2WRE
 
 | | structure of H2 japan hemagglutinin with human receptor | | Descriptor: | HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose | | Authors: | Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2009-09-01 | | Release date: | 2009-09-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
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7RMR
 | | Crystal structure of [I11L]cycloviolacin O2 | | Descriptor: | D-[I11L]cycloviolacin O2, THIOCYANATE ION, [I11L]cycloviolacin O2 | | Authors: | Huang, Y.H, Du, Q, Craik, D.J. | | Deposit date: | 2021-07-28 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Enabling Efficient Folding and High-Resolution Crystallographic Analysis of Bracelet Cyclotides.
Molecules, 26, 2021
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7RIJ
 | | [I11G]hyen D | | Descriptor: | ACETATE ION, Cyclotide hyen-D, D-[I11L]hyen D | | Authors: | Du, Q, Huang, Y.H, Wang, C.K, Craik, D.J. | | Deposit date: | 2021-07-20 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides
Molecules, 26(18), 2021
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1W3Y
 | | Crystal structure of S. pneumoniae hyaluronate lyase in complex with palmitoyl-vitamin C | | Descriptor: | (2E,4R,5S)-2,3,4,5-TETRAHYDROXY-6-(PALMITOYLOXY)HEX-2-ENOIC ACID, HYALURONATE LYASE, SULFATE ION, ... | | Authors: | Rigden, D.J, Jedrzejas, M.J. | | Deposit date: | 2004-07-21 | | Release date: | 2004-08-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | L-Ascorbic Acid 6-Hexadecanoate, a Potent Hyaluronidase Inhibitor: X-Ray Structure and Molecular Modeling of Enzyme-Inhibitor Complexes
J.Biol.Chem., 279, 2004
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7RIH
 | | hyen D | | Descriptor: | CITRATE ANION, Cyclotide hyen-D, D-[I11L]hyen D | | Authors: | Du, Q, Huang, Y.H, Craik, D.J, Wang, C.K. | | Deposit date: | 2021-07-20 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides
Molecules, 26(18), 2021
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5DT4
 | | Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 | | Descriptor: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | | Deposit date: | 2015-09-17 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
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7RMS
 | | Crystal structure of [I11G]cycloviolacin O2 | | Descriptor: | D-[I11L]cycloviolacin O2, THIOCYANATE ION, [I11L]cycloviolacin O2 | | Authors: | Huang, Y.H, Du, Q, Craik, D.J. | | Deposit date: | 2021-07-28 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Enabling Efficient Folding and High-Resolution Crystallographic Analysis of Bracelet Cyclotides.
Molecules, 26, 2021
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7RII
 | | [I11L]hyen D crystal structure | | Descriptor: | Cyclotide hyen-D, PHOSPHATE ION | | Authors: | Du, Q, Huang, Y.H, Craik, D.J, Wang, C.K. | | Deposit date: | 2021-07-20 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides
Molecules, 26(18), 2021
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1NOU
 | | Native human lysosomal beta-hexosaminidase isoform B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | | Authors: | Mark, B.L, Mahuran, D.J, Cherney, M.M, Zhao, D, Knapp, S, James, M.N.G. | | Deposit date: | 2003-01-16 | | Release date: | 2003-04-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of Human beta-hexosaminidase B: Understanding the molecular basis of Sandhoff and Tay-Sachs disease
J.Mol.Biol., 327, 2003
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2WS9
 | | Equine Rhinitis A Virus at Low pH | | Descriptor: | P1 | | Authors: | Fry, E.E, Tuthill, T.J, Harlos, K, Walter, T.S, Knowles, N.J, Gropelli, E, Rowlands, D.J, Stuart, D.I. | | Deposit date: | 2009-09-04 | | Release date: | 2010-08-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Equine Rhinitis a Virus and its Low Ph Empty Particle: Clues Towards an Aphthovirus Entry Mechanism?
Plos Pathog., 5, 2009
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7SVL
 | | DPP9 IN COMPLEX WITH LIGAND ICeD-2 | | Descriptor: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 9 | | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | | Deposit date: | 2021-11-19 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
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2XA7
 | | AP2 clathrin adaptor core in active complex with cargo peptides | | Descriptor: | ADAPTOR-RELATED PROTEIN COMPLEX 2, ALPHA 2 SUBUNIT, AP-2 COMPLEX SUBUNIT BETA, ... | | Authors: | Jackson, L.P, Kelly, B.T, McCoy, A.J, Evans, P.R, Owen, D.J. | | Deposit date: | 2010-03-29 | | Release date: | 2010-07-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A Large Scale Conformational Change Couples Membrane Recruitment to Cargo Binding in the Ap2 Clathrin Adaptor Complex
Cell(Cambridge,Mass.), 141, 2010
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5DOE
 | | Crystal structure of the Human Cytomegalovirus UL53 (residues 72-292) | | Descriptor: | Virion egress protein UL31 homolog, ZINC ION | | Authors: | Lye, M.F, El Omari, K, Filman, D.J, Hogle, J.M. | | Deposit date: | 2015-09-11 | | Release date: | 2015-11-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Unexpected features and mechanism of heterodimer formation of a herpesvirus nuclear egress complex.
