7KZF
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6WWZ
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![BU of 6wwz by Molmil](/molmil-images/mine/6wwz) | Cryo-EM structure of the human chemokine receptor CCR6 in complex with CCL20 and a Go protein | Descriptor: | C-C chemokine receptor type 6,C-C chemokine receptor type 6, C-C motif chemokine 20, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Wasilko, D.J, Johnson, Z.L, Ammirati, M, Han, S, Wu, H. | Deposit date: | 2020-05-09 | Release date: | 2020-06-24 | Last modified: | 2020-07-01 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | Structural basis for chemokine receptor CCR6 activation by the endogenous protein ligand CCL20. Nat Commun, 11, 2020
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6WXY
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![BU of 6wxy by Molmil](/molmil-images/mine/6wxy) | crystal structure of cA6-bound Card1 | Descriptor: | Card1, cA6 | Authors: | Rostol, J, Xie, W, Patel, D.J, Marraffini, L. | Deposit date: | 2020-05-12 | Release date: | 2020-12-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Card1 nuclease provides defence during type III CRISPR immunity. Nature, 590, 2021
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6WJH
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6WXW
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6WYV
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![BU of 6wyv by Molmil](/molmil-images/mine/6wyv) | E. coli 50S ribosome bound to compounds 47 and VS1 | Descriptor: | (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, 23S ribosomal RNA, 50S ribosomal protein L13, ... | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | Deposit date: | 2020-05-13 | Release date: | 2020-06-17 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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6WEP
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![BU of 6wep by Molmil](/molmil-images/mine/6wep) | Crystal structure of TS-DHFR from Cryptosporidium hominis with Apo-TS site | Descriptor: | Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Czyzyk, D.J, Ruiz, V.G, Kumar, V.P, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-04-02 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Targeting the TS dimer interface in bifunctional Cryptosporidium hominis TS-DHFR from parasitic protozoa: Virtual screening identifies novel TS allosteric inhibitor Bioorg.Med.Chem.Lett., 30, 2020
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6WXX
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![BU of 6wxx by Molmil](/molmil-images/mine/6wxx) | crystal structure of cA4-activated Card1 | Descriptor: | Card1, MANGANESE (II) ION, cA4 | Authors: | Rostol, J, Xie, W, Patel, D.J, Marraffini, L. | Deposit date: | 2020-05-12 | Release date: | 2020-12-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Card1 nuclease provides defence during type III CRISPR immunity. Nature, 590, 2021
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6WMQ
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6WMS
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6WWA
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![BU of 6wwa by Molmil](/molmil-images/mine/6wwa) | Crystal structure of human SHLD2-SHLD3-REV7 complex | Descriptor: | Mitotic spindle assembly checkpoint protein MAD2B, Shieldin complex subunit 2,Shieldin complex subunit 3 chimera | Authors: | Xie, W, Patel, D.J. | Deposit date: | 2020-05-08 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Molecular mechanisms of assembly and TRIP13-mediated remodeling of the human Shieldin complex. Proc.Natl.Acad.Sci.USA, 118, 2021
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6WW9
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![BU of 6ww9 by Molmil](/molmil-images/mine/6ww9) | Crystal structure of human REV7(R124A)-SHLD3(35-58) complex | Descriptor: | Mitotic spindle assembly checkpoint protein MAD2B, Shieldin complex subunit 3 | Authors: | Xie, W, Patel, D.J. | Deposit date: | 2020-05-08 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular mechanisms of assembly and TRIP13-mediated remodeling of the human Shieldin complex. Proc.Natl.Acad.Sci.USA, 118, 2021
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6XL1
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![BU of 6xl1 by Molmil](/molmil-images/mine/6xl1) | crystal structure of cA4-activated Card1(D294N) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Card1, MANGANESE (II) ION, ... | Authors: | Rostol, J, Xie, W, Patel, D.J, Marraffini, L. | Deposit date: | 2020-06-27 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Card1 nuclease provides defence during type III CRISPR immunity. Nature, 590, 2021
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6XA9
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![BU of 6xa9 by Molmil](/molmil-images/mine/6xa9) | SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide | Descriptor: | GLYCEROL, ISG15 CTD-propargylamide, Non-structural protein 3, ... | Authors: | Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D. | Deposit date: | 2020-06-04 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2. Embo J., 39, 2020
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6XVK
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![BU of 6xvk by Molmil](/molmil-images/mine/6xvk) | Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor bearing an acrylamide | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | Deposit date: | 2020-01-22 | Release date: | 2020-05-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors. J.Am.Chem.Soc., 142, 2020
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6XAA
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![BU of 6xaa by Molmil](/molmil-images/mine/6xaa) | SARS CoV-2 PLpro in complex with ubiquitin propargylamide | Descriptor: | Non-structural protein 3, Ubiquitin-propargylamide, ZINC ION | Authors: | Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D. | Deposit date: | 2020-06-04 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2. Embo J., 39, 2020
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6XVA
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![BU of 6xva by Molmil](/molmil-images/mine/6xva) | Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor bearing an acrylamide | Descriptor: | Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | Deposit date: | 2020-01-21 | Release date: | 2020-05-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors. J.Am.Chem.Soc., 142, 2020
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6XV9
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![BU of 6xv9 by Molmil](/molmil-images/mine/6xv9) | Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor | Descriptor: | Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | Authors: | Ogg, D.J, Howard, T, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | Deposit date: | 2020-01-21 | Release date: | 2020-05-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.38 Å) | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors. J.Am.Chem.Soc., 142, 2020
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6XVB
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![BU of 6xvb by Molmil](/molmil-images/mine/6xvb) | Crystal structure of the kinase domain of human c-KIT with a cyclic imidate inhibitor covalently bound to Cys788 | Descriptor: | Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | Deposit date: | 2020-01-21 | Release date: | 2020-05-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors. J.Am.Chem.Soc., 142, 2020
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6XWO
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6XWN
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6XWQ
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6XVJ
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![BU of 6xvj by Molmil](/molmil-images/mine/6xvj) | Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | Deposit date: | 2020-01-22 | Release date: | 2020-05-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors. J.Am.Chem.Soc., 142, 2020
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6XWP
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6Y5K
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