6ACA
| Crystal structure of Mycobacterium tuberculosis Mfd at 3.6 A resolution | Descriptor: | Mycobacterium tuberculosis Mfd | Authors: | Putta, S, Fox, G.C, Walsh, M.A, Rao, D.N, Nagaraja, V, Natesh, R. | Deposit date: | 2018-07-26 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural basis for nucleotide-mediated remodelling mechanism of Mycobacterium Mfd To Be Published
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3TJ3
| Structure of importin a5 bound to the N-terminus of Nup50 | Descriptor: | Importin subunit alpha-1, Nuclear pore complex protein Nup50 | Authors: | Pumroy, R, Nardozzi, J.D, Hart, D.J, Root, M.J, Cingolani, G. | Deposit date: | 2011-08-23 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.702 Å) | Cite: | Nucleoporin Nup50 stabilizes closed conformation of armadillo repeat 10 in importin alpha 5. J.Biol.Chem., 287, 2012
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4HHZ
| Crystal structure of PARP catalytic domain in complex with novel inhibitors | Descriptor: | N-{(2S)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-1-oxopropan-2-yl}-2-[(9aR)-7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[de][1,7]naphthyridin-1-yl]acetamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Liu, Q.F, Chen, T.T, Xu, Y.C. | Deposit date: | 2012-10-10 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7199 Å) | Cite: | Design, Synthesis, and Biological Evaluation of a Series of Benzo[de][1,7]naphthyridin-7(8H)-ones Bearing a Functionalized Longer Chain Appendage as Novel PARP1 Inhibitors. J.Med.Chem., 56, 2013
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5IF1
| Crystal structure apo CDK2/cyclin A | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M. | Deposit date: | 2016-02-25 | Release date: | 2016-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9. Acs Chem.Biol., 11, 2016
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5IFR
| Structure of the stable UBE2D3-UbDha conjugate | Descriptor: | GLYCEROL, Polyubiquitin-B, Ubiquitin-conjugating enzyme E2 D3 | Authors: | Pruneda, J.N, Mulder, M.P.C, Witting, K, Ovaa, H, Komander, D. | Deposit date: | 2016-02-26 | Release date: | 2016-05-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A cascading activity-based probe sequentially targets E1-E2-E3 ubiquitin enzymes. Nat.Chem.Biol., 12, 2016
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5ILS
| Autoinhibited ETV1 | Descriptor: | ETS translocation variant 1 | Authors: | Whitby, F.G, Currie, S.L. | Deposit date: | 2016-03-04 | Release date: | 2017-02-22 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.399 Å) | Cite: | Structured and disordered regions cooperatively mediate DNA-binding autoinhibition of ETS factors ETV1, ETV4 and ETV5. Nucleic Acids Res., 45, 2017
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2QXF
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5ILV
| Uninhibited ETV5 | Descriptor: | ETS translocation variant 5 | Authors: | Whitby, F.G, Currie, S.L. | Deposit date: | 2016-03-04 | Release date: | 2017-02-22 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structured and disordered regions cooperatively mediate DNA-binding autoinhibition of ETS factors ETV1, ETV4 and ETV5. Nucleic Acids Res., 45, 2017
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7LRK
| Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-093 | Descriptor: | 1,2-ETHANEDIOL, 4-chloranyl-2-methyl-5-[[(3~{S})-pyrrolidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF | Authors: | Chan, A, Schonbrunn, E. | Deposit date: | 2021-02-16 | Release date: | 2022-08-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
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7LP0
| Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-077 | Descriptor: | 1,2-ETHANEDIOL, 4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one, DIMETHYL SULFOXIDE, ... | Authors: | Chan, A, Schonbrunn, E. | Deposit date: | 2021-02-11 | Release date: | 2022-08-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
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7LRO
| Crystal structure of BPTF bromodomain in complex with inhibitor HZ-01-105 | Descriptor: | 1,2-ETHANEDIOL, 5-(azetidin-3-ylamino)-4-chloranyl-2-methyl-pyridazin-3-one, DIMETHYL SULFOXIDE, ... | Authors: | Chan, A, Schonbrunn, E. | Deposit date: | 2021-02-17 | Release date: | 2022-08-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
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7LPK
