7WV5
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![BU of 7wv5 by Molmil](/molmil-images/mine/7wv5) | ectoTLR3-poly(I:C) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, RNA (46-MER), ... | Authors: | Lim, C.S, Jang, Y.H, Lee, G.Y, Han, G.M, Lee, J.O. | Deposit date: | 2022-02-09 | Release date: | 2022-11-16 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | TLR3 forms a highly organized cluster when bound to a poly(I:C) RNA ligand. Nat Commun, 13, 2022
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7WV4
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![BU of 7wv4 by Molmil](/molmil-images/mine/7wv4) | ectoTLR3-poly(I:C) cluster | Descriptor: | RNA (80-MER), Toll-like receptor 3 | Authors: | Lim, C.S, Jang, Y.H, Lee, G.Y, Han, G.M, Lee, J.O. | Deposit date: | 2022-02-09 | Release date: | 2022-11-16 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | TLR3 forms a highly organized cluster when bound to a poly(I:C) RNA ligand. Nat Commun, 13, 2022
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7WVE
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![BU of 7wve by Molmil](/molmil-images/mine/7wve) | CT-mut (D523K,D524K,E527K) TLR3-poly(I:C) complex | Descriptor: | RNA (46-MER), Toll-like receptor 3 | Authors: | Lim, C.S, Jang, Y.H, Lee, G.Y, Han, G.M, Lee, J.O. | Deposit date: | 2022-02-10 | Release date: | 2022-11-16 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | TLR3 forms a highly organized cluster when bound to a poly(I:C) RNA ligand. Nat Commun, 13, 2022
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7WV3
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![BU of 7wv3 by Molmil](/molmil-images/mine/7wv3) | Toll-like receptor3 linear cluster | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, RNA (80-MER), ... | Authors: | Lim, C.S, Jang, Y.H, Lee, G.Y, Han, G.M, Lee, J.O. | Deposit date: | 2022-02-09 | Release date: | 2022-11-16 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (2.26 Å) | Cite: | TLR3 forms a highly organized cluster when bound to a poly(I:C) RNA ligand. Nat Commun, 13, 2022
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7R9W
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![BU of 7r9w by Molmil](/molmil-images/mine/7r9w) | LC3A in complex with Fragment 1-1 | Descriptor: | 4-phenoxybenzoic acid, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3A | Authors: | Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M. | Deposit date: | 2021-06-29 | Release date: | 2022-01-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands. Biochemistry, 62, 2023
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7R9Z
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![BU of 7r9z by Molmil](/molmil-images/mine/7r9z) | LC3A in complex with Fragment 2-3 | Descriptor: | (5-fluoro-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A | Authors: | Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M. | Deposit date: | 2021-06-29 | Release date: | 2022-01-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands. Biochemistry, 62, 2023
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7RA0
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![BU of 7ra0 by Molmil](/molmil-images/mine/7ra0) | LC3A in complex with Fragment 2-10 | Descriptor: | (5-ethyl-2-methyl-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A | Authors: | Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M. | Deposit date: | 2021-06-29 | Release date: | 2022-01-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands. Biochemistry, 62, 2023
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8Q2B
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![BU of 8q2b by Molmil](/molmil-images/mine/8q2b) | E. coli Adenylate Kinase variant D158A (AK D158A) showing significant changes to the stacking of catalytic arginine side chains | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ... | Authors: | Sauer, U.H, Wolf-Watz, M, Nam, K. | Deposit date: | 2023-08-01 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Elucidating Dynamics of Adenylate Kinase from Enzyme Opening to Ligand Release. J.Chem.Inf.Model., 64, 2024
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5MGG
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![BU of 5mgg by Molmil](/molmil-images/mine/5mgg) | |
5MGE
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![BU of 5mge by Molmil](/molmil-images/mine/5mge) | |
5MGM
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5MGF
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5MVX
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![BU of 5mvx by Molmil](/molmil-images/mine/5mvx) | Human DLL4 C2-EGF3 | Descriptor: | Delta-like protein 4, alpha-L-fucopyranose | Authors: | Suckling, R.J, Handford, P.A, Lea, S.M. | Deposit date: | 2017-01-17 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands. EMBO J., 36, 2017
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5MW7
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![BU of 5mw7 by Molmil](/molmil-images/mine/5mw7) | Human Jagged2 C2-EGF3 | Descriptor: | Protein jagged-2, alpha-L-fucopyranose | Authors: | Suckling, R.J, Handford, P.A, Lea, S.M. | Deposit date: | 2017-01-18 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands. EMBO J., 36, 2017
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5MWB
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![BU of 5mwb by Molmil](/molmil-images/mine/5mwb) | Human Notch-2 EGF11-13 | Descriptor: | CALCIUM ION, Neurogenic locus notch homolog protein 2, alpha-L-fucopyranose, ... | Authors: | Suckling, R.J, Handford, P.A, Lea, S.M. | Deposit date: | 2017-01-18 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands. EMBO J., 36, 2017
