8HGI
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![BU of 8hgi by Molmil](/molmil-images/mine/8hgi) | Crystal structure of VNAR aGFP14 in complex with GFP | Descriptor: | GFP, VNAR aGFP14, [2-(3-CARBAMOYL-1-IMINO-PROPYL)-4-(4-HYDROXY-BENZYLIDENE)-5-OXO-4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID | Authors: | Zheng, P, Zhu, C, Jin, T. | Deposit date: | 2022-11-14 | Release date: | 2023-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Selection, identification and crystal structure of shark-derived single-domain antibodies against a green fluorescent protein. Int.J.Biol.Macromol., 247, 2023
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6X4H
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![BU of 6x4h by Molmil](/molmil-images/mine/6x4h) | Sortilin-Progranulin Interaction With Compound 24 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine, GLYCEROL, ... | Authors: | Parthasarathy, G, Soisson, S.M, Klein, D. | Deposit date: | 2020-05-22 | Release date: | 2020-08-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Identification of potent inhibitors of the sortilin-progranulin interaction. Bioorg.Med.Chem.Lett., 30, 2020
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7U2U
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![BU of 7u2u by Molmil](/molmil-images/mine/7u2u) | CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH Compound-2a AKA (2S)-2-(TERT-BUTOXY)-2-[7-(4,4-DIMETHYLPIPE RIDIN-1-YL)-8-{4-[2-(4-FLUOROPHENYL)ETHOXY]PHENYL}-2,5-DIM ETHYLIMIDAZO[1,2-A]PYRIDIN-6-YL]ACETIC ACID | Descriptor: | (2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid, Integrase, SULFATE ION | Authors: | Khan, J.A, lewis, H, Kish, K. | Deposit date: | 2022-02-24 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.839 Å) | Cite: | Scaffold modifications to the 4-(4,4-dimethylpiperidinyl) 2,6-dimethylpyridinyl class of HIV-1 allosteric integrase inhibitors. Bioorg.Med.Chem., 67, 2022
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8CXA
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![BU of 8cxa by Molmil](/molmil-images/mine/8cxa) | |
8T4V
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![BU of 8t4v by Molmil](/molmil-images/mine/8t4v) | Crystal structure of compound 1 bound to K-Ras(G12D) | Descriptor: | 4-{(1R,5S)-3-[(7P)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}-4-oxobutanoic acid, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Zhang, Z, Zheng, Q, Guiley, K.Z, Shokat, K.M. | Deposit date: | 2023-06-10 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Strain-release alkylation of Asp12 enables mutant selective targeting of K-Ras-G12D. Nat.Chem.Biol., 2024
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6WYJ
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![BU of 6wyj by Molmil](/molmil-images/mine/6wyj) | Cryo-EM structure of the GltPh L152C-G321C mutant in the intermediate state | Descriptor: | ASPARTIC ACID, Glutamate transporter homolog | Authors: | Font, J, Chen, I, Sobti, M, Stewart, A.G, Ryan, R.M. | Deposit date: | 2020-05-13 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Glutamate transporters have a chloride channel with two hydrophobic gates. Nature, 591, 2021
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7TTI
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![BU of 7tti by Molmil](/molmil-images/mine/7tti) | Human KCC1 bound with VU0463271 In an outward-open state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(6-phenylpyridazin-3-yl)sulfanyl]acetamide, Solute carrier family 12 member 4 | Authors: | Zhao, Y.X, Cao, E.H. | Deposit date: | 2022-02-01 | Release date: | 2022-06-29 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure of the human cation-chloride cotransport KCC1 in an outward-open state. Proc.Natl.Acad.Sci.USA, 119, 2022
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6WYL
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![BU of 6wyl by Molmil](/molmil-images/mine/6wyl) | Cryo-EM structure of GltPh L152C-G351C mutant in the intermediate outward-facing state. | Descriptor: | ASPARTIC ACID, Glutamate transporter homolog | Authors: | Font, J, Chen, I, Sobti, M, Stewart, A.G, Ryan, R.M. | Deposit date: | 2020-05-13 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Glutamate transporters have a chloride channel with two hydrophobic gates. Nature, 591, 2021
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7TUH
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![BU of 7tuh by Molmil](/molmil-images/mine/7tuh) | Crystal structure of anti-tapasin PaSta2-Fab | Descriptor: | PaSta2 Fab heavy chain, PaSta2 Fab kappa light chain | Authors: | Jiang, J, Natarajan, K, Taylor, D.K, Boyd, L.F, Margulies, D.H. | Deposit date: | 2022-02-02 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation. Nat Commun, 13, 2022
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8QNV
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7TTH
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![BU of 7tth by Molmil](/molmil-images/mine/7tth) | Human potassium-chloride cotransporter 1 in inward-open state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, POTASSIUM ION, Solute carrier family 12 member 4 | Authors: | Zhao, Y.X, Cao, E.H. | Deposit date: | 2022-02-01 | Release date: | 2022-06-29 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structure of the human cation-chloride cotransport KCC1 in an outward-open state. Proc.Natl.Acad.Sci.USA, 119, 2022
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7V0Z
