8D6C
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![BU of 8d6c by Molmil](/molmil-images/mine/8d6c) | Crystal Structure of Human Myt1 Kinase domain Bounded with compound 28 | Descriptor: | (1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | Deposit date: | 2022-06-06 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306. J.Med.Chem., 65, 2022
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5DT4
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![BU of 5dt4 by Molmil](/molmil-images/mine/5dt4) | Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 | Descriptor: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | Deposit date: | 2015-09-17 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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6M4H
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![BU of 6m4h by Molmil](/molmil-images/mine/6m4h) | Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2 | Descriptor: | DNA (103-MER), Histone H2A-Bbd type 2/3, Histone H2B type 2-E, ... | Authors: | Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q. | Deposit date: | 2020-03-07 | Release date: | 2020-09-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2. Embo J., 40, 2021
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4U1E
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![BU of 4u1e by Molmil](/molmil-images/mine/4u1e) | Crystal structure of the eIF3b-CTD/eIF3i/eIF3g-NTD translation initiation complex | Descriptor: | Eukaryotic translation initiation factor 3 subunit B, Eukaryotic translation initiation factor 3 subunit G, Eukaryotic translation initiation factor 3 subunit I | Authors: | Zhang, S, Erzberger, J.P, Schaefer, T, Ban, N. | Deposit date: | 2014-07-15 | Release date: | 2014-09-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular Architecture of the 40SeIF1eIF3 Translation Initiation Complex. Cell, 158, 2014
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1AEP
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![BU of 1aep by Molmil](/molmil-images/mine/1aep) | |
7WYB
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![BU of 7wyb by Molmil](/molmil-images/mine/7wyb) | ADGRL3/Gi complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | He, Y, Qian, Y. | Deposit date: | 2022-02-15 | Release date: | 2022-10-26 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Structural insights into adhesion GPCR ADGRL3 activation and G q , G s , G i , and G 12 coupling. Mol.Cell, 82, 2022
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7KOG
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![BU of 7kog by Molmil](/molmil-images/mine/7kog) | Lethocerus Myosin II complete coiled-coil domain resolved in its native environment | Descriptor: | Myosin heavy chain isoform Mhc_X1 | Authors: | Rahmani, H, Hu, Z, Daneshparvar, N, Taylor, D, Taylor, K.A. | Deposit date: | 2020-11-09 | Release date: | 2021-03-24 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4.25 Å) | Cite: | The myosin II coiled-coil domain atomic structure in its native environment. Proc.Natl.Acad.Sci.USA, 118, 2021
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5AAD
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![BU of 5aad by Molmil](/molmil-images/mine/5aad) | Aurora A kinase bound to an imidazopyridine inhibitor (7a) | Descriptor: | 7-(1-benzyl-1H-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine, AURORA KINASE A, SULFATE ION | Authors: | McIntyre, P.J, Kosmopoulou, M, Bayliss, R. | Deposit date: | 2015-07-24 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent. Bioorg.Med.Chem.Lett., 25, 2015
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4U7Z
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![BU of 4u7z by Molmil](/molmil-images/mine/4u7z) | Mitogen-Activated Protein Kinase Kinase (MEK1) bound to G805 | Descriptor: | 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Robarge, K.D, Ultsch, M.H, Wiesmann, C. | Deposit date: | 2014-07-31 | Release date: | 2014-09-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.805 Å) | Cite: | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg.Med.Chem.Lett., 24, 2014
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7YHH
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![BU of 7yhh by Molmil](/molmil-images/mine/7yhh) | |
5A6F
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![BU of 5a6f by Molmil](/molmil-images/mine/5a6f) | Cryo-EM structure of the Slo2.2 Na-activated K channel | Descriptor: | GATING RING OF POTASSIUM CHANNEL SUBFAMILY T MEMBER 1, RCK2 ELABORATION OF POTASSIUM CHANNEL SUBFAMILY T MEMBER 1 | Authors: | Hite, R.K, Yuan, P, Li, Z, Hsuing, Y, Walz, T, MacKinnon, R. | Deposit date: | 2015-06-25 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-Electron Microscopy Structure of the Slo2.2 Na1-Activated K1 Channel Nature, 527, 2015
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7YHG
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![BU of 7yhg by Molmil](/molmil-images/mine/7yhg) | |
7YHF
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![BU of 7yhf by Molmil](/molmil-images/mine/7yhf) | |
7YHI
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![BU of 7yhi by Molmil](/molmil-images/mine/7yhi) | |
6QWG
