4USE
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![BU of 4use by Molmil](/molmil-images/mine/4use) | Human STK10 (LOK) with SB-633825 | Descriptor: | 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10 | Authors: | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S. | Deposit date: | 2014-07-07 | Release date: | 2015-07-22 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Comprehensive Characterization of the Published Kinase Inhibitor Set. Nat.Biotechnol., 34, 2016
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4UIO
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![BU of 4uio by Molmil](/molmil-images/mine/4uio) | Structure of the Salmonella typhi Type I Dehydroquinase covalently inhibited by a 3-dehydroquinic acid derivative | Descriptor: | (1~{R},3~{R},4~{S},5~{R})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ... | Authors: | Otero, J.M, Llamas-Saiz, A.L, Tizon, L, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2015-03-30 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Chemical Modification of a Dehydratase Enzyme Involved in Bacterial Virulence by an Ammonium Derivative: Evidence of its Active Site Covalent Adduct. J.Am.Chem.Soc., 137, 2015
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4UAP
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![BU of 4uap by Molmil](/molmil-images/mine/4uap) | X-ray structure of GH31 CBM32-2 bound to GalNAc | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, GLYCEROL, ... | Authors: | Grondin, J.M, Abe, K, Boraston, A.B, Smith, S.P. | Deposit date: | 2014-08-11 | Release date: | 2015-10-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens. PLoS ONE, 12, 2017
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4TWS
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![BU of 4tws by Molmil](/molmil-images/mine/4tws) | Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.45 A Resolution | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | Authors: | Holton, J.M, Classen, S, Frankel, K.A, Tainer, J.A. | Deposit date: | 2014-07-01 | Release date: | 2014-08-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The R-factor gap in macromolecular crystallography: an untapped potential for insights on accurate structures. Febs J., 281, 2014
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4V52
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![BU of 4v52 by Molmil](/molmil-images/mine/4v52) | Crystal structure of the bacterial ribosome from Escherichia coli in complex with neomycin. | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Borovinskaya, M.A, Pai, R.D, Zhang, W, Schuwirth, B.-S, Holton, J.M, Hirokawa, G, Kaji, H, Kaji, A, Cate, J.H.D. | Deposit date: | 2007-06-15 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Structural basis for aminoglycoside inhibition of bacterial ribosome recycling. Nat.Struct.Mol.Biol., 14, 2007
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4WA2
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![BU of 4wa2 by Molmil](/molmil-images/mine/4wa2) | The crystal structure of hemagglutinin from a H3N8 influenza virus isolated from New England harbor seals in complex with 3'SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J. | Deposit date: | 2014-08-28 | Release date: | 2015-01-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals. J.Virol., 89, 2015
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4V57
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![BU of 4v57 by Molmil](/molmil-images/mine/4v57) | Crystal structure of the bacterial ribosome from Escherichia coli in complex with spectinomycin and neomycin. | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Borovinskaya, M.A, Shoji, S, Holton, J.M, Fredrick, K, Cate, J.H.D. | Deposit date: | 2007-07-21 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | A steric block in translation caused by the antibiotic spectinomycin. Acs Chem.Biol., 2, 2007
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7TQV
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![BU of 7tqv by Molmil](/molmil-images/mine/7tqv) | SARS-CoV-2 endoribonuclease Nsp15 bound to dsRNA | Descriptor: | RNA (33-MER), Uridylate-specific endoribonuclease | Authors: | Frazier, M.N, Krahn, J.M, Butay, K.J, Dillard, L.B, Borgnia, M.J, Stanley, R.E. | Deposit date: | 2022-01-27 | Release date: | 2022-03-23 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | Flipped over U: structural basis for dsRNA cleavage by the SARS-CoV-2 endoribonuclease. Nucleic Acids Res., 50, 2022
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7TJ2
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![BU of 7tj2 by Molmil](/molmil-images/mine/7tj2) | SARS-CoV-2 endoribonuclease Nsp15 bound to dsRNA | Descriptor: | RNA (31-MER), Uridylate-specific endoribonuclease nsp15 | Authors: | Frazier, M.N, Krahn, J.M, Butay, K.J, Dillard, L.B, Borgnia, M.J, Stanley, R.E. | Deposit date: | 2022-01-14 | Release date: | 2022-03-23 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Flipped over U: structural basis for dsRNA cleavage by the SARS-CoV-2 endoribonuclease. Nucleic Acids Res., 50, 2022
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7MJ9
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![BU of 7mj9 by Molmil](/molmil-images/mine/7mj9) | HLA-A*02:01 bound to Neuroblastoma Derived mutant IGFBPL1 peptide | Descriptor: | Beta-2-microglobulin, Insulin-like growth factor-binding protein-like 1 altered peptide, MHC class I antigen | Authors: | Toor, J.S, Tripathi, S.M, Truong, H.V, Yarmarkovich, M, Maris, J.M, Sgourakis, N.G. | Deposit date: | 2021-04-19 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs. Nature, 599, 2021
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7MJ6
