5LAA
 
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5LBM
 | | The asymmetric tetrameric structure of the formaldehyde sensing transcriptional repressor FrmR from Escherichia coli | | Descriptor: | FORMYL GROUP, Transcriptional repressor FrmR | | Authors: | Bisson, C, Baker, P.J, Green, J, Chivers, P.T. | | Deposit date: | 2016-06-16 | | Release date: | 2016-12-21 | | Last modified: | 2017-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The mechanism of a formaldehyde-sensing transcriptional regulator.
Sci Rep, 6, 2016
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8W5C
 | | Crystal structure of FGFR4 kinase domain in complex with 8K | | Descriptor: | Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide | | Authors: | Zhang, Z.M, Huang, H.S. | | Deposit date: | 2023-08-26 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
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6G47
 | | Crystal Structure of Human Adenovirus 52 Short Fiber Knob in Complex with alpha-(2,8)-Trisialic Acid (DP3) | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Liaci, A.M, Stehle, T. | | Deposit date: | 2018-03-26 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.497 Å) | | Cite: | Polysialic acid is a cellular receptor for human adenovirus 52.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5L3F
 | | LSD1-CoREST1 in complex with polymyxin B | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, Polmyxin B, ... | | Authors: | Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A. | | Deposit date: | 2016-04-10 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
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6BH0
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (R)-2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N51) | | Descriptor: | 2-{(R)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, Lysine-specific demethylase 5A, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.985 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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8WLU
 | | Cryo-EM structure of bat RsSHC014 spike glycoprotein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, ... | | Authors: | Wang, X, Qiao, S. | | Deposit date: | 2023-10-01 | | Release date: | 2024-07-17 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Structural determinants of spike infectivity in bat SARS-like coronaviruses RsSHC014 and WIV1.
J.Virol., 2024
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5L79
 | | Crystal structure of MMP12 in complex with RXP470.1 conjugated with fluorophore Cy5,5 in space group P21212. | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CY5.5-PEG2, ... | | Authors: | Tepshi, L, Bordenave, T, Devel, L, Dive, V, Stura, E.A. | | Deposit date: | 2016-06-02 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Synthesis and in Vitro and in Vivo Evaluation of MMP-12 Selective Optical Probes.
Bioconjug.Chem., 27, 2016
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5J1H
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8BVB
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5J1P
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6GFU
 | | Crystal structure of an ancient sequence-reconstructed Elongation Factor Tu (node 262) | | Descriptor: | Elongation Factor Tu, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Majumdar, S, Tarafder, A.D, Ge, X, Kacar, B, Sanyal, S. | | Deposit date: | 2018-05-02 | | Release date: | 2019-05-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of an ancient sequence-reconstructed Elongation Factor Tu (node 262)
To Be Published
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6BGV
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N40) | | Descriptor: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.592 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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5J37
 | | Crystal structure of 60-mer BFDV Capsid Protein in complex with single stranded DNA | | Descriptor: | Beak and feather disease virus capsid protein, PHOSPHATE ION, single stranded DNA | | Authors: | Sarker, S, Raidal, S, Aragao, D, Forwood, J.K. | | Deposit date: | 2016-03-30 | | Release date: | 2016-05-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insights into the assembly and regulation of distinct viral capsid complexes.
Nat Commun, 7, 2016
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6QQC
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6BH5
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(3-(piperidin-1-yl)propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N48) | | Descriptor: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.651 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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6BTX
 | | Structure of a bacterial metal transporter | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, NICKEL (II) ION, ... | | Authors: | Jormakka, M, Deshpande, C.N. | | Deposit date: | 2017-12-08 | | Release date: | 2018-09-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Calcium is an essential cofactor for metal efflux by the ferroportin transporter family.
Nat Commun, 9, 2018
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5J1I
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8BRC
 | | Crystal structure of the adduct between human serum transferrin and cisplatin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIA, FE (III) ION, ... | | Authors: | Troisi, R, Galardo, F, Ferraro, G, Sica, F, Merlino, A. | | Deposit date: | 2022-11-22 | | Release date: | 2023-01-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | Cisplatin Binding to Human Serum Transferrin: A Crystallographic Study.
Inorg.Chem., 62, 2023
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6GON
 | | Crystal Structure Of Sea Bream Transthyretin in complex with Perfluorooctanoic acid (PFOA). Crystallized in PEG | | Descriptor: | Transthyretin, pentadecafluorooctanoic acid | | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | | Deposit date: | 2018-06-01 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
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8BA4
 | | Crystal structure of JAK2 JH2-V617F in complex with Bemcentinib | | Descriptor: | 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2 | | Authors: | Haikarainen, T, Silvennoinen, O. | | Deposit date: | 2022-10-11 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
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8BA3
 | | Crystal structure of JAK2 JH2 in complex with Bemcentinib | | Descriptor: | 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Haikarainen, T, Silvennoinen, O. | | Deposit date: | 2022-10-11 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
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8W9J
 | | Crystal structure of human CLEC12A ectodomain complexed with 50C1 Fab | | Descriptor: | Anti-human CLEC12A antibody 50C1 heavy chain, Anti-human CLEC12A antibody 50C1 light chain, C-type lectin domain family 12 member A | | Authors: | Mori, S, Nagae, M, Yamasaki, S. | | Deposit date: | 2023-09-05 | | Release date: | 2024-03-06 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Crystal structure of the complex of CLEC12A and an antibody that interferes with binding of diverse ligands.
Int.Immunol., 36, 2024
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8B99
 | | Crystal structure of JAK2 JH2-V617F in complex with JNJ-7706621 | | Descriptor: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Haikarainen, T, Silvennoinen, O. | | Deposit date: | 2022-10-05 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
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6GH0
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