3CMH
 
 | | SYNTHETIC LINEAR TRUNCATED ENDOTHELIN-1 AGONIST | | Descriptor: | PROTEIN (ENDOTHELIN-1) | | Authors: | Hewage, C.M, Jiang, L, Parkinson, J.A, Ramage, R, Sadler, I.H. | | Deposit date: | 1998-09-03 | | Release date: | 1999-09-29 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a novel ETB receptor selective agonist ET1-21 [Cys(Acm)1,15, Aib3,11, Leu7] by nuclear magnetic resonance spectroscopy and molecular modelling.
J.Pept.Res., 53, 1999
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7YNN
 | | ThT-bound alpha-synuclein fibrils conformation 2 | | Descriptor: | 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium, Alpha-synuclein | | Authors: | Tao, Y.Q, Zhao, Q.Y, Liu, C, Li, D. | | Deposit date: | 2022-07-31 | | Release date: | 2023-08-02 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | ThT-bound alpha-synuclein fibrils conformation 2
To Be Published
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1IUX
 | | P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-4-HYDROXYBENZOATE AT PH 9.4 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID | | Authors: | Gatti, D.L, Entsch, B, Ballou, D.P, Ludwig, M.L. | | Deposit date: | 1995-11-22 | | Release date: | 1996-07-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | pH-dependent structural changes in the active site of p-hydroxybenzoate hydroxylase point to the importance of proton and water movements during catalysis.
Biochemistry, 35, 1996
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1S6D
 | | Structure in solution of a methionine-rich 2S Albumin protein from Sunflower Seed | | Descriptor: | Albumin 8 | | Authors: | Pantoja-Uceda, D, Bruix, M, Shewry, P.R, Santoro, J, Rico, M. | | Deposit date: | 2004-01-23 | | Release date: | 2004-06-29 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a Methionine-Rich 2S Albumin from Sunflower Seeds: Relationship to Its Allergenic and Emulsifying Properties.
Biochemistry, 43, 2004
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8RTH
 | | Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase | | Descriptor: | 3-methylcrotonyl-CoA carboxylase, putative, 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ... | | Authors: | Ruiz, F.M, Plaza-Pegueroles, A, Fernandez-Tornero, C. | | Deposit date: | 2024-01-26 | | Release date: | 2024-04-17 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.37 Å) | | Cite: | The cryo-EM structure of trypanosome 3-methylcrotonyl-CoA carboxylase provides mechanistic and dynamic insights into its enzymatic function.
Structure, 32, 2024
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3CKI
 | | Crystal structure of the TACE-N-TIMP-3 complex | | Descriptor: | ADAM 17, Metalloproteinase inhibitor 3, SODIUM ION, ... | | Authors: | Wisniewska, M, Goettig, P, Maskos, K, Belouski, E, Winters, D, Hecht, R, Black, R, Bode, W. | | Deposit date: | 2008-03-15 | | Release date: | 2008-08-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural determinants of the ADAM inhibition by TIMP-3: crystal structure of the TACE-N-TIMP-3 complex.
J.Mol.Biol., 381, 2008
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1S9E
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R129385 | | Descriptor: | 4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE, POL polyprotein [Contains: Reverse transcriptase], POL polyprotein [Contains:Reverse transcriptase] | | Authors: | Das, K, Clark Jr, A.D, Ludovici, D.W, Kukla, M.J, Decorte, B, Lewi, P.J, Hughes, S.H, Janssen, P.A, Arnold, E. | | Deposit date: | 2004-02-04 | | Release date: | 2004-05-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants.
J.Med.Chem., 47, 2004
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7YNP
 | | BF227-bound alpha-synuclein fibrils | | Descriptor: | 5-[(~{E})-2-(6-methoxy-1,3-benzoxazol-2-yl)ethenyl]-~{N},~{N}-dimethyl-1,3-thiazol-2-amine, Alpha-synuclein | | Authors: | Tao, Y.Q, Zhao, Q.Y, Liu, C, Li, D. | | Deposit date: | 2022-07-31 | | Release date: | 2023-08-02 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | BF227-bound alpha-synuclein fibrils
To Be Published
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8S0J
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | 3-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-14 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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7YNO
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7YNL
 | | EB-bound alpha-synuclein fibrils | | Descriptor: | 4-azanyl-6-[[4-[4-[(~{E})-(8-azanyl-1-oxidanyl-5,7-disulfo-naphthalen-2-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]-5-oxidanyl-naphthalene-1,3-disulfonic acid, Alpha-synuclein | | Authors: | Tao, Y.Q, Zhao, Q.Y, Liu, C, Li, D. | | Deposit date: | 2022-07-31 | | Release date: | 2023-08-02 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | EB-bound alpha-synuclein fibrils
To Be Published
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1S7S
 | | Crystal structures of the murine class I major histocompatibility complex H-2Kb in complex with LCMV-derived gp33 index peptide and three of its escape variants | | Descriptor: | Beta-2-microglobulin, Glycoprotein 9-residue peptide, H-2 class I histocompatibility antigen, ... | | Authors: | Velloso, L.M, Michaelsson, J, Ljunggren, H.G, Schneider, G, Achour, A. | | Deposit date: | 2004-01-30 | | Release date: | 2004-05-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Determination of structural principles underlying three different modes of lymphocytic choriomeningitis virus escape from CTL recognition.
