7QOS
 
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8A23
 | | Crystal structure of SARS-CoV-2 nsp10/nsp16 methyltransferase in complex with TO383 | | Descriptor: | (2R,3R,4S,5R)-2-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol, 2'-O-methyltransferase nsp16, GLYCEROL, ... | | Authors: | Hanigovsky, M, Krafcikova, P, Klima, M, Boura, E. | | Deposit date: | 2022-06-02 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of SARS-CoV-2 nsp10/nsp16 methyltransferase in
complex with TO383
To Be Published
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6NYE
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5IG3
 | | Crystal structure of the human CaMKII-alpha hub | | Descriptor: | Calcium/calmodulin-dependent protein kinase type II subunit alpha | | Authors: | McSpadden, E, Cao, Y.M, Bhattacharyya, M, Gee, C.L, Barros, T, Kuriyan, J. | | Deposit date: | 2016-02-26 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Molecular mechanism of activation-triggered subunit exchange in Ca(2+)/calmodulin-dependent protein kinase II.
Elife, 5, 2016
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6YJ2
 | | Structural and DNA binding studies of the transcriptional repressor Rv2506 (BkaR) from Mycobacterium tuberculosis supports a role in L-Leucine catabolism | | Descriptor: | GLYCEROL, Probable transcriptional regulatory protein (Probably TetR-family) | | Authors: | Keep, N.H, Pritchard, J.E, Sula, A, Cole, A.R, Kendall, S.L. | | Deposit date: | 2020-04-02 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and DNA binding studies of the transcriptional repressor Rv2506 (BkaR) from Mycobacterium tuberculosis supports a role in L-Leucine catabolism
To be published
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6NVT
 | | Crystal structure of TLA-1 extended spectrum Beta-lactamase | | Descriptor: | ACETATE ION, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Rudino-Pinera, E, Cifuentes-Castro, V.H, Rodriguez-Almazan, C. | | Deposit date: | 2019-02-05 | | Release date: | 2019-12-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of ESBL TLA-1 in complex with clavulanic acid reveals a second acylation site.
Biochem.Biophys.Res.Commun., 522, 2020
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8SWF
 | | Cryo-EM structure of NLRP3 open octamer | | Descriptor: | NACHT, LRR and PYD domains-containing protein 3 | | Authors: | Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S. | | Deposit date: | 2023-05-18 | | Release date: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Cryo-EM structures of NLRP3 reveal its self-activation mechanism
Nat Commun, 2024
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6O0O
 | | crystal structure of BCL-2 G101V mutation with S55746 | | Descriptor: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide | | Authors: | Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2019-02-17 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations.
Nat Commun, 10, 2019
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8A4R
 | | Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii from isotropic orthorhombic data at 3.59 A | | Descriptor: | PYRROLE-2-CARBOXYLATE, Proline racemase A (AsProR) | | Authors: | Najmudin, S, Pan, X.-S, McAuley, K.E, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | Structural and Functional analysis of the Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii
To Be Published
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5IHJ
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8TBL
 | | Tricomplex of RMC-7977, KRAS G12D, and CypA | | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | | Deposit date: | 2023-06-28 | | Release date: | 2024-02-07 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
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8TBM
 | | Tricomplex of RMC-7977, KRAS G12V, and CypA | | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GLYCEROL, GTPase KRas, ... | | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | | Deposit date: | 2023-06-28 | | Release date: | 2024-02-07 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
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8TBN
 | | Tricomplex of RMC-7977, KRAS G12S, and CypA | | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | | Deposit date: | 2023-06-28 | | Release date: | 2024-02-07 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
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6O08
 | | Gluconobacter Ene-Reductase (GluER) | | Descriptor: | ACETATE ION, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Garfinkle, S.E, Jeffrey, P, Hyster, T.K. | | Deposit date: | 2019-02-15 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Photoexcitation of flavoenzymes enables a stereoselective radical cyclization.
Science, 364, 2019
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7Q5I
 | | A glucose-based molecular rotor probes the catalytic site of glycogen phosphorylase. | | Descriptor: | 2-cyano-3-[4-(dimethylamino)phenyl]-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]propanamide, BETA-MERCAPTOETHANOL, CARBONATE ION, ... | | Authors: | Neofytos, D.D, Chrysina, E.D. | | Deposit date: | 2021-11-03 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A glucose-based molecular rotor inhibitor of glycogen phosphorylase as a probe of cellular enzymatic function.
Org.Biomol.Chem., 20, 2022
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6NXM
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6NXV
 | | Crystal structure of the theta class glutathione S-transferase from the citrus canker pathogen Xanthomonas axonopodis pv. citri, apo form | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Glutathione S-transferase | | Authors: | Hilario, E, De Keyser, S, Fan, L. | | Deposit date: | 2019-02-10 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural and biochemical characterization of a glutathione transferase from the citrus canker pathogen Xanthomonas.
Acta Crystallogr D Struct Biol, 76, 2020
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5IPF
 | | Crystal structure of Hypoxanthine-guanine phosphoribosyltransferase from Schistosoma mansoni in complex with IMP | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase (HGPRT), INOSINIC ACID | | Authors: | Romanello, L, Torini, J.R.S, Bird, L.E, Nettleship, J.E, Owens, R.J, DeMarco, R, Pereira, H.M, Brandao-Neto, J. | | Deposit date: | 2016-03-09 | | Release date: | 2017-03-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | In vitro and in vivo characterization of the multiple isoforms of Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferases.
Mol. Biochem. Parasitol., 229, 2019
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7ZVE
 | | K403 acetylated glucose-6-phosphate dehydrogenase (G6PD) | | Descriptor: | COPPER (II) ION, GLYCEROL, Glucose-6-phosphate 1-dehydrogenase | | Authors: | Wu, F, Muskat, N.H, Shahar, A, Arbely, E. | | Deposit date: | 2022-05-15 | | Release date: | 2023-08-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Acetylation-dependent coupling between G6PD activity and apoptotic signaling.
Nat Commun, 14, 2023
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7ZTN
 | | Crystal structure of fungal CE16 acetyl xylan esterase | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Dimarogona, M, Kosinas, C, Pentari, C, Zerva, A, Topakas, E. | | Deposit date: | 2022-05-10 | | Release date: | 2023-08-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The role of CE16 exo-deacetylases in hemicellulolytic enzyme mixtures revealed by the biochemical and structural study of the novel TtCE16B esterase.
Carbohydr Polym, 327, 2024
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8A0S
 | | MTH1 in complex with TH013350 | | Descriptor: | 4-[(2-chlorophenyl)methylsulfanyl]-5~{H}-pyrimidin-2-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | Authors: | Liu, H, Scaletti, E, Stenmark, P. | | Deposit date: | 2022-05-30 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | MTH1 in complex with TH013350
To Be Published
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7ZG3
 | | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011228 | | Descriptor: | N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-[(1~{S})-1,2,2-trimethylcyclopropyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide | | Authors: | Davies, J.R, Scaletti, E, Stenmark, P. | | Deposit date: | 2022-04-01 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011228
To Be Published
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5IRQ
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8A34
 | | MTH1 in complex with TH013071 | | Descriptor: | 5-(2-phenylphenyl)-1H-pyrimidine-2,4-dione, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | | Authors: | Liu, H, Scaletti, E, Stenmark, P. | | Deposit date: | 2022-06-07 | | Release date: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | MTH1 in complex with TH013071
To Be Published
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8A07
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