8THV
 
 | | FARFAR-NMR ensemble of HIV-1 TAR with apical loop capturing ground and excited conformational states | | Descriptor: | RNA (29-MER) | | Authors: | Roy, R, Geng, A, Shi, H, Merriman, D.K, Dethoff, E.A, Salmon, L, Al-Hashimi, H.M. | | Deposit date: | 2023-07-18 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Kinetic Resolution of the Atomic 3D Structures Formed by Ground and Excited Conformational States in an RNA Dynamic Ensemble.
J.Am.Chem.Soc., 145, 2023
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7SXB
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7UH9
 | | NMR structure of the cNTnC-cTnI chimera bound to W8 | | Descriptor: | CALCIUM ION, N-(7-aminoheptyl)-5-chloronaphthalene-1-sulfonamide, Troponin C, ... | | Authors: | Cai, F, Kampourakis, T, Cockburn, K.T, Sykes, B.D. | | Deposit date: | 2022-03-26 | | Release date: | 2022-06-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Drugging the Sarcomere, a Delicate Balance: Position of N-Terminal Charge of the Inhibitor W7.
Acs Chem.Biol., 17, 2022
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7UHA
 | | NMR structure of the cNTnC-cTnI chimera bound to W6 | | Descriptor: | CALCIUM ION, N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide, Troponin C, ... | | Authors: | Cai, F, Kampourakis, T, Cockburn, K.T, Sykes, B.D. | | Deposit date: | 2022-03-26 | | Release date: | 2022-06-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Drugging the Sarcomere, a Delicate Balance: Position of N-Terminal Charge of the Inhibitor W7.
Acs Chem.Biol., 17, 2022
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7MT4
 | | Crystal structure of tryptophan Synthase in complex with F9, NH4+, pH7.8 - alpha aminoacrylate form - E(A-A) | | Descriptor: | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, AMMONIUM ION, ... | | Authors: | Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J. | | Deposit date: | 2021-05-12 | | Release date: | 2021-12-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7MT5
 | | Crystal structure of tryptophan synthase in complex with F9, Cs+, pH7.8 - alpha aminoacrylate form - E(A-A) | | Descriptor: | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, CESIUM ION, ... | | Authors: | Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J. | | Deposit date: | 2021-05-12 | | Release date: | 2021-12-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7MT6
 | | Crystal structure of tryptophan synthase in complex with F9, Cs+, benzimidazole, pH7.8 - alpha aminoacrylate form - E(A-A)(BZI) | | Descriptor: | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BENZIMIDAZOLE, ... | | Authors: | Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J. | | Deposit date: | 2021-05-12 | | Release date: | 2021-12-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8HGX
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6WPD
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6WPB
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7WIO
 | | NMR structure of N-terminal domain of Triconephila clavipes of major ampullate spidroin 1 | | Descriptor: | Major ampullate spidroin 1A | | Authors: | Oktaviani, N.A, Malay, A.D, Matsugami, A, Hayashi, F, Numata, K. | | Deposit date: | 2022-01-04 | | Release date: | 2023-03-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Unusual p K a Values Mediate the Self-Assembly of Spider Dragline Silk Proteins.
Biomacromolecules, 24, 2023
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2A9H
 | | NMR structural studies of a potassium channel / charybdotoxin complex | | Descriptor: | Voltage-gated potassium channel, charybdotoxin | | Authors: | Yu, L, Sun, C, Song, D, Shen, J, Xu, N, Gunasekera, A, Hajduk, P.J, Olejniczak, E.T. | | Deposit date: | 2005-07-11 | | Release date: | 2006-01-10 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Nuclear magnetic resonance structural studies of a potassium channel-charybdotoxin complex.
Biochemistry, 44, 2005
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6CAH
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8X8T
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5LKN
 | | NMR solution structure of human FNIII domain 2 of NCAM | | Descriptor: | Neural cell adhesion molecule 1 | | Authors: | Slapsak, U, Salzano, G, Amin, L, Abskharon, R.N.N, Ilc, G, Zupancic, B, Biljan, I, Plavec, J, Giachin, G, Legname, G. | | Deposit date: | 2016-07-22 | | Release date: | 2016-09-14 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | The N Terminus of the Prion Protein Mediates Functional Interactions with the Neuronal Cell Adhesion Molecule (NCAM) Fibronectin Domain.
