6Y5I
| Dilated form 1 of X-31 Influenza Haemagglutinin at pH 5 (State II) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, X-31 Influenza Haemagglutinin HA1, ... | Authors: | Benton, D.J, Rosenthal, P.B. | Deposit date: | 2020-02-25 | Release date: | 2020-06-10 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (5.5 Å) | Cite: | Structural transitions in influenza haemagglutinin at membrane fusion pH. Nature, 583, 2020
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6Y5R
| Structure of Human Potassium Chloride Transporter KCC3 S45D/T940D/T997D in NaCl | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, B, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-25 | Release date: | 2020-03-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.76 Å) | Cite: | Structure of Human Potassium Chloride Transporter KCC3 in NaCl To be published
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7OM6
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7QKD
| Crystal structure of human Cathepsin L in complex with covalently bound MG132 | Descriptor: | ACETATE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 2024
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7QUX
| Crystal structure of P7C8 bound to CK2alpha | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CARBAMIC ACID, Casein kinase II subunit alpha, ... | Authors: | Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2022-01-19 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Development of small cyclic peptides targeting the CK2 alpha / beta interface. Chem.Commun.(Camb.), 58, 2022
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6Y4C
| Structure of galectin-3C in complex with lactose determined by serial crystallography using an XtalTool support | Descriptor: | CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Shilova, A, Hakansson, M, Welin, M, Kovacic, R, Mueller, U, Logan, D.T. | Deposit date: | 2020-02-20 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Current status and future opportunities for serial crystallography at MAX IV Laboratory. J.Synchrotron Radiat., 27, 2020
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8FX3
| Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Immucillin-GP, showing the structure of the complete active site in its open conformation | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER | Authors: | Hughes, R, Meneely, K.M, Glockzin, K, Suthagar, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A. | Deposit date: | 2023-01-23 | Release date: | 2023-07-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors. Biochemistry, 62, 2023
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8OW1
| Cryo-EM structure of the yeast Inner kinetochore bound to a CENP-A nucleosome. | Descriptor: | C0N3, Centromere DNA-binding protein complex CBF3 subunit B, Centromere DNA-binding protein complex CBF3 subunit C, ... | Authors: | Dendooven, T.D, Zhang, Z, Yang, J, McLaughlin, S, Schwabb, J, Scheres, S, Yatskevich, S, Barford, D. | Deposit date: | 2023-04-26 | Release date: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structure of the complete inner kinetochore of the budding yeast point centromere. Sci Adv, 9, 2023
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6N8D
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8FX1
| Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to (R)-SerMe-ImmH Phosphonate | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, [(3R)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid | Authors: | Hughes, R, Meneely, K.M, Glockzin, K, Clinch, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A. | Deposit date: | 2023-01-23 | Release date: | 2023-07-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors. Biochemistry, 62, 2023
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6ZLC
| Non-specific dsRNA recognition by wildtype H7N1 RNA-binding domain | Descriptor: | NITRATE ION, Non-structural protein 1, RNA (5'-R(*AP*GP*AP*CP*AP*GP*CP*AP*UP*UP*AP*UP*GP*CP*UP*GP*UP*CP*U)-3'), ... | Authors: | Coste, F, Wacquiez, A, Marc, D, Castaing, B. | Deposit date: | 2020-06-30 | Release date: | 2020-10-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and Sequence Determinants Governing the Interactions of RNAs with Influenza A Virus Non-Structural Protein NS1. Viruses, 12, 2020
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6N47
| The structure of SB-2-204-tubulin complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | Authors: | Arnst, K, Banerjee, S, Wang, Y, Li, W, Miller, D, Li, W. | Deposit date: | 2018-11-17 | Release date: | 2019-11-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray Crystal Structure Guided Discovery and Antitumor Efficacy of Dihydroquinoxalinone as Potent Tubulin Polymerization Inhibitors. Acs Chem.Biol., 14, 2019
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6NLE
| X-ray structure of LeuT with V269 deletion | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Navratna, V, Yang, D, Gouaux, E. | Deposit date: | 2019-01-08 | Release date: | 2020-01-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.615 Å) | Cite: | Structural, functional, and behavioral insights of dopamine dysfunction revealed by a deletion inSLC6A3. Proc.Natl.Acad.Sci.USA, 116, 2019
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8FZ3
| Sterile Alpha Motif of Human Translocation ETS Leukemia, Non-Polymer Crystal Form | Descriptor: | CHLORIDE ION, PHOSPHATE ION, Transcription factor ETV6, ... | Authors: | Averett, J.C, Nawarathnage, S.D, Moody, J.D. | Deposit date: | 2023-01-27 | Release date: | 2023-03-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.784 Å) | Cite: | Sterile Alpha Motif of Human Translocation ETS Leukemia, Non-Polymer Crystal Form, With Disordered Human ACK1 UBA Domain Fused to C-terminus To Be Published