Embo J., 34, 2015
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6U7U
 | | NMR solution structure of triazole bridged matriptase inhibitor | | Descriptor: | 1-methyl-1H-1,2,3-triazole, GLY-ARG-ALA-THR-LYS-SER-ILE-PRO-PRO-ARG-ALA-PHE-PRO-ASP | | Authors: | White, A.M, Harvey, P.J, Durek, T, Craik, D.J. | | Deposit date: | 2019-09-03 | | Release date: | 2020-04-22 | | Last modified: | 2020-07-15 | | Method: | SOLUTION NMR | | Cite: | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides.
Angew.Chem.Int.Ed.Engl., 59, 2020
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5DQN
 | | Polyethylene 600-bound form of P450 CYP125A3 mutant from Myobacterium Smegmatis - W83Y | | Descriptor: | CITRIC ACID, Cytochrome P450 CYP125, PENTAETHYLENE GLYCOL, ... | | Authors: | Ortiz de Montellano, P.J, Frank, D.J, Waddling, C.A. | | Deposit date: | 2015-09-15 | | Release date: | 2015-11-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.262 Å) | | Cite: | Cytochrome P450 125A4, the Third Cholesterol C-26 Hydroxylase from Mycobacterium smegmatis.
Biochemistry, 54, 2015
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6U9Z
 | | Wild-type MthK pore in 6 mM K+ | | Descriptor: | Calcium-gated potassium channel MthK, HEXANE-1,6-DIOL, POTASSIUM ION | | Authors: | Posson, D.J, Nimigean, C.M. | | Deposit date: | 2019-09-09 | | Release date: | 2020-11-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Selectivity filter ion binding affinity determines inactivation in a potassium channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7T8N
 | | Crystal structure of the PNAG binding module PgaA-TPR 220-359 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Poly-beta-1,6-N-acetyl-D-glucosamine export protein | | Authors: | Pfoh, R, Little, D.J, Howell, P.L. | | Deposit date: | 2021-12-16 | | Release date: | 2022-08-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | The TPR domain of PgaA is a multifunctional scaffold that binds PNAG and modulates PgaB-dependent polymer processing.
Plos Pathog., 18, 2022
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5DWY
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6U9Y
 | | Wild-type MthK pore in 11 mM K+ | | Descriptor: | Calcium-gated potassium channel MthK, HEXANE-1,6-DIOL, POTASSIUM ION | | Authors: | Posson, D.J, Nimigean, C.M. | | Deposit date: | 2019-09-09 | | Release date: | 2020-11-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Selectivity filter ion binding affinity determines inactivation in a potassium channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6U7S
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1ZOP
 | | CD11A I-DOMAIN WITH BOUND MAGNESIUM ION | | Descriptor: | CHLORIDE ION, I-DOMAIN FRAGMENT OF LFA-1, MANGANESE (II) ION | | Authors: | Leahy, D.J, Qu, A. | | Deposit date: | 1996-06-21 | | Release date: | 1996-12-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The role of the divalent cation in the structure of the I domain from the CD11a/CD18 integrin.
Structure, 4, 1996
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1ZOO
 | | CD11A I-DOMAIN WITH BOUND MAGNESIUM ION | | Descriptor: | CHLORIDE ION, LEUKOCYTE ADHESION GLYCOPROTEIN, MAGNESIUM ION | | Authors: | Leahy, D.J, Qu, A. | | Deposit date: | 1996-06-21 | | Release date: | 1996-12-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The role of the divalent cation in the structure of the I domain from the CD11a/CD18 integrin.
Structure, 4, 1996
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1M9R
 | | human endothelial nitric oxide synthase with 3-Bromo-7-Nitroindazole bound | | Descriptor: | 3-BROMO-7-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ... | | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2002-07-29 | | Release date: | 2002-08-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency
Biochemistry, 41, 2002
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1ZON
 | | CD11A I-DOMAIN WITHOUT BOUND CATION | | Descriptor: | LEUKOCYTE ADHESION GLYCOPROTEIN | | Authors: | Leahy, D.J, Qu, A. | | Deposit date: | 1996-06-20 | | Release date: | 1996-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The role of the divalent cation in the structure of the I domain from the CD11a/CD18 integrin.
Structure, 4, 1996
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5DKR
 | | Crystal Structure of Calcium-loaded S100B bound to SBi29 | | Descriptor: | 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J. | | Deposit date: | 2015-09-03 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.742 Å) | | Cite: | Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
J.Med.Chem., 59, 2016
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