4CX0
 
 | | Structure of bovine endothelial nitric oxide synthase Y477A mutant heme domain in complex with 6-((((3S, 5R)-5-(((6-AMINO-4- METHYLPYRIDIN-2-YL)METHOXY)METHYL)PYRROLIDIN-3-YL)OXY)METHYL)-4- METHYLPYRIDIN-2-AMINE | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-04-03 | | Release date: | 2014-08-13 | | Last modified: | 2014-09-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
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8EJ1
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8EIG
 | | The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with elexacaftor (VX-445) and ATP/Mg | | Descriptor: | (6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ... | | Authors: | Fiedorczuk, K, Chen, J. | | Deposit date: | 2022-09-15 | | Release date: | 2022-10-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular structures reveal synergistic rescue of Delta 508 CFTR by Trikafta modulators.
Science, 378, 2022
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6RQP
 | | Steady-state-SMX dark state structure of bacteriorhodopsin | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ... | | Authors: | Weinert, T, Skopintsev, P, James, D, Kekilli, D, Furrer, A, Bruenle, S, Mous, S, Nogly, P, Standfuss, J. | | Deposit date: | 2019-05-16 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography.
Science, 365, 2019
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5TFC
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with GTP | | Descriptor: | Cystic fibrosis transmembrane conductance regulator, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | Deposit date: | 2016-09-24 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
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8EIQ
 | | The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with Trikafta [elexacaftor (VX-445), tezacaftor (VX-661), ivacaftor (VX-770)] and ATP/Mg | | Descriptor: | (6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ... | | Authors: | Fiedorczuk, K, Chen, J. | | Deposit date: | 2022-09-15 | | Release date: | 2022-10-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Molecular structures reveal synergistic rescue of Delta 508 CFTR by Trikafta modulators.
Science, 378, 2022
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2M1R
 | | PHD domain of ING4 N214D mutant | | Descriptor: | Inhibitor of growth protein 4, ZINC ION | | Authors: | Blanco, F.J. | | Deposit date: | 2012-12-05 | | Release date: | 2012-12-26 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Functional impact of cancer-associated mutations in the tumor suppressor protein ING4.
Carcinogenesis, 31, 2010
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8EIO
 | | The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with elexacaftor (VX-445), lumacaftor (VX-809) and ATP/Mg | | Descriptor: | (6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ... | | Authors: | Fiedorczuk, K, Chen, J. | | Deposit date: | 2022-09-15 | | Release date: | 2022-10-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Molecular structures reveal synergistic rescue of Delta 508 CFTR by Trikafta modulators.
Science, 378, 2022
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5TA3
 | | Structure of rabbit RyR1 (Caffeine/ATP/Ca2+ dataset, class 2) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | | Deposit date: | 2016-09-09 | | Release date: | 2016-10-12 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
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4CSU
 | | Cryo-EM structures of the 50S ribosome subunit bound with ObgE | | Descriptor: | 23S RRNA, 50S RIBOSOMAL PROTEIN L1, 50S RIBOSOMAL PROTEIN L11, ... | | Authors: | Feng, B, Mandava, C.S, Guo, Q, Wang, J, Cao, W, Li, N, Zhang, Y, Zhang, Y, Wang, Z, Wu, J, Sanyal, S, Lei, J, Gao, N. | | Deposit date: | 2014-03-10 | | Release date: | 2014-06-04 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (5.5 Å) | | Cite: | Structural and Functional Insights Into the Mode of Action of a Universally Conserved Obg Gtpase.
Plos Biol., 12, 2014
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6RQ5
 | | CYP121 in complex with 3,5-dimethyl dicyclotyrosine | | Descriptor: | (3~{S},6~{S})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | | Authors: | Poddar, H, Levy, C. | | Deposit date: | 2019-05-15 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
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8EW3
 | | Cryo EM structure of Vibrio cholerae NQR | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit A, ... | | Authors: | Fuller, J.R, Juarez, O. | | Deposit date: | 2022-10-21 | | Release date: | 2022-11-16 | | Method: | ELECTRON MICROSCOPY (2.65159 Å) | | Cite: | Novel cofactor binding motifs, electron transfer and ion pumping mechanisms of the respiratory complex NQR
To Be Published
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5TB2
 | | Structure of rabbit RyR1 (EGTA-only dataset, class 2) | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ZINC ION | | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | | Deposit date: | 2016-09-11 | | Release date: | 2016-10-12 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
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4CTU
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl) phenyl)propyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[(2R)-3-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}propyl]-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-03-15 | | Release date: | 2014-05-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity.