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![BU of 7v0z by Molmil](/molmil-images/mine/7v0z) | Factor XIa in Complex with Compound 2a | Descriptor: | Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | Authors: | Shaffer, P.L, Spurlino, J, Milligan, C.M. | Deposit date: | 2022-05-11 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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8QNT
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![BU of 8qnt by Molmil](/molmil-images/mine/8qnt) | |
7UOV
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![BU of 7uov by Molmil](/molmil-images/mine/7uov) | |
7V16
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![BU of 7v16 by Molmil](/molmil-images/mine/7v16) | Factor XIa in Complex with Compound 2j | Descriptor: | 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(2-methylpyrazol-3-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain | Authors: | Shaffer, P.L, Milligan, C.M. | Deposit date: | 2022-05-11 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.505 Å) | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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7UMG
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![BU of 7umg by Molmil](/molmil-images/mine/7umg) | Crystal structure of human CD8aa-MR1-Ac-6-FP complex | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, Major histocompatibility complex class I-related gene protein, ... | Authors: | Awad, W, Rossjohn, J. | Deposit date: | 2022-04-06 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | CD8 coreceptor engagement of MR1 enhances antigen responsiveness by human MAIT and other MR1-reactive T cells. J.Exp.Med., 219, 2022
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7V11
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![BU of 7v11 by Molmil](/molmil-images/mine/7v11) | Factor XIa in Complex with Compound 2e | Descriptor: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-methyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain | Authors: | Shaffer, P.L, Milligan, C.M. | Deposit date: | 2022-05-11 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.472 Å) | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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6WG5
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![BU of 6wg5 by Molmil](/molmil-images/mine/6wg5) | Human ectonucleoside triphosphate diphosphohydrolase 4 (ENTPD4, NTPDase 4) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ectonucleoside triphosphate diphosphohydrolase 4 | Authors: | Gorelik, A, Labriola, J.M, Illes, K, Nagar, B. | Deposit date: | 2020-04-04 | Release date: | 2020-08-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the nucleotide-metabolizing enzyme NTPDase4. Protein Sci., 29, 2020
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7UOT
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![BU of 7uot by Molmil](/molmil-images/mine/7uot) | Native Lassa glycoprotein in complex with neutralizing antibodies 8.9F and 37.2D | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 37.2D heavy chain (variable domain), ... | Authors: | Li, H, Saphire, E.O. | Deposit date: | 2022-04-13 | Release date: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | A cocktail of protective antibodies subverts the dense glycan shield of Lassa virus. Sci Transl Med, 14, 2022
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7V15
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![BU of 7v15 by Molmil](/molmil-images/mine/7v15) | Factor XIa in Complex with Compound 2i | Descriptor: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-4-methyl-1,3-thiazole, CITRIC ACID, Coagulation factor XIa light chain | Authors: | Shaffer, P.L, Cedervall, P, Milligan, C.M. | Deposit date: | 2022-05-11 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.679 Å) | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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6WOS
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![BU of 6wos by Molmil](/molmil-images/mine/6wos) | |
8QD3
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![BU of 8qd3 by Molmil](/molmil-images/mine/8qd3) | Ayg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene | Descriptor: | 1,2-ETHANEDIOL, FLAVIOLIN, Pigment biosynthesis protein yellowish-green 1, ... | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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7V10
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![BU of 7v10 by Molmil](/molmil-images/mine/7v10) | Factor XIa in Complex with Compound 2d | Descriptor: | CITRIC ACID, Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | Authors: | Shaffer, P.L, Spurlino, J, Milligan, C.M. | Deposit date: | 2022-05-11 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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7UPY
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![BU of 7upy by Molmil](/molmil-images/mine/7upy) | An antibody from single human VH-rearranging mouse neutralizes all SARS-CoV-2 variants through BA.5 by inhibiting membrane fusion | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Luo, S, Kreutzberger, A, Kirchhausen, T, Chen, B, Haynes, B, Alt, F. | Deposit date: | 2022-04-18 | Release date: | 2022-08-10 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | An antibody from single human V H -rearranging mouse neutralizes all SARS-CoV-2 variants through BA.5 by inhibiting membrane fusion. Sci Immunol, 7, 2022
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6WJH
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![BU of 6wjh by Molmil](/molmil-images/mine/6wjh) | |