2N8A
 
 | | 1H, 13C and 15N chemical shift assignments and solution structure for PARP-1 F1F2 domains in complex with a DNA single-strand break | | Descriptor: | DNA (45-MER), Poly [ADP-ribose] polymerase 1, ZINC ION | | Authors: | Neuhaus, D, Eustermann, S, Yang, J, Wu, W. | | Deposit date: | 2015-10-08 | | Release date: | 2015-12-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural Basis of Detection and Signaling of DNA Single-Strand Breaks by Human PARP-1.
Mol.Cell, 60, 2015
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6NHX
 | | mycobacterial DNA ligase D complexed with ATP and MES | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent DNA ligase | | Authors: | Shuman, S, Unciuleac, M, Goldgur, Y. | | Deposit date: | 2018-12-24 | | Release date: | 2019-02-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structures of ATP-bound DNA ligase D in a closed domain conformation reveal a network of amino acid and metal contacts to the ATP phosphates.
J. Biol. Chem., 294, 2019
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2OWO
 | | Last Stop on the Road to Repair: Structure of E.coli DNA Ligase Bound to Nicked DNA-Adenylate | | Descriptor: | 26-MER, 5'-D(*AP*CP*AP*AP*TP*TP*GP*CP*GP*AP*CP*(OMC)P*C)-3', 5'-D(*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*AP*TP*G)-3', ... | | Authors: | Shuman, S, Nandakumar, J, Nair, P.A. | | Deposit date: | 2007-02-16 | | Release date: | 2007-05-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Last Stop on the Road to Repair: Structure of E. coli DNA Ligase Bound to Nicked DNA-Adenylate.
Mol.Cell, 26, 2007
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6NHZ
 | | mycobacterial DNA ligase D complexed with ATP and Mg | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent DNA ligase, MAGNESIUM ION | | Authors: | Shuman, S, Unciuleac, M, Goldgur, Y. | | Deposit date: | 2018-12-24 | | Release date: | 2019-02-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of ATP-bound DNA ligase D in a closed domain conformation reveal a network of amino acid and metal contacts to the ATP phosphates.
J. Biol. Chem., 294, 2019
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6TZX
 | | Crystal Structure of Fungal RNA Kinase | | Descriptor: | INOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, tRNA ligase | | Authors: | Shuman, S, Goldgur, Y, Banerjee, A. | | Deposit date: | 2019-08-13 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.529 Å) | | Cite: | Atomic structures of the RNA end-healing 5'-OH kinase and 2',3'-cyclic phosphodiesterase domains of fungal tRNA ligase: conformational switches in the kinase upon binding of the GTP phosphate donor.
Nucleic Acids Res., 47, 2019
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6U03
 | | Crystal Structure of Fungal RNA Kinase | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, tRNA ligase | | Authors: | Shuman, S, Goldgur, Y, Banerjee, A. | | Deposit date: | 2019-08-13 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.849 Å) | | Cite: | Atomic structures of the RNA end-healing 5'-OH kinase and 2',3'-cyclic phosphodiesterase domains of fungal tRNA ligase: conformational switches in the kinase upon binding of the GTP phosphate donor.
Nucleic Acids Res., 47, 2019
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6U05
 | | Crystal Structure of Fungal RNA Kinase | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Shuman, S, Goldgur, Y, Banerjee, A. | | Deposit date: | 2019-08-13 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.948 Å) | | Cite: | Atomic structures of the RNA end-healing 5'-OH kinase and 2',3'-cyclic phosphodiesterase domains of fungal tRNA ligase: conformational switches in the kinase upon binding of the GTP phosphate donor.
Nucleic Acids Res., 47, 2019
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6NTD
 | | Crystal Structure of G12V HRas-GppNHp bound in complex with the engineered RBD variant 12 of CRAF Kinase protein | | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Maisonneuve, P, Kurinov, I, Wiechmann, S, Ernst, A, Sicheri, F. | | Deposit date: | 2019-01-28 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Conformation-specific inhibitors of activated Ras GTPases reveal limited Ras dependency of patient-derived cancer organoids.
J.Biol.Chem., 295, 2020
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6NTC
 | | Crystal Structure of G12V HRas-GppNHp bound in complex with the engineered RBD variant 1 of CRAF Kinase protein | | Descriptor: | GLYCEROL, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Maisonneuve, P, Kurinov, I, Wiechmann, S, Ernst, A, Sicheri, F. | | Deposit date: | 2019-01-28 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Conformation-specific inhibitors of activated Ras GTPases reveal limited Ras dependency of patient-derived cancer organoids.
