4CQN
 
 | | Crystal structure of the E.coli LeuRS-tRNA complex with the non- cognate isoleucyl adenylate analogue | | Descriptor: | ESCHERICHIA COLI TRNA-LEU UAA ISOACCEPTOR, LEUCINE--TRNA LIGASE, MAGNESIUM ION, ... | | Authors: | Palencia, A, Cusack, S, Cvetesic, N, Haslaz, I, Gruic-Sovulj, I. | | Deposit date: | 2014-02-20 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Physiological Target for Leurs Translational Quality Control is Norvaline
Embo J., 33, 2014
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6RS4
 | | Structure of tabersonine synthase - an alpha-beta hydrolase from Catharanthus roseus | | Descriptor: | 1,2-ETHANEDIOL, Tabersonine synthase | | Authors: | Caputi, L, Franke, J, Bussey, K, Farrow, S.C, Curcino Vieira, I.J, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E. | | Deposit date: | 2019-05-21 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Nat.Chem.Biol., 16, 2020
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6V93
 | | Structure of DNA Polymerase Zeta/DNA/dNTP Ternary Complex | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA, ... | | Authors: | Malik, R, Kopylov, M, Jain, R, Ubarrextena-Belandia, I, Aggarwal, A.K. | | Deposit date: | 2019-12-13 | | Release date: | 2020-08-19 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure and mechanism of B-family DNA polymerase zeta specialized for translesion DNA synthesis.
Nat.Struct.Mol.Biol., 27, 2020
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6RYZ
 | | SalL with S-adenosyl methionine | | Descriptor: | 1,2-ETHANEDIOL, Adenosyl-chloride synthase, CHLORIDE ION, ... | | Authors: | McKean, I, Frese, A, Cuetos, A, Burley, G, Grogan, G. | | Deposit date: | 2019-06-12 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | S-Adenosyl Methionine Cofactor Modifications Enhance the Biocatalytic Repertoire of Small Molecule C-Alkylation.
Angew.Chem.Int.Ed.Engl., 58, 2019
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6D9J
 | | Mammalian 80S ribosome with a double translocated CrPV-IRES, P-sitetRNA and eRF1. | | Descriptor: | 18S rRNA, 28S rRNA, 5.8S rRNA, ... | | Authors: | Pisareva, V.P, Pisarev, A.V, Fernandez, I.S. | | Deposit date: | 2018-04-30 | | Release date: | 2018-06-06 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Dual tRNA mimicry in the Cricket Paralysis Virus IRES uncovers an unexpected similarity with the Hepatitis C Virus IRES.
Elife, 7, 2018
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2J4F
 | | Torpedo acetylcholinesterase - Hg heavy-atom derivative | | Descriptor: | ACETYLCHOLINESTERASE, MERCURY (II) ION | | Authors: | Kreimer, D.I, Dolginova, E.A, Raves, M, Sussman, J.L, Silman, I, Weiner, L. | | Deposit date: | 2006-08-30 | | Release date: | 2006-09-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A Metastable State of Torpedo Californica Acetylcholinesterase Generated by Modification with Organomercurials
Biochemistry, 33, 1994
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6RZQ
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6S43
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-(Azocan-1-ylsulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | | Descriptor: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | | Authors: | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | | Deposit date: | 2019-06-26 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
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6S54
 | | Transaminase from Pseudomonas fluorescens | | Descriptor: | Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Smith, P, Roura Padrosa, D, Lopez-Gallego, F, Paradisi, F, Dreveny, I. | | Deposit date: | 2019-06-30 | | Release date: | 2019-11-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Enhancing PLP-Binding Capacity of Class-III omega-Transaminase by Single Residue Substitution.
Front Bioeng Biotechnol, 7, 2019
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1RJV
 | | Solution Structure of Human alpha-Parvalbumin refined with a paramagnetism-based strategy | | Descriptor: | CALCIUM ION, Parvalbumin alpha | | Authors: | Baig, I, Bertini, I, Del Bianco, C, Gupta, Y.K, Lee, Y.M, Luchinat, C, Quattrone, A, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2003-11-20 | | Release date: | 2004-05-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Paramagnetism-Based Refinement Strategy for the Solution Structure of Human alpha-Parvalbumin.
Biochemistry, 43, 2004
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6DUS
 | | Structure of Salmonella Effector SseK3 E258Q mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chung, I.Y.W, Cygler, M. | | Deposit date: | 2018-06-21 | | Release date: | 2018-07-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Salmonella Effectors SseK1 and SseK3 Target Death Domain Proteins in the TNF and TRAIL Signaling Pathways.