J.Med.Chem., 57, 2014
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5TCX
 | | Crystal structure of human tetraspanin CD81 | | Descriptor: | CD81 antigen, CHOLESTEROL | | Authors: | Zimmerman, B, McMillan, B.J, Seegar, T.C.M, Kruse, A.C, Blacklow, S.C. | | Deposit date: | 2016-09-16 | | Release date: | 2016-11-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.955 Å) | | Cite: | Crystal Structure of a Full-Length Human Tetraspanin Reveals a Cholesterol-Binding Pocket.
Cell, 167, 2016
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8EN9
 | | TehA native-SAD structure determined at 5 keV with a helium environment | | Descriptor: | CHLORIDE ION, SODIUM ION, Tellurite resistance protein TehA homolog, ... | | Authors: | Karasawa, A, Andi, B, Ruchs, M.R, Shi, W, McSweeney, S, Hendrickson, W.A, Liu, Q. | | Deposit date: | 2022-09-29 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Multi-crystal native-SAD phasing at 5 keV with a helium environment.
Iucrj, 9, 2022
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5TCZ
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6RSW
 | | HFD domain of mouse CAP1 bound to the pointed end of G-actin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | | Authors: | Kotila, T, Kogan, K, Lappalainen, P. | | Deposit date: | 2019-05-22 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Mechanism of synergistic actin filament pointed end depolymerization by cyclase-associated protein and cofilin.
Nat Commun, 10, 2019
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4D0T
 | | GalNAc-T2 crystal soaked with UDP-GalNAc, EA2 peptide and manganese | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, MANGANESE (II) ION, ... | | Authors: | Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R. | | Deposit date: | 2014-04-30 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N-Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
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6RT5
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6RV7
 | | Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor inactive S270A variant in complex with the aldouronic acid UXXR | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-Xylitol, ... | | Authors: | Ernst, H.A, Mosbech, C, Langkilde, A, Westh, P, Meyer, A, Agger, J.W, Larsen, S. | | Deposit date: | 2019-05-31 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | The structural basis of fungal glucuronoyl esterase activity on natural substrates.
Nat Commun, 11, 2020
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2LVZ
 | | Solution structure of a Eosinophil Cationic Protein-trisaccharide heparin mimetic complex | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, Eosinophil cationic protein | | Authors: | Garcia Mayoral, M, Canales, A, Diaz, D, Lopez Prados, J, Moussaoui, M, de Paz, J, Angulo, J, Nieto, P, Jimenez Barbero, J, Boix, E, Bruix, M. | | Deposit date: | 2012-07-17 | | Release date: | 2013-07-31 | | Last modified: | 2020-07-29 | | Method: | SOLUTION NMR | | Cite: | Insights into the glycosaminoglycan-mediated cytotoxic mechanism of eosinophil cationic protein revealed by NMR.
Acs Chem.Biol., 8, 2013
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2M5B
 | | The NMR structure of the BID-BAK complex | | Descriptor: | Bcl-2 homologous antagonist/killer, human_BID_BH3_SAHB | | Authors: | Moldoveanu, T, Grace, C.R, Kriwacki, R.W, Green, D.R. | | Deposit date: | 2013-02-19 | | Release date: | 2013-04-17 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | BID-induced structural changes in BAK promote apoptosis.
Nat.Struct.Mol.Biol., 20, 2013
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8EGI
 | | X-ray structure of carbonmonoxy hemoglobin in complex with VZHE039-NO | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Donkor, A.K, Musayev, F.N, Safo, M.K. | | Deposit date: | 2022-09-12 | | Release date: | 2022-11-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design, Synthesis, and Investigation of Novel Nitric Oxide (NO)-Releasing Aromatic Aldehydes as Drug Candidates for the Treatment of Sickle Cell Disease.
Molecules, 27, 2022
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8EVU
 | | Cryo EM structure of Vibrio cholerae NQR | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit A, ... | | Authors: | Fuller, J.R, Juarez, O. | | Deposit date: | 2022-10-20 | | Release date: | 2022-11-16 | | Method: | ELECTRON MICROSCOPY (2.5804 Å) | | Cite: | Novel cofactor binding motifs, electron transfer and ion pumping mechanisms of the respiratory complex NQR
To Be Published
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