8QVA
 
 | | Hexameric HIV-1 CA in complex with DDD01829894 | | Descriptor: | 1,2-ETHANEDIOL, 7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
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4INB
 | | Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With benzodiazepine Inhibitor | | Descriptor: | (3Z)-3-{[(2-methoxyethyl)amino]methylidene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione, Gag protein, SODIUM ION | | Authors: | Coulombe, R. | | Deposit date: | 2013-01-04 | | Release date: | 2013-02-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Monitoring Binding of HIV-1 Capsid Assembly Inhibitors Using (19) F Ligand-and (15) N Protein-Based NMR and X-ray Crystallography: Early Hit Validation of a Benzodiazepine Series.
Chemmedchem, 8, 2013
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3PHY
 | | PHOTOACTIVE YELLOW PROTEIN, DARK STATE (UNBLEACHED), SOLUTION STRUCTURE, NMR, 26 STRUCTURES | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | | Authors: | Dux, P, Rubinstenn, G, Vuister, G.W, Boelens, R, Mulder, F.A.A, Hard, K, Hoff, W.D, Kroon, A, Crielaard, W, Hellingwerf, K.J, Kaptein, R. | | Deposit date: | 1998-02-06 | | Release date: | 1998-05-27 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure and backbone dynamics of the photoactive yellow protein.
Biochemistry, 37, 1998
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1ARK
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1N9U
 | | Differences and Similarities in Solution Structures of Angiotensin I & II: Implication for Structure-Function Relationship | | Descriptor: | Angiotensin I | | Authors: | Spyroulias, G.A, Nikolakopoulou, P, Tzakos, A, Gerothanassis, I.P, Magafa, V, Manessi-Zoupa, E, Cordopatis, P. | | Deposit date: | 2002-11-26 | | Release date: | 2003-07-29 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Comparison of the solution structures of angiotensin I & II. Implication for structure-function relationship.
Eur.J.Biochem., 270, 2003
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1O2F
 | | COMPLEX OF ENZYME IIAGLC AND IIBGLC PHOSPHOCARRIER PROTEIN HPR FROM ESCHERICHIA COLI NMR, RESTRAINED REGULARIZED MEAN STRUCTURE | | Descriptor: | PHOSPHITE ION, PTS system, glucose-specific IIA component, ... | | Authors: | Clore, G.M, Cai, M, Williams, D.C. | | Deposit date: | 2003-03-11 | | Release date: | 2003-05-13 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Phosphoryl Transfer Complex between the Signal-transducing Protein IIAGlucose and the Cytoplasmic Domain of the Glucose Transporter IICBGlucose of the Escherichia coli Glucose Phosphotransferase System.
J.Biol.Chem., 278, 2003
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1BKU
 | | EFFECTS OF GLYCOSYLATION ON THE STRUCTURE AND DYNAMICS OF EEL CALCITONIN, NMR, 10 STRUCTURES | | Descriptor: | CALCITONIN | | Authors: | Hashimoto, Y, Nishikido, J, Toma, K, Yamamoto, K, Haneda, K, Inazu, T, Valentine, K, Opella, S.J. | | Deposit date: | 1998-07-13 | | Release date: | 1999-01-13 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Effects of glycosylation on the structure and dynamics of eel calcitonin in micelles and lipid bilayers determined by nuclear magnetic resonance spectroscopy.
Biochemistry, 38, 1999
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6YFY
 | | Solid-state NMR structure of the D-Arg4,L10-teixobactin - Lipid II complex in lipid bilayers. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, 3-methylbut-2-en-1-ol, D-Arg4,Leu10-Teixobactin, ... | | Authors: | Weingarth, M.H, Shukla, R. | | Deposit date: | 2020-03-26 | | Release date: | 2020-06-10 | | Last modified: | 2023-11-15 | | Method: | SOLID-STATE NMR | | Cite: | Mode of action of teixobactins in cellular membranes.
Nat Commun, 11, 2020
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1A5E
 | | SOLUTION NMR STRUCTURE OF TUMOR SUPPRESSOR P16INK4A, 18 STRUCTURES | | Descriptor: | TUMOR SUPPRESSOR P16INK4A | | Authors: | Byeon, I.-J.L, Li, J, Ericson, K, Selby, T.L, Tevelev, A, Kim, H.-J, O'Maille, P, Tsai, M.-D. | | Deposit date: | 1998-02-13 | | Release date: | 1999-08-13 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Tumor suppressor p16INK4A: determination of solution structure and analyses of its interaction with cyclin-dependent kinase 4.
