8G72
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![BU of 8g72 by Molmil](/molmil-images/mine/8g72) | SARS-CoV-2 spike/Nb2 complex with 1 RBD up (local refinement at 5.6 A) | Descriptor: | Nanosota-2, Spike glycoprotein | Authors: | Ye, G, Bu, F, Liu, B, Li, F. | Deposit date: | 2023-02-16 | Release date: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19. J.Virol., 97, 2023
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8G74
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![BU of 8g74 by Molmil](/molmil-images/mine/8g74) | SARS-CoV-2 spike/Nb3 complex with 1 RBD up and 2 Nb3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-3, ... | Authors: | Ye, G, Bu, F, Liu, B, Li, F. | Deposit date: | 2023-02-16 | Release date: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19. J.Virol., 97, 2023
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8G73
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![BU of 8g73 by Molmil](/molmil-images/mine/8g73) | SARS-CoV-2 spike/Nb3 complex with 2 RBDs up and 3 Nb3 bound at 2.5 A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-3, ... | Authors: | Ye, G, Bu, F, Liu, B, Li, F. | Deposit date: | 2023-02-16 | Release date: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19. J.Virol., 97, 2023
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8G75
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![BU of 8g75 by Molmil](/molmil-images/mine/8g75) | SARS-CoV-2 spike/Nb4 complex with 2 RBDs up and 3 Nb4 bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-4, ... | Authors: | Ye, G, Bu, F, Liu, B, Li, F. | Deposit date: | 2023-02-16 | Release date: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19. J.Virol., 97, 2023
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8G71
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![BU of 8g71 by Molmil](/molmil-images/mine/8g71) | Spike/Nb2 complex with 1 RBD up | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Ye, G, Bu, F, Liu, B, Li, F. | Deposit date: | 2023-02-16 | Release date: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | SARS-CoV-2 spike/Nb2 complex with 1 RBD up To Be Published
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8G79
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![BU of 8g79 by Molmil](/molmil-images/mine/8g79) | |
8G6H
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![BU of 8g6h by Molmil](/molmil-images/mine/8g6h) | |
6WBS
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![BU of 6wbs by Molmil](/molmil-images/mine/6wbs) | Human CFTR first nucleotide binding domain with dF508/V510D | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Simon, K.S, Kothe, M, Hilbert, B, Batchelor, J.D, Hurlbut, G.D. | Deposit date: | 2020-03-27 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.857 Å) | Cite: | Determining the Molecular Mechanism of Suppressor Mutation V510D and the Contribution of Helical Unraveling to the dF508-CFTR Defect To Be Published
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5O0W
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![BU of 5o0w by Molmil](/molmil-images/mine/5o0w) | Crystal structure of the complex between Nb474 and Trypanosoma congolense fructose-1,6-bisphosphate aldolase | Descriptor: | Fructose-bisphosphate aldolase, GLYCEROL, Nb474 | Authors: | Pinto, J, Magez, S, Sterckx, Y. | Deposit date: | 2017-05-17 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structural basis for the high specificity of a Trypanosoma congolense immunoassay targeting glycosomal aldolase. PLoS Negl Trop Dis, 11, 2017
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7UP6
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![BU of 7up6 by Molmil](/molmil-images/mine/7up6) | Crystal structure of C-terminal domain of MSK1 in complex with in covalently bound literature RSK2 inhibitor pyrrolopyrimidine cyanoacrylamide compound 25 (co-crystal) | Descriptor: | (E)-3-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)-2-cyanoacrylamide bound form, OXAMIC ACID, Ribosomal protein S6 kinase alpha-5 | Authors: | Yano, J.K, Abendroth, J, Hall, A. | Deposit date: | 2022-04-14 | Release date: | 2022-08-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1. Acs Med.Chem.Lett., 13, 2022
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7UP4
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![BU of 7up4 by Molmil](/molmil-images/mine/7up4) | Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 20 (co-crystal) | Descriptor: | (5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine, Ribosomal protein S6 kinase alpha-5 | Authors: | Yano, J.K, Abendroth, J, Hall, A. | Deposit date: | 2022-04-14 | Release date: | 2022-07-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1. Acs Med.Chem.Lett., 13, 2022
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7UP8
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![BU of 7up8 by Molmil](/molmil-images/mine/7up8) | |
7UP5
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![BU of 7up5 by Molmil](/molmil-images/mine/7up5) | Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 23 (co-crystal) | Descriptor: | (2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile, IODIDE ION, Ribosomal protein S6 kinase alpha-5 | Authors: | Yano, J.K, Edwards, T.E, Hall, A. | Deposit date: | 2022-04-14 | Release date: | 2022-07-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1. Acs Med.Chem.Lett., 13, 2022
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5OR2
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![BU of 5or2 by Molmil](/molmil-images/mine/5or2) | Crystal structures of PYR1/HAB1 in complex with synthetic analogues of Abscisic Acid | Descriptor: | (2~{Z},4~{E})-3-cyclopropyl-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienoic acid, Abscisic acid receptor PYR1, MANGANESE (II) ION, ... | Authors: | Freigang, J. | Deposit date: | 2017-08-15 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights into the in Vitro and in Vivo SAR of Abscisic Acid - Exploring Unprecedented Variations of the Side Chain via Cross-Coupling-Mediated Syntheses Eur.J.Org.Chem., 2018