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3FJG
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![BU of 3fjg by Molmil](/molmil-images/mine/3fjg) | Crystal structure of 3PG bound PEB3 | Descriptor: | 3-PHOSPHOGLYCERIC ACID, Major antigenic peptide PEB3 | Authors: | Min, T, Matte, A, Cygler, M. | Deposit date: | 2008-12-14 | Release date: | 2009-03-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Specificity of Campylobacter jejuni adhesin PEB3 for phosphates and structural differences among its ligand complexes. Biochemistry, 48, 2009
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5MWF
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![BU of 5mwf by Molmil](/molmil-images/mine/5mwf) | Human Jagged2 C2-EGF2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Suckling, R.J, Handford, P.A, Lea, S.M. | Deposit date: | 2017-01-18 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands. EMBO J., 36, 2017
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5MW5
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![BU of 5mw5 by Molmil](/molmil-images/mine/5mw5) | Human Jagged2 C2-EGF2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein jagged-2 | Authors: | Suckling, R.J, Handford, P.A, Lea, S.M. | Deposit date: | 2017-01-18 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands. EMBO J., 36, 2017
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6GMR
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![BU of 6gmr by Molmil](/molmil-images/mine/6gmr) | pVHL:EloB:EloC in complex with (4-(1H-pyrrol-1-yl)phenyl)methanol | Descriptor: | (4-pyrrol-1-ylphenyl)methanol, Elongin-B, Elongin-C, ... | Authors: | Van Molle, I, Lucas, X, Ciulli, A. | Deposit date: | 2018-05-28 | Release date: | 2018-08-08 | Last modified: | 2018-09-05 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Surface Probing by Fragment-Based Screening and Computational Methods Identifies Ligandable Pockets on the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase. J. Med. Chem., 61, 2018
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6B7E
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![BU of 6b7e by Molmil](/molmil-images/mine/6b7e) | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-4-(5-(difluoromethyl)-1H-imidazol-1-yl)-3,3-dimethylisochroman-1-one | Descriptor: | (4R)-4-[5-(difluoromethyl)-1H-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | Authors: | Proudfoot, A.W, Bussiere, D, Lingel, A. | Deposit date: | 2017-10-03 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139, 2017
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6ML9
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![BU of 6ml9 by Molmil](/molmil-images/mine/6ml9) | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) D30A mutant from Salmonella typhimurium complexed with arginine | Descriptor: | ACETATE ION, ARGININE, GLYCEROL, ... | Authors: | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | Deposit date: | 2018-09-27 | Release date: | 2019-08-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.687 Å) | Cite: | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein. Febs J., 287, 2020
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7PHZ
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![BU of 7phz by Molmil](/molmil-images/mine/7phz) | Crystal structure of X77 bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in spacegroup P2(1)2(1)2(1). | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2021-08-19 | Release date: | 2022-09-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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6IEN
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![BU of 6ien by Molmil](/molmil-images/mine/6ien) | Substrate/product bound Argininosuccinate lyase from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, ARGININE, ARGININOSUCCINATE, ... | Authors: | Paul, A, Mishra, A, Surolia, A, Vijayan, M. | Deposit date: | 2018-09-14 | Release date: | 2019-02-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural studies on M. tuberculosis argininosuccinate lyase and its liganded complex: Insights into catalytic mechanism. IUBMB Life, 71, 2019
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6ISC
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![BU of 6isc by Molmil](/molmil-images/mine/6isc) | complex structure of mCD226-ecto and hCD155-D1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CD226 antigen, Poliovirus receptor | Authors: | Wang, H, Qi, J, Zhang, S, Li, Y, Tan, S, Gao, G.F. | Deposit date: | 2018-11-16 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Binding mode of the side-by-side two-IgV molecule CD226/DNAM-1 to its ligand CD155/Necl-5. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7OG0
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![BU of 7og0 by Molmil](/molmil-images/mine/7og0) | Nontypeable Haemophillus influenzae SapA in open and closed conformations, in complex with double stranded RNA | Descriptor: | ABC-type transport system, periplasmic component, involved in antimicrobial peptide resistance, ... | Authors: | Lukacik, P, Owen, C.D, Nettleship, J.E, Bird, L.E, Owens, R.J, Walsh, M.A. | Deposit date: | 2021-05-05 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif. Plos One, 16, 2021
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