6VYZ
 
 | | Escherichia coli transcription-translation complex C6 (TTC-C6) containing mRNA with a 21 nt long spacer, NusA, and fMet-tRNAs at E-site and P-site | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ... | | Authors: | Molodtsov, V, Wang, C, Su, M, Ebright, R.H. | | Deposit date: | 2020-02-27 | | Release date: | 2020-09-02 | | Last modified: | 2020-09-23 | | Method: | ELECTRON MICROSCOPY (9.9 Å) | | Cite: | Structural basis of transcription-translation coupling.
Science, 369, 2020
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2N9Y
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8FB9
 | | LH2-LH3 antenna in anti parallel configuration embedded in a nanodisc | | Descriptor: | BACTERIOCHLOROPHYLL A, LYCOPENE, Light-harvesting protein B-800/850 alpha chain, ... | | Authors: | Toporik, H, Harris, D, Schlau-Cohen, G.S, Mazor, Y. | | Deposit date: | 2022-11-29 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (6.4 Å) | | Cite: | Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8FBB
 | | LH2-LH3 antenna in parallel configuration embedded in a nanodisc | | Descriptor: | BACTERIOCHLOROPHYLL A, LYCOPENE, Light-harvesting protein B-800/850 alpha chain, ... | | Authors: | Toporik, H, Harris, D, Schlau-Cohen, G.S, Mazor, Y. | | Deposit date: | 2022-11-29 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (11.3 Å) | | Cite: | Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6VTL
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2NQ5
 | | Crystal structure of methyltransferase from Streptococcus mutans | | Descriptor: | 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase | | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-10-30 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of methyltransferase from Streptococcus mutans
To be Published
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6W0B
 | | Open-gate KcsA soaked in 2 mM BaCl2 | | Descriptor: | BARIUM ION, Fab Heavy Chain, Fab Light Chain, ... | | Authors: | Rohaim, A, Gong, L, Li, J. | | Deposit date: | 2020-02-29 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.604 Å) | | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
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2N92
 | | Solution structure of cecropin P1 with LPS | | Descriptor: | Cecropin-P1 | | Authors: | Baek, M, Kamiya, M, Kushibiki, T, Nakazumi, T, Tomisawa, S, Abe, C, Kumaki, Y, Kikukawa, T, Demura, M, Kawano, K, Aizawa, T. | | Deposit date: | 2015-11-04 | | Release date: | 2016-11-09 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Lipopolysaccharide bound structure of antimicrobial peptide cecropin P1 by NMR spectroscopy
To be Published
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8FDM
 | | Human Hemoglobin in Complex with Nitrosomethane | | Descriptor: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Powell, S.M, Richter-Addo, G.B, Thomas, L.M. | | Deposit date: | 2022-12-03 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
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6SZ2
 | | Crystal structure of YTHDC1 with fragment 3 (DHU_DC1_149) | | Descriptor: | SULFATE ION, YTH domain-containing protein 1, ~{N}-methyl-1,6-naphthyridin-4-amine | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-10-01 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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2NQA
 | | Catalytic Domain of Human Calpain 8 | | Descriptor: | CALCIUM ION, Calpain-8, Leupeptin Inhibitor | | Authors: | Davis, T.L, Paramanathan, R, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-10-30 | | Release date: | 2006-11-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Human Calpain 8
To be Published
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5UO0
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | | Descriptor: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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6VWK
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4CTQ
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl) ethyl)phenyl)ethyl)-4-methylpyridin-2-amine | | Descriptor: | (R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, 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 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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4D7O
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(4-(((3-Fluorophenethyl)amino)methyl)phenyl)-4- methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-11-25 | | Release date: | 2015-07-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Nitric Oxide Synthase as a Target for Methicillin-Resistant Staphylococcus Aureus
Chem.Biol., 22, 2015
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6SVH
 | | Protein allostery of the WW domain at atomic resolution: FFpSPR bound structure | | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Strotz, D, Orts, J, Friedmann, M, Guntert, P, Vogeli, B, Riek, R. | | Deposit date: | 2019-09-18 | | Release date: | 2020-09-30 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Protein Allostery at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 59, 2020
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5UNS
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-[(3-Ethyl-5-((methylamino)methyl)phenoxy)methyl]quinolin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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5UO3
 | | Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile | | Descriptor: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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4CTX
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl) ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[(2S)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}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 (1.82 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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6W1P
 | | RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.26 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2020-03-04 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4CX3
 | | Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(PYRIDIN-2-YL) PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE | | Descriptor: | 4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-04-03 | | Release date: | 2014-08-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.97 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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6W3N
 | | APE1 exonuclease substrate complex D148E | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(C7R))-3'), ... | | Authors: | Freudenthal, B.D, Whitaker, A.M. | | Deposit date: | 2020-03-09 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Molecular and structural characterization of disease-associated APE1 polymorphisms.
DNA Repair (Amst.), 91-92, 2020
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8FRB
 | | Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.25 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetylamino-2-deoxy-alpha-L-idopyranose, ... | | Authors: | Diaz, R.E, Fraser, J.S. | | Deposit date: | 2023-01-06 | | Release date: | 2023-03-08 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
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5URD
 | | wild type rat CYPOR bound with NADP+ - oxidized form | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Xia, C, Kim, J.J. | | Deposit date: | 2017-02-10 | | Release date: | 2018-02-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Kinetic Studies of Asp632 Mutants and Fully Reduced NADPH-Cytochrome P450 Oxidoreductase Define the Role of Asp632 Loop Dynamics in the Control of NADPH Binding and Hydride Transfer.
Biochemistry, 57, 2018
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6W58
 | | hPGDS complexed with an aza-quinoline | | Descriptor: | 7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase | | Authors: | Elkins, P.A, Ward, P. | | Deposit date: | 2020-03-12 | | Release date: | 2020-11-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.395 Å) | | Cite: | The exploration of aza-quinolines as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors with low brain exposure.
Bioorg.Med.Chem., 28, 2020
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