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7UP7
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![BU of 7up7 by Molmil](/molmil-images/mine/7up7) | Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound with literature RSK2 inhibitor indazole cyanoacrylamide compound 26 (soak) | Descriptor: | (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide, Ribosomal protein S6 kinase alpha-5 | Authors: | Yano, J.K, Abendroth, J, Hall, A. | Deposit date: | 2022-04-14 | Release date: | 2022-07-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1. Acs Med.Chem.Lett., 13, 2022
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8OR4
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![BU of 8or4 by Molmil](/molmil-images/mine/8or4) | Partially dissociated CAND1-CUL1-RBX1-SKP1-SKP2-CKS1-CDK2 | Descriptor: | Cullin-1, Cullin-associated NEDD8-dissociated protein 1, Cyclin-dependent kinase 2, ... | Authors: | Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I. | Deposit date: | 2023-04-13 | Release date: | 2023-06-28 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange. Mol.Cell, 83, 2023
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8OR3
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![BU of 8or3 by Molmil](/molmil-images/mine/8or3) | CAND1-CUL1-RBX1-SKP1-SKP2-DCNL1 | Descriptor: | Cullin-1, Cullin-associated NEDD8-dissociated protein 1, DCN1-like protein 1, ... | Authors: | Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I. | Deposit date: | 2023-04-13 | Release date: | 2023-06-28 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange. Mol.Cell, 83, 2023
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8OR0
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![BU of 8or0 by Molmil](/molmil-images/mine/8or0) | CAND1-CUL1-RBX1-SKP1-SKP2-CKS1-CDK2 | Descriptor: | Cullin-1, Cullin-associated NEDD8-dissociated protein 1, Cyclin-dependent kinase 2, ... | Authors: | Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I. | Deposit date: | 2023-04-12 | Release date: | 2023-06-28 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange. Mol.Cell, 83, 2023
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8OR2
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![BU of 8or2 by Molmil](/molmil-images/mine/8or2) | CAND1-CUL1-RBX1-DCNL1 | Descriptor: | Cullin-1, Cullin-associated NEDD8-dissociated protein 1, DCN1-like protein 1, ... | Authors: | Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I. | Deposit date: | 2023-04-12 | Release date: | 2023-06-28 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange. Mol.Cell, 83, 2023
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5LAB
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![BU of 5lab by Molmil](/molmil-images/mine/5lab) | |
6N0Q
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![BU of 6n0q by Molmil](/molmil-images/mine/6n0q) | BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide. | Descriptor: | N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-11-07 | Release date: | 2019-10-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic. J.Med.Chem., 63, 2020
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2EVE
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![BU of 2eve by Molmil](/molmil-images/mine/2eve) | X-Ray Crystal Structure of Protein PSPTO5229 from Pseudomonas syringae. Northeast Structural Genomics Consortium Target PsR62 | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, ... | Authors: | Forouhar, F, Zhou, W, Belachew, A, Jayaraman, S, Ciao, M, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-10-31 | Release date: | 2005-11-08 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural genomics reveals EVE as a new ASCH/PUA-related domain. Proteins, 75, 2009
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2GMN
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![BU of 2gmn by Molmil](/molmil-images/mine/2gmn) | Crystal structure of BJP-1, a subclass B3 metallo-beta-lactamase of Bradyrhizobium japonicum | Descriptor: | Metallo-beta-lactamase, ZINC ION | Authors: | Calderone, V, Benvenuti, M, Stoczko, M, Docquier, J.D, Rossolini, G.M, Mangani, S. | Deposit date: | 2006-04-07 | Release date: | 2007-04-24 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Postgenomic scan of metallo-beta-lactamase homologues in rhizobacteria: identification and characterization of BJP-1, a subclass B3 ortholog from Bradyrhizobium japonicum. Antimicrob.Agents Chemother., 50, 2006
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4C57
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![BU of 4c57 by Molmil](/molmil-images/mine/4c57) | Structure of GAK kinase in complex with a nanobody | Descriptor: | (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, 1,2-ETHANEDIOL, Cyclin-G-associated kinase, ... | Authors: | Chaikuad, A, Keates, T, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S. | Deposit date: | 2013-09-10 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure of Cyclin G-Associated Kinase (Gak) Trapped in Different Conformations Using Nanobodies. Biochem.J., 459, 2014
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4C58
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![BU of 4c58 by Molmil](/molmil-images/mine/4c58) | Structure of GAK kinase in complex with nanobody (NbGAK_4) | Descriptor: | 1,2-ETHANEDIOL, 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Cyclin-G-associated kinase, ... | Authors: | Chaikuad, A, Keates, T, Allerston, C.K, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S. | Deposit date: | 2013-09-10 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies. Biochem. J., 459, 2014
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