Mol.Cell, 1, 1998
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1N9V
 | | Differences and Similarities in Solution Structures of Angiotensin I & II: Implication for Structure-Function Relationship. | | Descriptor: | Angiotensin II | | Authors: | Spyroulias, G.A, Nikolakopoulou, P, Tzakos, A, Gerothanassis, I.P, Magafa, V, Manessi-Zoupa, E, Cordopatis, P. | | Deposit date: | 2002-11-26 | | Release date: | 2003-07-29 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Comparison of the solution structures of angiotensin I & II. Implication for structure-function relationship.
Eur.J.Biochem., 270, 2003
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3DSO
 | | Crystal structure of Cu(I) bound copper resistance protein CopK | | Descriptor: | COPPER (I) ION, Putative uncharacterized protein copK, THIOCYANATE ION | | Authors: | Ash, M.-R, Maher, M.J. | | Deposit date: | 2008-07-13 | | Release date: | 2009-03-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Unprecedented binding cooperativity between Cu(I) and Cu(II) in the copper resistance protein CopK from Cupriavidus metallidurans CH34: implications from structural studies by NMR spectroscopy and X-ray crystallography
J.Am.Chem.Soc., 131, 2009
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3DSP
 | | Crystal structure of apo copper resistance protein CopK | | Descriptor: | Putative uncharacterized protein copK | | Authors: | Ash, M.-R, Maher, M.J. | | Deposit date: | 2008-07-13 | | Release date: | 2009-03-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Unprecedented binding cooperativity between Cu(I) and Cu(II) in the copper resistance protein CopK from Cupriavidus metallidurans CH34: implications from structural studies by NMR spectroscopy and X-ray crystallography
J.Am.Chem.Soc., 131, 2009
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1A24
 | | SOLUTION NMR STRUCTURE OF REDUCED DSBA FROM ESCHERICHIA COLI, FAMILY OF 20 STRUCTURES | | Descriptor: | DSBA | | Authors: | Schirra, H.J, Renner, C, Czisch, M, Huber-Wunderlich, M, Holak, T.A, Glockshuber, R. | | Deposit date: | 1998-01-15 | | Release date: | 1998-09-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of reduced DsbA from Escherichia coli in solution.
Biochemistry, 37, 1998
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1A23
 | | SOLUTION NMR STRUCTURE OF REDUCED DSBA FROM ESCHERICHIA COLI, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | DSBA | | Authors: | Schirra, H.J, Renner, C, Czisch, M, Huber-Wunderlich, M, Holak, T.A, Glockshuber, R. | | Deposit date: | 1998-01-15 | | Release date: | 1998-09-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of reduced DsbA from Escherichia coli in solution.
Biochemistry, 37, 1998
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1CX1
 | | SECOND N-TERMINAL CELLULOSE-BINDING DOMAIN FROM CELLULOMONAS FIMI BETA-1,4-GLUCANASE C, NMR, 22 STRUCTURES | | Descriptor: | ENDOGLUCANASE C | | Authors: | Brun, E, Johnson, P.E, Creagh, L.A, Haynes, C.A, Tomme, P, Webster, P, Kilburn, D.G, McIntosh, L.P. | | Deposit date: | 1999-08-27 | | Release date: | 2000-04-02 | | Last modified: | 2017-02-01 | | Method: | SOLUTION NMR | | Cite: | Structure and binding specificity of the second N-terminal cellulose-binding domain from Cellulomonas fimi endoglucanase C.
Biochemistry, 39, 2000
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1PSY
 | | STRUCTURE OF RicC3, NMR, 20 STRUCTURES | | Descriptor: | 2S albumin | | Authors: | Pantoja-Uceda, D, Bruix, M, Gimenez-Gallego, G, Rico, M, Santoro, J. | | Deposit date: | 2003-06-22 | | Release date: | 2004-01-13 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Solution structure of RicC3, a 2S albumin storage protein from Ricinus communis.
