7KIB
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![BU of 7kib by Molmil](/molmil-images/mine/7kib) | PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 4 | Descriptor: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Palte, R.L, Hayes, R.P. | Deposit date: | 2020-10-23 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer. J.Med.Chem., 64, 2021
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5HH6
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5Q0E
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![BU of 5q0e by Molmil](/molmil-images/mine/5q0e) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2017-05-01 | Release date: | 2017-07-12 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency. Bioorg. Med. Chem. Lett., 27, 2017
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6H3P
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5E2O
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5VB9
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![BU of 5vb9 by Molmil](/molmil-images/mine/5vb9) | IL-17A in complex with peptide | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-17A, ... | Authors: | Antonysamy, S, Russell, M, Zhang, A, Groshong, C, Manglicmot, D, Lu, F, Benach, J, Wasserman, S.R, Zhang, F, Afshar, S, Bina, H, Broughton, H, Chalmers, M, Dodge, J, Espada, A, Jones, S, Ting, J.P, Woodman, M. | Deposit date: | 2017-03-28 | Release date: | 2018-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Utilization of peptide phage display to investigate hotspots on IL-17A and what it means for drug discovery. PLoS ONE, 13, 2018
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4EQC
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![BU of 4eqc by Molmil](/molmil-images/mine/4eqc) | Crystal structure of PAK1 kinase domain in complex with FRAX597 inhibitor | Descriptor: | 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, CHLORIDE ION, Serine/threonine-protein kinase PAK 1 | Authors: | Maksimoska, J, Marmorstein, R. | Deposit date: | 2012-04-18 | Release date: | 2013-08-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | FRAX597, a Small Molecule Inhibitor of the p21-activated Kinases, Inhibits Tumorigenesis of Neurofibromatosis Type 2 (NF2)-associated Schwannomas. J.Biol.Chem., 288, 2013
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5Q0G
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![BU of 5q0g by Molmil](/molmil-images/mine/5q0g) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2017-05-01 | Release date: | 2017-07-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency. Bioorg. Med. Chem. Lett., 27, 2017
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8QRT
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8QS0
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7JYU
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![BU of 7jyu by Molmil](/molmil-images/mine/7jyu) | Crystal Structure of HLA-A*2402 in complex with IYFSPIRVTF, an 10-mer epitope from Influenza B virus | Descriptor: | Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ... | Authors: | Nguyen, A.T, Szeto, C, Rossjohn, J, Gras, S. | Deposit date: | 2020-09-01 | Release date: | 2021-04-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph. Nat Commun, 12, 2021
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7JYV
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![BU of 7jyv by Molmil](/molmil-images/mine/7jyv) | Crystal Structure of HLA A*2402 in complex with YFSPIRVTF, an 9-mer influenza epitope | Descriptor: | Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ... | Authors: | Gras, S, Nguyen, A.T, Szeto, C, Rossjohn, J. | Deposit date: | 2020-09-01 | Release date: | 2021-04-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph. Nat Commun, 12, 2021
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7JYW
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![BU of 7jyw by Molmil](/molmil-images/mine/7jyw) | Crystal Structure of HLA A*2402 in complex with TYQWIIRNW, an 9-mer influenza epitope | Descriptor: | Beta-2-microglobulin, CALCIUM ION, MHC class I antigen, ... | Authors: | Gras, S, Nguyen, A.T, Szeto, C, Rossjohn, J. | Deposit date: | 2020-09-01 | Release date: | 2021-04-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph. Nat Commun, 12, 2021
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7JYX
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![BU of 7jyx by Molmil](/molmil-images/mine/7jyx) | Crystal Structure of HLA A*2402 in complex with TYQWIIRNWET, an 11-mer epitope from Influenza | Descriptor: | Beta-2-microglobulin, MHC class I antigen, PB2 peptide from Influenza, ... | Authors: | Gras, S, Nguyen, A.T, Szeto, C, Rossjohn, J. | Deposit date: | 2020-09-01 | Release date: | 2021-04-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph. Nat Commun, 12, 2021
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6ANV
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![BU of 6anv by Molmil](/molmil-images/mine/6anv) | Crystal structure of anti-CRISPR protein AcrF1 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yang, H, Patel, D.J. | Deposit date: | 2017-08-14 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.265 Å) | Cite: | Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex. Cell, 171, 2017
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6B8U
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![BU of 6b8u by Molmil](/molmil-images/mine/6b8u) | Crystals Structure of B-Raf kinase domain in complex with an Imidazopyridinyl benzamide inhibitor | Descriptor: | Serine/threonine-protein kinase B-raf, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide | Authors: | Appleton, B.A, Murray, J, Shafer, C.M. | Deposit date: | 2017-10-09 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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4C5G
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6B1Z
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6CNZ
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6CNR
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![BU of 6cnr by Molmil](/molmil-images/mine/6cnr) | aducanumab apo Fab | Descriptor: | Aducanumab heavy chain, Aducanumab light chain, SULFATE ION | Authors: | Arndt, J.W. | Deposit date: | 2018-03-08 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural and kinetic basis for the selectivity of aducanumab for aggregated forms of amyloid-beta. Sci Rep, 8, 2018
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3ZOJ
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![BU of 3zoj by Molmil](/molmil-images/mine/3zoj) | High-resolution structure of Pichia Pastoris aquaporin Aqy1 at 0.88 A | Descriptor: | AQUAPORIN, CHLORIDE ION, octyl beta-D-glucopyranoside | Authors: | Kosinska-Eriksson, U, Fischer, G, Friemann, R, Enkavi, G, Tajkhorshid, E, Neutze, R. | Deposit date: | 2013-02-21 | Release date: | 2013-06-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.88 Å) | Cite: | Subangstrom Resolution X-Ray Structure Details Aquaporin-Water Interactions Science, 340, 2013
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8DT8
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![BU of 8dt8 by Molmil](/molmil-images/mine/8dt8) | LM18/Nb136 bispecific tetra-nanobody immunoglobulin in complex with SARS-CoV-2-6P-Mut7 S protein (focused refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LM18 nanobody, Nb136 nanobody, ... | Authors: | Ozorowski, G, Turner, H.L, Ward, A.B. | Deposit date: | 2022-07-25 | Release date: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins. Proc.Natl.Acad.Sci.USA, 120, 2023
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4C5E
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8F5V
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8PBX
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![BU of 8pbx by Molmil](/molmil-images/mine/8pbx) | |