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![BU of 7mj6 by Molmil](/molmil-images/mine/7mj6) | HLA-A*02:01 bound to Neuroblastoma Derived IGFBPL1 peptide | Descriptor: | Beta-2-microglobulin, GLYCEROL, Insulin-like growth factor-binding protein-like 1 peptide, ... | Authors: | Toor, J.S, Tripathi, S.M, Truong, H.V, Yarmarkovich, M, Maris, J.M, Sgourakis, N.G. | Deposit date: | 2021-04-19 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs. Nature, 599, 2021
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7MJ7
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![BU of 7mj7 by Molmil](/molmil-images/mine/7mj7) | HLA-A*02:01 bound to Neuroblastoma Derived IGFBPL1 peptide | Descriptor: | Beta-2-microglobulin, GLYCEROL, Insulin-like growth factor-binding protein-like 1 peptide, ... | Authors: | Toor, J.S, Tripathi, S.M, Truong, H.V, Yarmarkovich, M, Maris, J.M, Sgourakis, N.G. | Deposit date: | 2021-04-19 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs. Nature, 599, 2021
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7MJA
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![BU of 7mja by Molmil](/molmil-images/mine/7mja) | HLA-A*24:02 bound to Neuroblastoma derived PHOX2B peptide | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | Authors: | Toor, J.S, Tripathi, S.M, Truong, H.V, Yarmarkovich, M, Maris, J.M, Sgourakis, N.G. | Deposit date: | 2021-04-19 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs. Nature, 599, 2021
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7MJ8
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![BU of 7mj8 by Molmil](/molmil-images/mine/7mj8) | HLA-A*02:01 bound to Neuroblastoma Derived IGFBPL1 peptide | Descriptor: | Beta-2-microglobulin, GLYCEROL, Insulin-like growth factor-binding protein-like 1 peptide, ... | Authors: | Toor, J.S, Tripathi, S.M, Truong, H.V, Yarmarkovich, M, Maris, J.M, Sgourakis, N.G. | Deposit date: | 2021-04-19 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs. Nature, 599, 2021
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7M5U
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![BU of 7m5u by Molmil](/molmil-images/mine/7m5u) | Crystal structure of human MPP8 chromodomain in complex with peptidomimetic ligand UNC5246 | Descriptor: | M-phase phosphoprotein 8, UNC5246 | Authors: | Budziszewski, G.R, McGinty, R.K, Waybright, J.M, Norris, J.L, James, L.I. | Deposit date: | 2021-03-24 | Release date: | 2021-09-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | A Peptidomimetic Ligand Targeting the Chromodomain of MPP8 Reveals HRP2's Association with the HUSH Complex. Acs Chem.Biol., 16, 2021
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1VBA
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![BU of 1vba by Molmil](/molmil-images/mine/1vba) | POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R78206 | Descriptor: | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 3 | Authors: | Grant, R.A, Hiremath, C.N, Filman, D.J, Syed, R, Andries, K, Hogle, J.M. | Deposit date: | 1996-01-02 | Release date: | 1996-07-11 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design. Curr.Biol., 4, 1994
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6R95
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![BU of 6r95 by Molmil](/molmil-images/mine/6r95) | |
6R96
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![BU of 6r96 by Molmil](/molmil-images/mine/6r96) | |
7MIF
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![BU of 7mif by Molmil](/molmil-images/mine/7mif) | Human CTPS1 bound to inhibitor R80 | Descriptor: | CTP synthase 1, GLUTAMINE, MAGNESIUM ION, ... | Authors: | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | Deposit date: | 2021-04-16 | Release date: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MIV
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![BU of 7miv by Molmil](/molmil-images/mine/7miv) | Mouse CTPS2-I250T bound to inhibitor R80 | Descriptor: | CTP synthase 2, GLUTAMINE, MAGNESIUM ION, ... | Authors: | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | Deposit date: | 2021-04-17 | Release date: | 2021-10-13 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MIP
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![BU of 7mip by Molmil](/molmil-images/mine/7mip) | Mouse CTPS1 bound to inhibitor R80 | Descriptor: | CTP synthase 1, GLUTAMINE, MAGNESIUM ION, ... | Authors: | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | Deposit date: | 2021-04-17 | Release date: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MII
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![BU of 7mii by Molmil](/molmil-images/mine/7mii) | Human CTPS2 bound to inhibitor T35 | Descriptor: | 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide, CTP synthase 2, GLUTAMINE, ... | Authors: | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | Deposit date: | 2021-04-16 | Release date: | 2021-10-13 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MH1
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![BU of 7mh1 by Molmil](/molmil-images/mine/7mh1) | Human CTPS2 bound to CTP | Descriptor: | CTP synthase 2, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Lynch, E.M, Kollman, J.M. | Deposit date: | 2021-04-14 | Release date: | 2021-10-13 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MGZ
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![BU of 7mgz by Molmil](/molmil-images/mine/7mgz) | Human CTPS1 bound to UTP, AMPPNP, and glutamine | Descriptor: | CTP synthase 1, GLUTAMINE, MAGNESIUM ION, ... | Authors: | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | Deposit date: | 2021-04-14 | Release date: | 2021-10-13 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MH0
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![BU of 7mh0 by Molmil](/molmil-images/mine/7mh0) | Human CTPS1 bound to CTP | Descriptor: | CTP synthase 1, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Lynch, E.M, Kollman, J.M. | Deposit date: | 2021-04-14 | Release date: | 2021-10-13 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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