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7TV9
| HUMAN COMPLEMENT COMPONENT C3B IN COMPLEX WITH APL-1030 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, APL-1030 Nanofitin, Complement C3 beta chain, ... | Authors: | Fontano, E, Nadupalli, A, Lakshminarasimhan, D, White, A, Garlish, J, Cinier, M, Chevrel, A, Perrocheau, A, Eyerman, D, Orme, M, Kitten, O, Scheibler, L. | Deposit date: | 2022-02-04 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Discovery of APL-1030, a Novel, High-Affinity Nanofitin Inhibitor of C3-Mediated Complement Activation. Biomolecules, 12, 2022
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6ZAW
| Damage-free NO-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) determined by serial femtosecond rotation crystallography | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Rose, S.L, Antonyuk, S.V, Sasaki, D, Yamashita, K, Hirata, K, Ueno, G, Ago, H, Eady, R.R, Tosha, T, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2020-06-05 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures. Sci Adv, 7, 2021
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6ZHE
| Cryo-EM structure of DNA-PK dimer | Descriptor: | DNA (25-MER), DNA (26-MER), DNA (27-MER), ... | Authors: | Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2020-06-23 | Release date: | 2020-10-21 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (7.24 Å) | Cite: | Dimers of DNA-PK create a stage for DNA double-strand break repair. Nat.Struct.Mol.Biol., 28, 2021
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6NY6
| Structure of dimeric Escherichia coli toxin YoeB bound to the Thermus thermophilus 30S ribosome | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Pavelich, I.J, Hoffer, E.D, Maehigashi, T, Dunham, C.M. | Deposit date: | 2019-02-11 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.74 Å) | Cite: | Monomeric YoeB toxin retains RNase activity but adopts an obligate dimeric form for thermal stability. Nucleic Acids Res., 47, 2019
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7QOG
| Portal protein assembly of the phicrAss001 virion with C12 symmetry imposed | Descriptor: | Cargo protein 1 gp45, Portal protein gp20, Ring protein 1 gp43, ... | Authors: | Bayfield, O.W, Shkoporov, A.N, Yutin, N, Khokhlova, E.V, Smith, J.L.R, Hawkins, D.E.D.P, Koonin, E.V, Hill, C, Antson, A.A. | Deposit date: | 2021-12-24 | Release date: | 2023-03-29 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Structural atlas of a human gut crassvirus. Nature, 617, 2023
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7QOJ
| Tail barrel assembly of the phicrAss001 virion with C12 symmetry imposed | Descriptor: | Cargo protein 1 gp45, MAGNESIUM ION, Portal protein gp20, ... | Authors: | Bayfield, O.W, Shkoporov, A.N, Yutin, N, Khokhlova, E.V, Smith, J.L.R, Hawkins, D.E.D.P, Koonin, E.V, Hill, C, Antson, A.A. | Deposit date: | 2021-12-24 | Release date: | 2023-03-29 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Structural atlas of a human gut crassvirus. Nature, 617, 2023
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7AEI
| Studies Towards a Reversible EGFR C797S Triple Mutant Inhibitor Series | Descriptor: | 5-chloranyl-~{N}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine, Epidermal growth factor receptor | Authors: | Hargreaves, D. | Deposit date: | 2020-09-17 | Release date: | 2021-06-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Abstract 4451: Evaluation of the therapeutic potential of phosphine oxide pyrazole inhibitors in tumors harboring EGFR C797S mutation Cancer Res., 79, 2019
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8UTE
| Structure of SARS-Cov2 3CLPro in complex with Compound 27 | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-31 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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6NMP
| SFX structure of oxidized cytochrome c oxidase at room temperature | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Rousseau, D.L, Yeh, S.-R, Ishigami, I. | Deposit date: | 2019-01-11 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6X6P
| Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis | 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: | Herrera, N.G, Morano, N.C, Celikgil, A, Georgiev, G.I, Malonis, R, Lee, J.H, Tong, K, Vergnolle, O, Massimi, A, Yen, L.Y, Noble, A.J, Kopylov, M, Bonanno, J.B, Garrett-Thompson, S.C, Hayes, D.B, Brenowitz, M, Garforth, S.J, Eng, E.T, Lai, J.R, Almo, S.C. | Deposit date: | 2020-05-28 | Release date: | 2020-06-10 | Last modified: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Characterization of the SARS-CoV-2 S Protein: Biophysical, Biochemical, Structural, and Antigenic Analysis. Biorxiv, 2020
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6WB4
| Microbiome-derived Acarbose Kinase Mak1 Labeled with selenomethionine | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Acarbose Kinase Mak1, ... | Authors: | Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S. | Deposit date: | 2020-03-26 | Release date: | 2021-04-21 | Last modified: | 2021-12-15 | Method: | X-RAY DIFFRACTION (2.593 Å) | Cite: | The human microbiome encodes resistance to the antidiabetic drug acarbose. Nature, 600, 2021
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