Mol.Cell Proteomics, 18, 2019
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5OML
 | | Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules to investigate the water envelope | | Descriptor: | (3~{R})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid, BETA-MERCAPTOETHANOL, Peroxin 14, ... | | Authors: | Ratkova, E.L, Dawidowski, M, Napolitano, V, Dubin, G, Fino, R, Popowicz, G, Sattler, M, Tetko, I.V. | | Deposit date: | 2017-08-01 | | Release date: | 2019-03-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules to investigate the water envelope
To Be Published
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6S7W
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-(Azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(quinolin-4-yl)acetamide | | Descriptor: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | | Authors: | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | | Deposit date: | 2019-07-07 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
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6RFC
 | | Crystal structure of the potassium-pumping G263F mutant of the light-driven sodium pump KR2 in the monomeric form, pH 4.3 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, GLYCEROL, ... | | Authors: | Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. | | Deposit date: | 2019-04-12 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019
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6V4C
 | | Culex quinquefasciatus D7 long form 1- CxD7L1 in complex with ADP | | Descriptor: | 1,2-ETHANEDIOL, 2-ETHOXYETHANOL, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Calvo, E, Garboczi, D.N, Martin-Martin, I, Gittis, A.G. | | Deposit date: | 2019-11-27 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | ADP binding by the Culex quinquefasciatus mosquito D7 salivary protein enhances blood feeding on mammals.
Nat Commun, 11, 2020
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2P0K
 | | Crystal structure of SCMH1 | | Descriptor: | CHLORIDE ION, PHOSPHATE ION, Polycomb protein SCMH1 | | Authors: | Herzanych, N, Senisterra, G, Liu, Y, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-02-28 | | Release date: | 2007-03-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of SCMH1
To be Published
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6S7K
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-(N-methylsulfamoyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | | Descriptor: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | | Authors: | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | | Deposit date: | 2019-07-05 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
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6RJ1
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5NAV
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5ND8
 | | Hibernating ribosome from Staphylococcus aureus (Unrotated state) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Khusainov, I, Vicens, Q, Ayupov, R, Usachev, K, Myasnikov, A, Simonetti, A, Validov, S, Kieffer, B, Yusupova, G, Yusupov, M, Hashem, Y. | | Deposit date: | 2017-03-07 | | Release date: | 2017-06-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structures and dynamics of hibernating ribosomes from Staphylococcus aureus mediated by intermolecular interactions of HPF.
EMBO J., 36, 2017
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6RV5
 | | X-ray structure of the levansucrase from Erwinia tasmaniensis in complex with levanbiose | | Descriptor: | GLYCEROL, Levansucrase (Beta-D-fructofuranosyl transferase), ZINC ION, ... | | Authors: | Polsinelli, I, Caliandro, R, Demitri, N, Benini, S. | | Deposit date: | 2019-05-31 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | The Structure of Sucrose-Soaked Levansucrase Crystals fromErwinia tasmaniensisreveals a Binding Pocket for Levanbiose.
Int J Mol Sci, 21, 2019
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4GTL
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5NFY
 | | SARS-CoV nsp10/nsp14 dynamic complex | | Descriptor: | DI(HYDROXYETHYL)ETHER, Polyprotein 1ab, ZINC ION | | Authors: | Ferron, F, Gluais, L, Vonrhein, C, Bricogne, G, Canard, B, Imbert, I. | | Deposit date: | 2017-03-16 | | Release date: | 2018-01-10 | | Last modified: | 2019-02-20 | | Method: | X-RAY DIFFRACTION (3.382 Å) | | Cite: | Structural and molecular basis of mismatch correction and ribavirin excision from coronavirus RNA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7B3K
 | | Dynamic complex between all-D-enantiomeric peptide D3 with L723P mutant of amyloid precursor protein (APP) 672-726 fragment (amyloid beta 1-55) | | Descriptor: | D3 all D-enantimeric peptide, Isoform L-APP677 of Amyloid-beta precursor protein | | Authors: | Bocharov, E.V, Volynsky, P.E, Okhrimenko, I.S, Urban, A.S. | | Deposit date: | 2020-12-01 | | Release date: | 2021-01-13 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | All - d - Enantiomeric Peptide D3 Designed for Alzheimer's Disease Treatment Dynamically Interacts with Membrane-Bound Amyloid-beta Precursors.
J.Med.Chem., 64, 2021
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6S7Z
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | | Descriptor: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | | Authors: | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | | Deposit date: | 2019-07-07 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
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