Biochemistry, 42, 2003
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1GX7
 | | Best model of the electron transfer complex between cytochrome c3 and [Fe]-hydrogenase | | Descriptor: | 1,3-PROPANEDITHIOL, CARBON MONOXIDE, CYANIDE ION, ... | | Authors: | Elantak, L, Morelli, X, Bornet, O, Hatchikian, C, Czjzek, M, Dolla, A, Guerlesquin, F. | | Deposit date: | 2002-03-28 | | Release date: | 2003-07-31 | | Last modified: | 2019-11-27 | | Method: | SOLUTION NMR, THEORETICAL MODEL | | Cite: | The Cytochrome C(3)-[Fe]-Hydrogenase Electron-Transfer Complex: Structural Model by NMR Restrained Docking
FEBS Lett., 548, 2003
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6F3Y
 | | Backbone structure of Des-Arg10-Kallidin (DAKD) peptide bound to human Bradykinin 1 Receptor (B1R) determined by DNP-enhanced MAS SSNMR | | Descriptor: | Kininogen-1 | | Authors: | Mao, J, Kuenze, G, Joedicke, L, Meiler, J, Michel, H, Glaubitz, C. | | Deposit date: | 2017-11-29 | | Release date: | 2018-01-10 | | Last modified: | 2024-06-19 | | Method: | SOLID-STATE NMR | | Cite: | The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
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6F3X
 | | Backbone structure of Des-Arg10-Kallidin (DAKD) peptide in frozen DDM/CHS detergent micelle solution determined by DNP-enhanced MAS SSNMR | | Descriptor: | Kininogen-1 | | Authors: | Mao, J, Kuenze, G, Joedicke, L, Meiler, J, Michel, H, Glaubitz, C. | | Deposit date: | 2017-11-29 | | Release date: | 2018-01-10 | | Last modified: | 2024-06-19 | | Method: | SOLID-STATE NMR | | Cite: | The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
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1HP2
 | | SOLUTION STRUCTURE OF A TOXIN FROM THE SCORPION TITYUS SERRULATUS (TSTX-K ALPHA) DETERMINED BY NMR. | | Descriptor: | TITYUSTOXIN K ALPHA | | Authors: | Ellis, K.C, Tenenholz, T.C, Gilly, W.F, Blaustein, M.P, Weber, D.J. | | Deposit date: | 2000-12-12 | | Release date: | 2001-06-13 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Interaction of a toxin from the scorpion Tityus serrulatus with a cloned K+ channel from squid (sqKv1A).
Biochemistry, 40, 2001
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7V3Z
 | | Structure of cannabinoid receptor type 1(CB1) | | Descriptor: | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, CHOLESTEROL, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Liu, Z.J, Shen, L, Hua, T, Yao, D.Q, Wu, L.J. | | Deposit date: | 2021-08-12 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | A Genetically Encoded F-19 NMR Probe Reveals the Allosteric Modulation Mechanism of Cannabinoid Receptor 1.
J.Am.Chem.Soc., 143, 2021
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1AFF
 | | DNA QUADRUPLEX CONTAINING GGGG TETRADS AND (T.A).A TRIADS, NMR, 8 STRUCTURES | | Descriptor: | QUADRUPLEX DNA (5'-D(TP*AP*GP*G)-3') | | Authors: | Kettani, A, Bouaziz, S, Wang, W, Jones, R.A, Patel, D.J. | | Deposit date: | 1997-03-06 | | Release date: | 1997-08-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Bombyx mori single repeat telomeric DNA sequence forms a G-quadruplex capped by base triads.
Nat.Struct.Biol., 4, 1997
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1AP7
 | | P19-INK4D FROM MOUSE, NMR, 20 STRUCTURES | | Descriptor: | P19-INK4D | | Authors: | Archer, S.J, Luh, F.Y, Domaille, P.J, Smith, B.O, Laue, E.D. | | Deposit date: | 1997-07-25 | | Release date: | 1998-09-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the cyclin-dependent kinase inhibitor p19Ink4d.
Nature, 389, 1997
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7P2K
 | | Solution NMR Structure of Arginine to Cysteine mutant of Arkadia RING domain. | | Descriptor: | E3 ubiquitin-protein ligase Arkadia, ZINC ION | | Authors: | Raptis, V, Marousis, K.D, Birkou, M, Bentrop, D, Episkopou, V, Spyroulias, G.A. | | Deposit date: | 2021-07-06 | | Release date: | 2022-03-23 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Impact of a Single Nucleotide Polymorphism on the 3D Protein Structure and Ubiquitination Activity of E3 Ubiquitin Ligase Arkadia.
Front Mol Biosci, 9, 2022
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1AX7
 | | SOLUTION STRUCTURE OF THE [AF]-C8-DG ADDUCT POSITIONED AT A TEMPLATE-PRIMER JUNCTION, NMR, 6 STRUCTURES | | Descriptor: | 2-AMINOFLUORENE, DNA DUPLEX D(AAC-[AF]G-CTACCATCC)D(GGATGGTAG) | | Authors: | Mao, B, Gu, Z, Gorin, A.A, Hingerty, B.E, Broyde, S, Patel, D.J. | | Deposit date: | 1997-10-30 | | Release date: | 1998-07-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the aminofluorene-stacked conformer of the syn [AF]-C8-dG adduct positioned at a template-primer junction.
Biochemistry, 36, 1997
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