7Q6B
| mRubyFT/S148I, a mutant of blue-to-red fluorescent timer in its blue state | Descriptor: | mRubyFT S148I, a mutant of blue-to-red fluorescent timer | Authors: | Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Dorovatovskii, P.V, Khrenova, M.G, Subach, O.M, Popov, V.O, Subach, F.M. | Deposit date: | 2021-11-06 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Combined Structural and Computational Study of the mRubyFT Fluorescent Timer Locked in Its Blue Form. Int J Mol Sci, 24, 2023
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6D89
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5VV6
| Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-(((4-(Dimethylamino)phenethyl)amino)methyl)quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-05-19 | Release date: | 2017-08-16 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
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6QOF
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 9 (Adenine) | Descriptor: | 1,2-ETHANEDIOL, ADENINE, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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5VYH
| Crystal Structure of MERS-CoV S1 N-terminal Domain | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, ... | Authors: | Wang, N, Wrapp, D, Pallesen, J, Ward, A.B, McLellan, J.S. | Deposit date: | 2017-05-25 | Release date: | 2017-08-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8TCT
| Structure of 3K-GlcH bound Bacteroides thetaiotaomicron 3-Keto-beta-glucopyranoside-1,2-Lyase BT1 | Descriptor: | 1,5-anhydro-D-ribo-hex-3-ulose, COBALT (II) ION, PHOSPHATE ION, ... | Authors: | Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J. | Deposit date: | 2023-07-02 | Release date: | 2024-06-12 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | An alternative broad-specificity pathway for glycan breakdown in bacteria. Nature, 631, 2024
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6QOC
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 6 (2-(1,3-oxazol-5-yl) aniline) | Descriptor: | 2-(1,3-oxazol-5-yl)aniline, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-03-04 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6HB3
| Structure of Hgh1, crystal form II | Descriptor: | Protein HGH1 | Authors: | Moenkemeyer, L, Klaips, C.L, Balchin, D, Koerner, R, Hartl, F.U, Bracher, A. | Deposit date: | 2018-08-09 | Release date: | 2019-02-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Chaperone Function of Hgh1 in the Biogenesis of Eukaryotic Elongation Factor 2. Mol.Cell, 74, 2019
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8TDE
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6DEI
| Structure of Dse3-Csm1 complex | Descriptor: | ACETATE ION, Monopolin complex subunit CSM1, Protein DSE3, ... | Authors: | Singh, N, Corbett, K.D. | Deposit date: | 2018-05-12 | Release date: | 2018-10-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | The budding-yeast RWD protein Csm1 scaffolds diverse protein complexes through a conserved structural mechanism. Protein Sci., 27, 2018
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8BIO
| Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MRAL5 | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2 | Authors: | Zhubi, R, Rak, M, Lucic, A, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-02 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily. Eur.J.Med.Chem., 254, 2023
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6QOK
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 14 (Methyl 2-aminopyridine-4-carboxylate) | Descriptor: | SULFATE ION, methyl 2-azanylpyridine-4-carboxylate, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6G78
| RSK4 N-terminal Kinase Domain S232E in complex with AMP-PNP | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6 | Authors: | Prischi, F, Ali, M.M. | Deposit date: | 2018-04-04 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer. Sci Transl Med, 13, 2021
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7LAW
| crystal structure of GITR complex with GITR-L | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18 | Authors: | Longenecker, K.L, Rogers, B, Bigelow, L, Judge, R.A, Alvarez, H. | Deposit date: | 2021-01-07 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.752 Å) | Cite: | An anti-PD-1-GITR-L bispecific agonist induces GITR clustering-mediated T cell activation for cancer immunotherapy. Nat Cancer, 3, 2022
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5HIS
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8TDA
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6QOM
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 16 (2-Amino-3-nitropyridine) | Descriptor: | 3-nitropyridin-2-amine, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6G0Y
| X-ray structure of M-21 protein complex | Descriptor: | Matrix M2-1, Phosphoprotein, ZINC ION | Authors: | Edwards, T.A, Barr, J. | Deposit date: | 2018-03-20 | Release date: | 2018-11-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | The Structure of the Human Respiratory Syncytial Virus M2-1 Protein Bound to the Interaction Domain of the Phosphoprotein P Defines the Orientation of the Complex. Mbio, 9, 2018
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7QNR
| SMYD3 in complex with fragment FL01791 | Descriptor: | 3-propan-2-yl-1,2,4-thiadiazol-5-amine, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | Deposit date: | 2021-12-22 | Release date: | 2023-04-05 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
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6D96
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6QOS
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 22 (Ethyl 1H-pyrazole-4-carboxylate) | Descriptor: | SULFATE ION, ethyl 1~{H}-pyrazole-4-carboxylate, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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5VWG
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6ZK0
| 1.47A human IMPase with ebselen | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Inositol monophosphatase 1, ... | Authors: | Bax, B.D, Fenn, G.D. | Deposit date: | 2020-06-29 | Release date: | 2020-09-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystallization and structure of ebselen bound to Cys141 of human inositol monophosphatase. Acta Crystallogr.,Sect.F, 76, 2020
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6QOT
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 23 (3-Amino-5-(4-methoxyphenyl)pyrazole) | Descriptor: | 1,2-ETHANEDIOL, 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6ZJE
| Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor Ap5A | Descriptor: | BIS(ADENOSINE)-5'-PENTAPHOSPHATE, CHLORIDE ION, GTP:AMP phosphotransferase AK3, ... | Authors: | Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2020-06-28 | Release date: | 2020-09-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structural Basis for GTP versus ATP Selectivity in the NMP Kinase AK3. Biochemistry, 59, 2020
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