | Descriptor: | 14-3-3 protein zeta/delta, Dual specificity mitogen-activated protein kinase kinase 1, N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide, ... | Authors: | Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K. | Deposit date: | 2021-04-09 | Release date: | 2022-01-26 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding. Nat Commun, 13, 2022
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7O6B
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![BU of 7o6b by Molmil](/molmil-images/mine/7o6b) | Cooperation between the intrinsically disordered and ordered regions of Spt6 regulates nucleosome and Pol II CTD binding, and nucleosome assembly | Descriptor: | Transcription elongation factor SPT6 | Authors: | Kasiliauskaite, A, Kubicek, K, Klumpler, T, Zanova, M, Zapletal, D, Novacek, J, Stefl, R. | Deposit date: | 2021-04-09 | Release date: | 2022-04-20 | Last modified: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (3.88 Å) | Cite: | Cooperation between intrinsically disordered and ordered regions of Spt6 regulates nucleosome and Pol II CTD binding, and nucleosome assembly. Nucleic Acids Res., 50, 2022
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7ELE
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7ELD
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7MF0
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![BU of 7mf0 by Molmil](/molmil-images/mine/7mf0) | Co-crystal structure of PERK with inhibitor (R)-2-amino-N-cyclopropyl-5-(4-(2-(3,5-difluorophenyl)-2-hydroxyacetamido)-2-methylphenyl)nicotinamide | Descriptor: | 2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3 | Authors: | Wiens, B, Koszelak-Rosenblum, M, Surman, M.D, Zhu, G, Mulvihill, M.J. | Deposit date: | 2021-04-08 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.809 Å) | Cite: | Discovery of 2-amino-3-amido-5-aryl-pyridines as highly potent, orally bioavailable, and efficacious PERK kinase inhibitors. Bioorg.Med.Chem.Lett., 43, 2021
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7MEW
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![BU of 7mew by Molmil](/molmil-images/mine/7mew) | E. coli MsbA in complex with G247 | Descriptor: | (2E)-3-{1-cyclopropyl-7-[(1S)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid, ATP-dependent lipid A-core flippase | Authors: | Thelot, F, Liao, M. | Deposit date: | 2021-04-08 | Release date: | 2021-10-06 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Distinct allosteric mechanisms of first-generation MsbA inhibitors. Science, 374, 2021
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7MF3
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![BU of 7mf3 by Molmil](/molmil-images/mine/7mf3) | Structure of the autoinhibited state of smooth muscle myosin-2 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin light polypeptide 6, ... | Authors: | Heissler, S.M, Arora, A.S, Billington, N, Sellers, J.R, Chinthalapudi, K. | Deposit date: | 2021-04-08 | Release date: | 2022-01-05 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structure of the autoinhibited state of myosin-2. Sci Adv, 7, 2021
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7MET
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![BU of 7met by Molmil](/molmil-images/mine/7met) | A. baumannii MsbA in complex with TBT1 decoupler | Descriptor: | 2-(4-chlorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, ATP-dependent lipid A-core flippase | Authors: | Thelot, F, Liao, M. | Deposit date: | 2021-04-07 | Release date: | 2021-10-06 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.97 Å) | Cite: | Distinct allosteric mechanisms of first-generation MsbA inhibitors. Science, 374, 2021
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7MEQ
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![BU of 7meq by Molmil](/molmil-images/mine/7meq) | Crystal structure of human TMPRSS2 in complex with Nafamostat | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, Transmembrane protease serine 2, ... | Authors: | Fraser, B, Beldar, S, Hutchinson, A, Li, Y, Seitova, A, Edwards, A.M, Benard, F, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2021-04-07 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure and activity of human TMPRSS2 protease implicated in SARS-CoV-2 activation. Nat.Chem.Biol., 18, 2022
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7MDY
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![BU of 7mdy by Molmil](/molmil-images/mine/7mdy) | LolCDE nucleotide-bound | Descriptor: | ADP ORTHOVANADATE, Lipo-releasing system transmembrane protein lolC, Lipoprotein transporter subunit LolE, ... | Authors: | Sharma, S, Liao, M. | Deposit date: | 2021-04-06 | Release date: | 2021-08-11 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Mechanism of LolCDE as a molecular extruder of bacterial triacylated lipoproteins Nat Commun, 12, 2021
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