J.Immunol., 172, 2004
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1S82
 | | PORCINE TRYPSIN COMPLEXED WITH BORATE AND ETHYLENE GLYCOL | | Descriptor: | 1,2-ETHANEDIOL, 1,3,2-DIOXABOROLAN-2-OL, CALCIUM ION, ... | | Authors: | Transue, T.R, Krahn, J.M, Gabel, S.A, DeRose, E.F, London, R.E. | | Deposit date: | 2004-01-30 | | Release date: | 2004-03-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols.
Biochemistry, 43, 2004
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7YNS
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8S06
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | 1H-pyrrolo[3,2-b]pyridin-7-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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6Q8I
 | | Nterminal domain of human SMU1 in complex with human REDmid | | Descriptor: | Protein Red, WD40 repeat-containing protein SMU1 | | Authors: | Tengo, L, Le Corre, L, Fournier, G, Ashraf, U, Busca, P, Rameix-Welti, M.-A, Gravier-Pelletier, C, Ruigrok, R.W.H, Jacob, Y, Vidalain, P.-O, Pietrancosta, N, Naffakh, N, McCarthy, A.A, Crepin, T. | | Deposit date: | 2018-12-14 | | Release date: | 2019-05-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | Destabilization of the human RED-SMU1 splicing complex as a basis for host-directed antiinfluenza strategy.
Proc.Natl.Acad.Sci.USA, 116, 2019
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1RZP
 | | Crystal Structure of C-Terminal Despentapeptide Nitrite Reductase from Achromobacter Cycloclastes at pH6.2 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ... | | Authors: | Li, H.T, Wang, C, Chang, T, Chang, W.C, Liu, M.Y, Le Gall, J, Gui, L.L, Zhang, J.P, An, X.M, Chang, W.R. | | Deposit date: | 2003-12-26 | | Release date: | 2004-03-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | pH-profile crystal structure studies of C-terminal despentapeptide nitrite reductase from Achromobacter cycloclastes
Biochem.Biophys.Res.Commun., 316, 2004
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1IDO
 | | I-DOMAIN FROM INTEGRIN CR3, MG2+ BOUND | | Descriptor: | INTEGRIN, MAGNESIUM ION | | Authors: | Lee, J.-O, Liddington, R. | | Deposit date: | 1996-03-12 | | Release date: | 1996-08-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the A domain from the alpha subunit of integrin CR3 (CD11b/CD18).
Cell(Cambridge,Mass.), 80, 1995
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7YNG
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8RZW
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | 3,5-bis(chloranyl)pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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1IGQ
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6PTO
 | | Structure of Ctf4 trimer in complex with three CMG helicases | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, DNA polymerase alpha-binding protein, ... | | Authors: | Yuan, Z, Georgescu, R, Bai, L, Santos, R, Donnell, M, Li, H. | | Deposit date: | 2019-07-16 | | Release date: | 2019-11-20 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Ctf4 organizes sister replisomes and Pol alpha into a replication factory.
Elife, 8, 2019
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1TAR
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8RZY
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | 1H-pyrrolo[3,2-b]pyridin-5-amine, DIMETHYL SULFOXIDE, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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7YQS
 | | Neutron structure of a L-rhamnose-alpha-1,4-D-glucuronate lyase from Fusarium oxysporum 12S, L-Rha complex | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Yano, N, Kondo, T, Kusaka, K, Yamada, T, Arakawa, T, Sakamoto, T, Fushinobu, S. | | Deposit date: | 2022-08-08 | | Release date: | 2023-08-09 | | Last modified: | 2024-03-27 | | Method: | NEUTRON DIFFRACTION (1.25 Å), X-RAY DIFFRACTION | | Cite: | Charge neutralization and beta-elimination cleavage mechanism of family 42 L-rhamnose-alpha-1,4-D-glucuronate lyase revealed using neutron crystallography.
J.Biol.Chem., 300, 2024
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