J.Biol.Chem., 291, 2016
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5VLN
 | | NMR structure of the N-domain of troponin C bound to switch region of troponin I | | Descriptor: | Troponin C, slow skeletal and cardiac muscles,Troponin I, cardiac muscle | | Authors: | Cai, F, Hwang, P.M, Sykes, B.D. | | Deposit date: | 2017-04-25 | | Release date: | 2017-05-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structures reveal details of small molecule binding to cardiac troponin.
J. Mol. Cell. Cardiol., 101, 2016
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7RSE
 | | NMR-driven structure of the KRAS4B-G12D "alpha-beta" dimer on a lipid bilayer nanodisc | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Apolipoprotein A-I, GTPase KRas, ... | | Authors: | Lee, K, Enomoto, M, Gebregiworgis, T, Gasmi-Seabrook, G.M, Ikura, M, Marshall, C.B. | | Deposit date: | 2021-08-11 | | Release date: | 2021-09-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Oncogenic KRAS G12D mutation promotes dimerization through a second, phosphatidylserine-dependent interface: a model for KRAS oligomerization.
Chem Sci, 12, 2021
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7RSC
 | | NMR-driven structure of the KRAS4B-G12D "alpha-alpha" dimer on a lipid bilayer nanodisc | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Apolipoprotein A-I, GTPase KRas, ... | | Authors: | Lee, K, Enomoto, M, Gebregiworgis, T, Gasmi-Seabrook, G.M, Ikura, M, Marshall, C.B. | | Deposit date: | 2021-08-11 | | Release date: | 2021-09-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Oncogenic KRAS G12D mutation promotes dimerization through a second, phosphatidylserine-dependent interface: a model for KRAS oligomerization.
Chem Sci, 12, 2021
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5W88
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5WCL
 | | NMR structure of the N-domain of troponin C bound to switch region of troponin I and 3-methyldiphenylamine (solvent exposed mode) | | Descriptor: | 3-methyl-N-phenylaniline, Troponin C, slow skeletal and cardiac muscles,Troponin I, ... | | Authors: | Cai, F, Hwang, P.M, Sykes, B.D. | | Deposit date: | 2017-06-30 | | Release date: | 2017-07-19 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structures reveal details of small molecule binding to cardiac troponin.
J. Mol. Cell. Cardiol., 101, 2016
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1QC8
 | | NMR STRUCTURE OF TAU EXON 10 SPLICING REGULATORY ELEMENT RNA | | Descriptor: | TAU EXON 10 SPLICING REGULATORY ELEMENT RNA | | Authors: | Varani, L, Spillantini, M.G, Klug, A, Goedert, M, Varani, G. | | Deposit date: | 1999-05-18 | | Release date: | 1999-08-31 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Structure of tau exon 10 splicing regulatory element RNA and destabilization by mutations of frontotemporal dementia and parkinsonism linked to chromosome 17.
Proc.Natl.Acad.Sci.USA, 96, 1999
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7TA8
 | | NMR structure of crosslinked cyclophilin A | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | | Authors: | Lu, M, Toptygin, D, Xiang, Y, Shi, Y, Schwieters, C.D, Lipinski, E.C, Ahn, J, Byeon, I.-J.L, Gronenborn, A.M. | | Deposit date: | 2021-12-20 | | Release date: | 2022-06-01 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Magic of Linking Rings: Discovery of a Unique Photoinduced Fluorescent Protein Crosslink.
J.Am.Chem.Soc., 144, 2022
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7WGW
 | | NMR Solution Structure of a cGMP Fill-in Vacancy G-quadruplex Formed in the Oxidized BLM Gene Promoter | | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, DNA (20-MER) | | Authors: | Wang, K.B, Liu, Y, Li, Y, Li, J, Dickerhoff, J, Yang, M.H, Yang, D, Kong, L.Y. | | Deposit date: | 2021-12-29 | | Release date: | 2022-05-18 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Oxidative Damage Induces a Vacancy G-Quadruplex That Binds Guanine Metabolites: Solution Structure of a cGMP Fill-in Vacancy G-Quadruplex in the Oxidized BLM Gene Promoter.
J.Am.Chem.Soc., 144, 2022
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7PVM
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6Z98
 | | NMR solution structure of the peach allergen Pru p 1.0101 | | Descriptor: | Major allergen Pru p 1 | | Authors: | Eidelpes, R, Fuehrer, S, Hofer, F, Kamenik, A.S, Liedl, K.R, Tollinger, M. | | Deposit date: | 2020-06-03 | | Release date: | 2021-06-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure and Zeatin Binding of the Peach Allergen Pru p 1 .
J.Agric.Food Chem., 69, 2021
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