5K1X
 
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7OMX
 | | Thermus sp. 2.9 DarT in complex with carba-NAD+ | | Descriptor: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, DarT domain-containing protein, THIOCYANATE ION | | Authors: | Schuller, M, Ariza, A. | | Deposit date: | 2021-05-24 | | Release date: | 2021-06-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
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7OQZ
 | | Cryo-EM structure of human TMEM45A | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Transmembrane protein 45A | | Authors: | Grieben, M, Pike, A.C.W, Evans, A, Shrestha, L, Venkaya, S, Mukhopadhyay, S.M.M, Moreira, T, Chalk, R, MacLean, E.M, Marsden, B.D, Burgess-Brown, N.A, Bountra, C, Carpenter, E.P. | | Deposit date: | 2021-06-04 | | Release date: | 2021-06-16 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | CryoEM structure of human TMEM45A
To Be Published
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7OMV
 | | Thermus sp. 2.9 DarT | | Descriptor: | CHLORIDE ION, DarT domain-containing protein, THIOCYANATE ION | | Authors: | Schuller, M, Ariza, A. | | Deposit date: | 2021-05-24 | | Release date: | 2021-06-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
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7ON0
 | | Thermus sp. 2.9 DarT in complex with ADP-ribosylated ssDNA | | Descriptor: | DNA (5'-D(*AP*TP*GP*TP*C)-3'), DarT domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Schuller, M, Ariza, A. | | Deposit date: | 2021-05-24 | | Release date: | 2021-06-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
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7OMY
 | | Thermus sp. 2.9 DarT in complex with carba-NAD+ and ssDNA | | Descriptor: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, DNA (5'-D(*AP*TP*GP*TP*C)-3'), DarT domain-containing protein, ... | | Authors: | Schuller, M, Ariza, A. | | Deposit date: | 2021-05-24 | | Release date: | 2021-06-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
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7OMW
 | | Thermus sp. 2.9 DarT in complex with NAD+ | | Descriptor: | DarT domain-containing protein, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Schuller, M, Ariza, A. | | Deposit date: | 2021-05-24 | | Release date: | 2021-06-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
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4RD6
 | | Structure of aIF2-gamma from Sulfolobus solfataricus bound to GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Translation initiation factor 2 subunit gamma | | Authors: | Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E. | | Deposit date: | 2014-09-18 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.944 Å) | | Cite: | Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
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7OMU
 | | Thermosipho africanus DarTG in complex with ADP-ribose | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Macro domain-containing protein | | Authors: | Ariza, A. | | Deposit date: | 2021-05-24 | | Release date: | 2021-06-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
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7OMZ
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4RCZ
 | | Structure of aIF2-gamma D19A variant from Sulfolobus solfataricus bound to GDPNP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E. | | Deposit date: | 2014-09-18 | | Release date: | 2015-05-27 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.429 Å) | | Cite: | Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
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5K5K
 | | Crystal structure of laccasse from Thermus thermophilus HB27 (ascorbic acid 10 min) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase | | Authors: | Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E. | | Deposit date: | 2016-05-23 | | Release date: | 2017-06-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.796 Å) | | Cite: | Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase
To be Published
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7OW0
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7P31
 | | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023818 | | Descriptor: | 4-IODOPYRAZOLE, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... | | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | Deposit date: | 2021-07-06 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with small molecule ligands
To Be Published
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7OXS
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4QR6
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4QSE
 | | Crystal structure of ATU4361 sugar transporter from Agrobacterium Fabrum c58, target efi-510558, with bound glycerol | | Descriptor: | ABC-TYPE SUGAR TRANSPORTER, GLYCEROL | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, K.L, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-07-03 | | Release date: | 2014-08-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Crystal structure of maltoside transporter ATU4361 from
Agrobacterium Fabrum, target EFI-510558
To be Published
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4QTA
 | | Structure of human ERK2 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket | | Descriptor: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, ... | | Authors: | Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-07-07 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nat.Chem.Biol., 10, 2014
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7P35
 | | Structure of the SARS-CoV-2 3CL protease in complex with rupintrivir | | Descriptor: | 3C-like proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | | Authors: | Fabrega-Ferrer, M, Perez-Saavedra, J, Herrera-Morande, A, Coll, M. | | Deposit date: | 2021-07-07 | | Release date: | 2021-07-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.256 Å) | | Cite: | Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404.
Antiviral Res., 208, 2022
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7ORF
 | | Crystal structure of JNK3 in complex with FMU-001-367 (compound 1) | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 10, ... | | Authors: | Chaikuad, A, Koch, P, Laufer, S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-06-05 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Controlling the Covalent Reactivity of a Kinase Inhibitor with Light.
Angew.Chem.Int.Ed.Engl., 60, 2021
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4QUP
 | | Crystal structure of stachydrine demethylase with N-methyl proline from low X-ray dose composite datasets | | Descriptor: | 1-methyl-L-proline, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COBALT HEXAMMINE(III), ... | | Authors: | Agarwal, R, Andi, B, Gizzi, A, Bonanno, J.B, Almo, S.C, Orville, A.M. | | Deposit date: | 2014-07-11 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Tracking photoelectron induced in-crystallo enzyme catalysis
To be Published
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7OPG
 | | Crystal structure of CLK1 in complex with compound 2 (CC513) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol, Dual specificity protein kinase CLK1, ... | | Authors: | Chaikuad, A, Routier, S, Bonnet, P, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-05-31 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structure of CLK1 in complex with compound 2 (CC513)
To Be Published
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5JVK
 | | Structural insights into a family 39 glycoside hydrolase from the gut symbiont Bacteroides cellulosilyticus WH2. | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, SULFATE ION, ... | | Authors: | Ali-Ahmad, A, Garron, M.L, Zamboni, V, Lenfant, N, Bourne, Y, Vincent, F. | | Deposit date: | 2016-05-11 | | Release date: | 2016-12-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into a family 39 glycoside hydrolase from the gut symbiont Bacteroides cellulosilyticus WH2.
J. Struct. Biol., 197, 2017
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7OPS
 | | Crystal structure of haspin in complex with ZW282 (compound 2a) | | Descriptor: | 2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazoline, GLYCEROL, Serine/threonine-protein kinase haspin | | Authors: | Chaikuad, A, Anizon, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-06-01 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Synthesis and biological evaluation of Haspin inhibitors: Kinase inhibitory potency and cellular activity.
Eur.J.Med.Chem., 236, 2022
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5JVO
 | | Crystal structure of the Arginine Repressor from the pathogenic bacterium Corynebacterium pseudotuberculosis | | Descriptor: | Arginine repressor, SULFATE ION, TYROSINE | | Authors: | Mariutti, R.B, Ullah, A, Murakami, M.T, Arni, R.K. | | Deposit date: | 2016-05-11 | | Release date: | 2016-08-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Tyrosine binding and promiscuity in the arginine repressor from the pathogenic bacterium Corynebacterium pseudotuberculosis.
Biochem.Biophys.Res.Commun., 475, 2016
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