4XGB
 
 | | Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (SurE) from Salmonella typhimurium co-crystallized with AMP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5'/3'-nucleotidase SurE, MAGNESIUM ION, ... | | Authors: | Mathiharan, Y.K, Murthy, M.R.N. | | Deposit date: | 2014-12-30 | | Release date: | 2015-09-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Insights into stabilizing interactions in the distorted domain-swapped dimer of Salmonella typhimurium survival protein.
Acta Crystallogr.,Sect.D, 71, 2015
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6XLF
 | | Full-length Hsc82 in complex with Aha1 in the presence of AMP-PNP | | Descriptor: | ATP-dependent molecular chaperone HSC82, Hsp90 co-chaperone AHA1, MAGNESIUM ION, ... | | Authors: | Liu, Y.X, Sun, M, Myasnikov, A.G, Elnatan, D, Agard, D.A. | | Deposit date: | 2020-06-28 | | Release date: | 2021-06-30 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Cryo-EM structures reveal a multistep mechanism of Hsp90 activation by co-chaperone Aha1
To Be Published
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4XJ7
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6AX8
 | | Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with methionyl-adenylate | | Descriptor: | Methionine-tRNA ligase, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2S)-2-azanyl-4-methylsulfanyl-butanoate | | Authors: | Barros-Alvarez, X, Hol, W.G.J. | | Deposit date: | 2017-09-06 | | Release date: | 2018-04-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The crystal structure of the drug target Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with a catalytic intermediate.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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5FPO
 | | Structure of Bacterial DNA Ligase with small-molecule ligand 1H- indazol-7-amine (AT4213) in an alternate binding site. | | Descriptor: | 1H-indazol-7-amine, DNA LIGASE | | Authors: | Jhoti, H, Ludlow, R.F, Pathuri, P, Saini, H.K, Tickle, I.J, Tisi, D, Verdonk, M, Williams, P.A. | | Deposit date: | 2015-12-02 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5FPR
 | | Structure of Bacterial DNA Ligase with small-molecule ligand pyrimidin-2-amine (AT371) in an alternate binding site. | | Descriptor: | DNA LIGASE, PYRIMIDIN-2-AMINE, SULFATE ION | | Authors: | Jhoti, H, Ludlow, R.F, Pathuri, P, Saini, H.K, Tickle, I.J, Tisi, D, Verdonk, M, Williams, P.A. | | Deposit date: | 2015-12-02 | | Release date: | 2015-12-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6Z15
 | | Human wtSTING in complex with 3',3'-c-di-AMP | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Stimulator of interferon protein | | Authors: | Boura, E, Smola, M. | | Deposit date: | 2020-05-12 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
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8UTP
 | | KIF1A[1-393] - AMP-PNP two-heads-bound state in complex with a microtubule - class T3L1 | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF1A, ... | | Authors: | Benoit, M.P.M.H, Rao, L, Asenjo, A.B, Gennerich, A, Sosa, H. | | Deposit date: | 2023-10-31 | | Release date: | 2024-06-12 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM unveils kinesin KIF1A's processivity mechanism and the impact of its pathogenic variant P305L.
Nat Commun, 15, 2024
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6CZ5
 | | Crystal structure of small molecule AMP-acrylamide covalently bound to DDX3 S228C | | Descriptor: | 5'-O-[(R)-hydroxy(propanoylamino)phosphoryl]adenosine, ATP-dependent RNA helicase DDX3X | | Authors: | Barkovich, K.J, Moore, M.K, Hu, Q, Shokat, K.M. | | Deposit date: | 2018-04-08 | | Release date: | 2018-08-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Chemical genetic inhibition of DEAD-box proteins using covalent complementarity.
Nucleic Acids Res., 46, 2018
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5E6M
 | | Crystal structure of human wild type GlyRS bound with tRNAGly | | Descriptor: | GLYCYL-ADENOSINE-5'-PHOSPHATE, Glycine--tRNA ligase, NICKEL (II) ION, ... | | Authors: | Xie, W, Qin, X, Deng, X, Chen, L, Liu, Y. | | Deposit date: | 2015-10-10 | | Release date: | 2016-07-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.927 Å) | | Cite: | Crystal Structure of the Wild-Type Human GlyRS Bound with tRNA(Gly) in a Productive Conformation
J.Mol.Biol., 428, 2016
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4H1Y
 | | Human ecto-5'-nucleotidase (CD73): crystal form II (open) in complex with PSB11552 | | Descriptor: | 2,2'-[(2-{[2-({[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)ethyl]amino}-2-oxoethyl)imino]diacetic acid (non-preferred name), 5'-nucleotidase, CALCIUM ION, ... | | Authors: | Pippel, J, Zebisch, M, Knapp, K, Straeter, N. | | Deposit date: | 2012-09-11 | | Release date: | 2012-11-28 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling.
Structure, 20, 2012
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6BS5
 | | Crystal structure of AMP-PNP-bound bacterial Get3-like A and B in Mycobacterium tuberculosis | | Descriptor: | Anion transporter, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Li, H, Hu, K, Kovach, A. | | Deposit date: | 2017-12-01 | | Release date: | 2019-05-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Characterization of Guided Entry of Tail-Anchored Proteins 3 Homologues in Mycobacterium tuberculosis.