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![BU of 6qwg by Molmil](/molmil-images/mine/6qwg) | Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase from Achromobacter cycloclastes: Nitrite complex at Room Temperature | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION | Authors: | Ebrahim, A.E, Moreno-Chicano, T, Appleby, M.V, Worrall, J.W, Duyvesteyn, H.M.E, Strange, R.W, Beale, J, Axford, D, Sherrell, D.A, Sugimoto, H, Owada, S, Tono, K, Owen, R.L. | Deposit date: | 2019-03-05 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography. Iucrj, 6, 2019
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7UFI
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![BU of 7ufi by Molmil](/molmil-images/mine/7ufi) | VchTnsC AAA+ ATPase with DNA, single heptamer | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*CP*TP*CP*CP*AP*GP*TP*AP*CP*AP*GP*CP*GP*CP*GP*GP*CP*TP*GP*AP*A)-3'), DNA (5'-D(P*TP*TP*CP*AP*GP*CP*CP*GP*CP*GP*CP*TP*GP*TP*AP*CP*TP*GP*GP*AP*G)-3'), ... | Authors: | Fernandez, I.S, Sternberg, S.H. | Deposit date: | 2022-03-22 | Release date: | 2022-06-08 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Selective TnsC recruitment enhances the fidelity of RNA-guided transposition. Nature, 609, 2022
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7YAZ
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![BU of 7yaz by Molmil](/molmil-images/mine/7yaz) | Crystal structure of ZAK in complex with compound YH-186 | Descriptor: | Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[2,4-bis(fluoranyl)-3-[4-[3-[(3~{S})-1-propanoylpyrrolidin-3-yl]oxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl]-1,2,3-triazol-1-yl]phenyl]-3-phenyl-benzenesulfonamide | Authors: | Kong, L.L, Yun, C.H. | Deposit date: | 2022-06-28 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov). J.Med.Chem., 66, 2023
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7YAW
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![BU of 7yaw by Molmil](/molmil-images/mine/7yaw) | Crystal structure of ZAK in complex with compound YH-180 | Descriptor: | Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[3-[[5-[1-[2,6-bis(fluoranyl)-3-[(3-phenylphenyl)sulfonylamino]phenyl]-1,2,3-triazol-4-yl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]oxy]propyl]propanamide | Authors: | Kong, L.L, Yun, C.H. | Deposit date: | 2022-06-28 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov). J.Med.Chem., 66, 2023
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4U1D
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![BU of 4u1d by Molmil](/molmil-images/mine/4u1d) | |
4TWP
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![BU of 4twp by Molmil](/molmil-images/mine/4twp) | The crystal structure of human abl1 T315I gatekeeper mutant kinase domain in complex with axitinib | Descriptor: | AXITINIB, NICKEL (II) ION, SODIUM ION, ... | Authors: | Johnson, E, McTigue, M, Cronin, C.N. | Deposit date: | 2014-07-01 | Release date: | 2015-02-11 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Axitinib effectively inhibits BCR-ABL1(T315I) with a distinct binding conformation. Nature, 519, 2015
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4Z98
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![BU of 4z98 by Molmil](/molmil-images/mine/4z98) | Crystal Structure of Hen Egg White Lysozyme using Serial X-ray Diffraction Data Collection | Descriptor: | ACETATE ION, Lysozyme C | Authors: | Murray, T.D, Lyubimov, A.Y, Ogata, C.M, Uervirojnangkoorn, M, Brunger, A.T, Berger, J.M. | Deposit date: | 2015-04-10 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A high-transparency, micro-patternable chip for X-ray diffraction analysis of microcrystals under native growth conditions. Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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6M4G
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![BU of 6m4g by Molmil](/molmil-images/mine/6m4g) | Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2 | Descriptor: | DNA (93-MER), Histone H2A-Bbd type 2/3, Histone H2B type 2-E, ... | Authors: | Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q. | Deposit date: | 2020-03-06 | Release date: | 2020-09-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2. Embo J., 40, 2021
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7JQ9
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![BU of 7jq9 by Molmil](/molmil-images/mine/7jq9) | Cryo-EM structure of human HUWE1 | Descriptor: | E3 ubiquitin-protein ligase HUWE1 | Authors: | Hunkeler, M, Fischer, E.S. | Deposit date: | 2020-08-10 | Release date: | 2021-07-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Solenoid architecture of HUWE1 contributes to ligase activity and substrate recognition. Mol.Cell, 81, 2021
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6LT0
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![BU of 6lt0 by Molmil](/molmil-images/mine/6lt0) | cryo-EM structure of C9ORF72-SMCR8-WDR41 | Descriptor: | Guanine nucleotide exchange C9orf72, Guanine nucleotide exchange protein SMCR8, WD repeat-containing protein 41 | Authors: | Tang, D, Sheng, J, Xu, L, Zhan, X, Yan, C, Qi, S. | Deposit date: | 2020-01-21 | Release date: | 2020-04-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of C9ORF72-SMCR8-WDR41 reveals the role as a GAP for Rab8a and Rab11a. Proc.Natl.Acad.Sci.USA, 117, 2020
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4U1F
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![BU of 4u1f by Molmil](/molmil-images/mine/4u1f) | |