J.Biol.Chem., 295, 2020
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6U00
 | | Crystal Structure of Fungal RNA Kinase | | Descriptor: | PHOSPHATE ION, tRNA ligase | | Authors: | Shuman, S, Goldgur, Y, Banerjee, A. | | Deposit date: | 2019-08-13 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.981 Å) | | Cite: | Atomic structures of the RNA end-healing 5'-OH kinase and 2',3'-cyclic phosphodiesterase domains of fungal tRNA ligase: conformational switches in the kinase upon binding of the GTP phosphate donor.
Nucleic Acids Res., 47, 2019
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7UFV
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766 | | Descriptor: | (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION | | Authors: | Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-03-23 | | Release date: | 2022-05-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Nanomolar DCAF1 Small Molecule Ligands.
J.Med.Chem., 66, 2023
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6TZO
 | | Crystal Structure of Fungal RNA Kinase | | Descriptor: | 2'-DEOXYGUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, tRNA ligase | | Authors: | Shuman, S, Goldgur, Y, Banerjee, A. | | Deposit date: | 2019-08-12 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Atomic structures of the RNA end-healing 5'-OH kinase and 2',3'-cyclic phosphodiesterase domains of fungal tRNA ligase: conformational switches in the kinase upon binding of the GTP phosphate donor.
Nucleic Acids Res., 47, 2019
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6TZM
 | | Crystal Structure of Fungal RNA Kinase | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, tRNA ligase | | Authors: | Shuman, S, Goldgur, Y, Banerjee, A. | | Deposit date: | 2019-08-12 | | Release date: | 2019-11-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.714 Å) | | Cite: | Atomic structures of the RNA end-healing 5'-OH kinase and 2',3'-cyclic phosphodiesterase domains of fungal tRNA ligase: conformational switches in the kinase upon binding of the GTP phosphate donor.
Nucleic Acids Res., 47, 2019
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2QY2
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7N0A
 | | Structure of Human Leukaemia Inhibitory Factor with Fab MSC1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Leukemia inhibitory factor, ... | | Authors: | Raman, S, Bosch, A, Fransson, J, Julien, J.P. | | Deposit date: | 2021-05-25 | | Release date: | 2022-06-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Therapeutic Targeting of LIF Overcomes Macrophage-mediated Immunosuppression of the Local Tumor Microenvironment.
Clin.Cancer Res., 29, 2023
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7T8J
 | | The ubiquitin-associated domain of human thirty-eight negative kinase-1 flexibly fused to the 1TEL crystallization chaperone via a GSGG linker | | Descriptor: | CHLORIDE ION, Transcription factor ETV6,Non-receptor tyrosine-protein kinase TNK1 | | Authors: | Soleimani, S, Pedroza Romo, M.J, Smith, T, Brown, S, Doukov, T, Moody, J.D. | | Deposit date: | 2021-12-16 | | Release date: | 2022-12-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain.
Structure, 31, 2023
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6Q6V
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7TB1
 | | Crystal structure of STUB1 with a macrocyclic peptide | | Descriptor: | 1,3-bis(sulfanyl)propan-2-one, ALA-CYS-SER-SER-ILE-TRP-CYS-PRO-ASP-GLY, E3 ubiquitin-protein ligase CHIP | | Authors: | Bahmanjah, S, Klein, D.J. | | Deposit date: | 2021-12-21 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.785 Å) | | Cite: | Discovery and Structure-Based Design of Macrocyclic Peptides Targeting STUB1.
J.Med.Chem., 2022
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6Q47
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6Q6T
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6Q46
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6Q6U
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4O7U
 | | Etherocomplex of Enteroccocus faecalis thymidylate synthase with 5-hydroxymethilene-6-hydrofolic acid and the phtalimidic inhibitor SS7 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate, 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, ... | | Authors: | Mangani, S, Pozzi, C. | | Deposit date: | 2013-12-26 | | Release date: | 2014-12-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray crystal structures of Enterococcus faecalis thymidylate synthase with folate binding site inhibitors.
Eur.J.Med.Chem., 123, 2016
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3HCM
 | | Crystal structure of human S100B in complex with S45 | | Descriptor: | (3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine, ACETATE ION, CALCIUM ION, ... | | Authors: | Mangani, S, Cesari, L. | | Deposit date: | 2009-05-06 | | Release date: | 2010-02-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fragmenting the S100B-p53 Interaction: Combined Virtual/Biophysical Screening Approaches to Identify Ligands
Chemmedchem, 5, 2010
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4MKN
 | | Crystal structure of chloroplastic triosephosphate isomerase from Chlamydomonas reinhardtii at 1.1 A of resolution | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Triosephosphate isomerase | | Authors: | Fermani, S, Sciabolini, C, Zaffagnini, M, Lemaire, S.D. | | Deposit date: | 2013-09-05 | | Release date: | 2014-01-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | High-Resolution Crystal Structure and Redox Properties of Chloroplastic Triosephosphate Isomerase from Chlamydomonas reinhardtii.
Mol Plant, 7, 2014
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