J.Bacteriol., 201, 2019
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4N67
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5D3M
 | | Folate ECF transporter: AMPPNP bound state | | Descriptor: | Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT, ... | | Authors: | Guskov, A, Swier, L.J.Y.M, Slotboom, D.J. | | Deposit date: | 2015-08-06 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.303 Å) | | Cite: | Structural insight in the toppling mechanism of an energy-coupling factor transporter.
Nat Commun, 7, 2016
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5RHN
 | | HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN (HINT) FROM RABBIT COMPLEXED WITH 8-BR-AMP | | Descriptor: | 8-BROMO-ADENOSINE-5'-MONOPHOSPHATE, HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN | | Authors: | Brenner, C, Garrison, P, Gilmour, J, Peisach, D, Ringe, D, Petsko, G.A, Lowenstein, J.M. | | Deposit date: | 1997-02-26 | | Release date: | 1997-06-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Crystal structures of HINT demonstrate that histidine triad proteins are GalT-related nucleotide-binding proteins.
Nat.Struct.Biol., 4, 1997
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3PZC
 | | Crystal structure of class II aaRS homologue (Bll0957) complexed with Coenzyme A | | Descriptor: | ACETATE ION, Amino acid--[acyl-carrier-protein] ligase 1, COENZYME A, ... | | Authors: | Weygand-Durasevic, I, Luic, M, Mocibob, M, Ivic, N, Subasic, D. | | Deposit date: | 2010-12-14 | | Release date: | 2011-10-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Substrate Recognition by Novel Family of Amino Acid:[Carrier Protein] Ligases
Croatica Chemica Acta, 84, 2011
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8WUC
 | | Cryo-EM structure of H. thermoluteolus GroEL-GroES2 football complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperonin GroEL, Co-chaperonin GroES, ... | | Authors: | Liao, Z, Gopalasingam, C.C, Kameya, M, Gerle, C, Shigematsu, H, Ishii, M, Arakawa, T, Fushinobu, S. | | Deposit date: | 2023-10-20 | | Release date: | 2024-03-27 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structural insights into thermophilic chaperonin complexes.
Structure, 32, 2024
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4C35
 | | PKA-S6K1 Chimera with compound 1 (NU1085) bound | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... | | Authors: | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | | Deposit date: | 2013-08-21 | | Release date: | 2013-10-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
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8WUX
 | | Cryo-EM structure of H. thermophilus GroEL-GroES bullet complex | | Descriptor: | Chaperonin GroEL, Co-chaperonin GroES, MAGNESIUM ION, ... | | Authors: | Liao, Z, Gopalasingam, C.C, Kameya, M, Gerle, C, Shigematsu, H, Ishii, M, Arakawa, T, Fushinobu, S. | | Deposit date: | 2023-10-21 | | Release date: | 2024-03-27 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural insights into thermophilic chaperonin complexes.
Structure, 32, 2024
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8WU4
 | | Cryo-EM structure of native H. thermoluteolus TH-1 GroEL | | Descriptor: | Chaperonin GroEL | | Authors: | Liao, Z, Gopalasingam, C.C, Kameya, M, Gerle, C, Shigematsu, H, Ishii, M, Arakawa, T, Fushinobu, S. | | Deposit date: | 2023-10-20 | | Release date: | 2024-03-27 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insights into thermophilic chaperonin complexes.
Structure, 32, 2024
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9ASI
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4OKK
 | | Crystal structure of RNase AS from M tuberculosis in complex with UMP | | Descriptor: | 3'-5' exoribonuclease Rv2179c/MT2234.1, MAGNESIUM ION, URIDINE-5'-MONOPHOSPHATE | | Authors: | Romano, M, van de Weerd, R, Brouwer, F.C.C, Roviello, G.N, Lacroix, R, Sparrius, M, van den Brink-van Stempvoort, G, Maaskant, J.J, van der Sar, A.M, Appelmelk, B.J, Geurtsen, J.J, Berisio, R. | | Deposit date: | 2014-01-22 | | Release date: | 2014-05-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structure and Function of RNase AS, a Polyadenylate-Specific Exoribonuclease Affecting Mycobacterial Virulence In Vivo
Structure, 22, 2014
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4OKJ
 | | Crystal structure of RNase AS from M tuberculosis | | Descriptor: | 3'-5' exoribonuclease Rv2179c/MT2234.1, MAGNESIUM ION | | Authors: | Romano, M, van de Weerd, R, Brouwer, F.C.C, Roviello, G.N, Lacroix, R, Sparrius, M, van den Brink-van Stempvoort, G, Maaskant, J.J, van der Sar, A.M, Appelmelk, B.J, Geurtsen, J.J, Berisio, R. | | Deposit date: | 2014-01-22 | | Release date: | 2014-05-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and Function of RNase AS, a Polyadenylate-Specific Exoribonuclease Affecting Mycobacterial Virulence In Vivo
Structure, 22, 2014
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6P6U
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2ZIN
 | | Crystal structure of the catalytic domain of pyrrolysyl-tRNA synthetase in complex with BocLys and an ATP analogue | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N~6~-(tert-butoxycarbonyl)-L-lysine, ... | | Authors: | Yanagisawa, T, Ishii, R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2008-02-19 | | Release date: | 2008-12-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Multistep Engineering of Pyrrolysyl-tRNA Synthetase to Genetically Encode N(varepsilon)-(o-Azidobenzyloxycarbonyl) lysine for Site-Specific Protein Modification
Chem.Biol., 15, 2008
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