5UNU
 
 | | Structure of rat 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, 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 (2.05 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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5UO7
 | | Structure of human 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, 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 (2.06 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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6THS
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6UIT
 | | HIV-1 wild-type reverse transcriptase-DNA complex with dCTP | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA primer, DNA template, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2019-10-01 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.80607414 Å) | | Cite: | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
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6T1W
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5UQ4
 | | Crystal structure of Heme-Degrading Protein Rv3592 from Mycobacterium tuberculosis - heme free with cleaved protein | | Descriptor: | Monooxygenase | | Authors: | Chang, C, Chhor, G, Jedrzejczak, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-02-06 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Crystal structure of Heme-Degrading Protein Rv3592 from Mycobacterium tuberculosis - heme free with cleaved protein.
To Be Published
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6T24
 | | Cryo-EM structure of jasplakinolide-stabilized F-actin (aged) | | Descriptor: | (4~{R},7~{R},10~{S},13~{S},15~{E},19~{S})-10-(4-azanylbutyl)-4-(4-hydroxyphenyl)-7-(1~{H}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | | Authors: | Pospich, S, Merino, F, Raunser, S. | | Deposit date: | 2019-10-07 | | Release date: | 2020-03-04 | | Last modified: | 2020-04-15 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural Effects and Functional Implications of Phalloidin and Jasplakinolide Binding to Actin Filaments.
Structure, 28, 2020
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6UI0
 | | Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases | | Descriptor: | ACETATE ION, Streptavidin, {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) | | Authors: | Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S. | | Deposit date: | 2019-09-29 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases.
Inorg.Chem., 59, 2020
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6T31
 | | Streptavidin variants harbouring an artificial organocatalyst based cofactor | | Descriptor: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide, Streptavidin | | Authors: | Lechner, H, Hocker, B. | | Deposit date: | 2019-10-10 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host*.
Chembiochem, 22, 2021
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4B2D
 | | human PKM2 with L-serine and FBP bound. | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, PYRUVATE KINASE ISOZYMES M1/M2, ... | | Authors: | Chaneton, B, Hillmann, P, Zheng, L, Martin, A.C.L, Maddocks, O.D.K, Chokkathukalam, A, Coyle, J.E, Jankevics, A, Holding, F.P, Vousden, K.H, Frezza, C, O'Reilly, M, Gottlieb, E. | | Deposit date: | 2012-07-13 | | Release date: | 2012-10-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Serine is a natural ligand and allosteric activator of pyruvate kinase M2.
Nature, 491, 2012
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6UJS
 | | P-glycoprotein mutant-F728A and C952A-with BDE100 | | Descriptor: | 2,4-dibromophenyl 2,4,6-tribromophenyl ether, ATP-dependent translocase ABCB1 | | Authors: | Aller, S.G, Le, C.A. | | Deposit date: | 2019-10-03 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (4.17 Å) | | Cite: | Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein.
Iucrj, 7, 2020
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6T59
 | | Structure of rabbit 80S ribosome translating beta-tubulin in complex with tetratricopeptide protein 5 and nascent chain-associated complex | | Descriptor: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | | Authors: | Lin, Z, Gasic, I, Chandrasekaran, V, Peters, N, Shao, S, Ramakrishnan, V, Mitchison, T.J, Hegde, R.S. | | Deposit date: | 2019-10-15 | | Release date: | 2019-11-27 | | Last modified: | 2020-01-15 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | TTC5 mediates autoregulation of tubulin via mRNA degradation.
Science, 367, 2020
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6UJN
 | | P-glycoprotein mutant-C952A-with BDE100 | | Descriptor: | 2,4-dibromophenyl 2,4,6-tribromophenyl ether, ATP-dependent translocase ABCB1 | | Authors: | Aller, S.G, Le, C.A. | | Deposit date: | 2019-10-03 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.98 Å) | | Cite: | Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein.
Iucrj, 7, 2020
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6UK0
 | | HIV-1 M184V reverse transcriptase-DNA complex | | Descriptor: | MAGNESIUM ION, Primer DNA, SULFATE ION, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2019-10-03 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.75695229 Å) | | Cite: | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
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6WD6
 | | Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Cognate Structure II-C2) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Loveland, A.B, Demo, G, Korostelev, A.A. | | Deposit date: | 2020-03-31 | | Release date: | 2020-07-08 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading.
Nature, 584, 2020
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6WD4
 | | Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Cognate Structure II-B2) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Loveland, A.B, Demo, G, Korostelev, A.A. | | Deposit date: | 2020-03-31 | | Release date: | 2020-07-08 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading.
Nature, 584, 2020
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6WDL
 | | Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Non-cognate Structure V-B1) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Loveland, A.B, Demo, G, Korostelev, A.A. | | Deposit date: | 2020-03-31 | | Release date: | 2020-07-01 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading.
Nature, 584, 2020
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6WD0
 | | Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Cognate Structure I-A) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Loveland, A.B, Demo, G, Korostelev, A.A. | | Deposit date: | 2020-03-31 | | Release date: | 2020-07-01 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading.
Nature, 584, 2020
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2OIG
 | | Crystal structure of RS21-C6 core segment and dm5CTP complex | | Descriptor: | 2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), RS21-C6 | | Authors: | Wu, B, Liu, Y, Zhao, Q, Liao, S, Zhang, J, Bartlam, M, Chen, W, Rao, Z. | | Deposit date: | 2007-01-11 | | Release date: | 2007-03-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal Structure of RS21-C6, Involved in Nucleoside Triphosphate Pyrophosphohydrolysis
J.Mol.Biol., 367, 2007
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4B0P
 | | Crystal structure of soman-aged human butyrylcholinesterase in complex with methyl 2-(pentafluorobenzyloxyimino)pyridinium | | Descriptor: | 1-(1-methylpyridin-1-ium-2-yl)-N-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wandhammer, M, de Koning, M, van Grol, M, Noort, D, Goeldner, M, Nachon, F. | | Deposit date: | 2012-07-04 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Step Toward the Reactivation of Aged Cholinesterases -Crystal Structure of Ligands Binding to Aged Human Butyrylcholinesterase
Chem.Biol.Interact, 203, 2013
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6WDA
 | | Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Cognate Structure III-C) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Loveland, A.B, Demo, G, Korostelev, A.A. | | Deposit date: | 2020-03-31 | | Release date: | 2020-07-08 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading.
Nature, 584, 2020
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6TB2
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6WDI
 | | Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Non-cognate Structure IV-B2) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Loveland, A.B, Demo, G, Korostelev, A.A. | | Deposit date: | 2020-03-31 | | Release date: | 2020-07-01 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading.
Nature, 584, 2020
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6WF2
 | | Crystal structure of mouse SCD1 with a diiron center | | Descriptor: | Acyl-CoA desaturase 1, FE (III) ION, S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name) | | Authors: | Shen, J, Zhou, M. | | Deposit date: | 2020-04-03 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.51 Å) | | Cite: | Structure and Mechanism of a Unique Diiron Center in Mammalian Stearoyl-CoA Desaturase.
J.Mol.Biol., 432, 2020
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6WD8
 | | Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Cognate Structure III-A) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Loveland, A.B, Demo, G, Korostelev, A.A. | | Deposit date: | 2020-03-31 | | Release date: | 2020-07-08 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading.
Nature, 584, 2020
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