| Crystal structure of BPTF bromodomain in complex with inhibitor HZ-03-112 | Descriptor: | 1,2-ETHANEDIOL, 4-chloranyl-2-methyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF | Authors: | Chan, A, Schonbrunn, E. | Deposit date: | 2021-02-12 | Release date: | 2022-08-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
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5IEY
| Crystal structure of a CDK inhibitor bound to CDK2 | Descriptor: | 4-[(4-{[(2R,3R)-3-hydroxybutan-2-yl]amino}pyrimidin-2-yl)amino]benzene-1-sulfonamide, Cyclin-dependent kinase 2 | Authors: | Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M. | Deposit date: | 2016-02-25 | Release date: | 2016-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9. Acs Chem.Biol., 11, 2016
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7M2F
| CDK2 with compound 14 inhibitor with carboxylate | Descriptor: | Cyclin-dependent kinase 2, [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid | Authors: | Longenecker, K.L, Qiu, W, Korepanova, A, Tong, Y. | Deposit date: | 2021-03-16 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.632 Å) | Cite: | Balancing Properties with Carboxylates: A Lead Optimization Campaign for Selective and Orally Active CDK9 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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5J9U
| Crystal structure of the NuA4 core complex | Descriptor: | Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, Enhancer of polycomb-like protein 1, ... | Authors: | Chen, Z.C, Xu, P. | Deposit date: | 2016-04-11 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism Mol.Cell, 63, 2016
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6ANU
| Cryo-EM structure of F-actin complexed with the beta-III-spectrin actin-binding domain | Descriptor: | Actin, cytoplasmic 1, Spectrin beta chain, ... | Authors: | Wang, F, Orlova, A, Avery, A.W, Hays, T.S, Egelman, E.H. | Deposit date: | 2017-08-14 | Release date: | 2017-11-22 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Structural basis for high-affinity actin binding revealed by a beta-III-spectrin SCA5 missense mutation. Nat Commun, 8, 2017
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7M2E
| Crystal structure of BPTF bromodomain in complex with CB02-092 | Descriptor: | 4-chloro-5-{4-[2-(dimethylamino)ethyl]anilino}-2-methylpyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF | Authors: | Nithianantham, S, Fischer, M. | Deposit date: | 2021-03-16 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition J.Med.Chem., 64, 2021
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5JI5
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7MK2
| CryoEM Structure of NPR1 | Descriptor: | Regulatory protein NPR1, ZINC ION | Authors: | Kumar, S, Zhou, Y, Dillard, L, Borgnia, M, Bartesaghi, A, Zhou, P. | Deposit date: | 2021-04-21 | Release date: | 2022-03-16 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis of NPR1 in activating plant immunity. Nature, 605, 2022
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5JLX
| AntpHD with 15bp DNA duplex S-monothioated at Cytidine-8 | Descriptor: | DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C7S)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), Homeotic protein antennapedia, ... | Authors: | White, M.A, Zandarashvili, L, Iwahara, J, Nguyen, D. | Deposit date: | 2016-04-27 | Release date: | 2016-06-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.748 Å) | Cite: | Stereospecific Effects of Oxygen-to-Sulfur Substitution in DNA Phosphate on Ion Pair Dynamics and Protein-DNA Affinity. Chembiochem, 17, 2016
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5JLT
| The crystal structure of the bacteriophage T4 MotA C-terminal domain in complex with dsDNA reveals a novel protein-DNA recognition motif | Descriptor: | DNA (5'-D(*GP*AP*AP*GP*CP*TP*TP*TP*GP*CP*TP*TP*AP*AP*TP*AP*AP*TP*CP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*GP*AP*TP*TP*AP*TP*TP*AP*AP*GP*CP*AP*AP*AP*GP*CP*TP*TP*C)-3'), Middle transcription regulatory protein motA | Authors: | Cuypers, M.G, Robertson, R.M, Knipling, L, Hinton, D.M, White, S.W. | Deposit date: | 2016-04-27 | Release date: | 2017-05-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.955 Å) | Cite: | The phage T4 MotA transcription factor contains a novel DNA binding motif that specifically recognizes modified DNA. Nucleic Acids Res., 46, 2018
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5KC2
| Negative stain structure of Vps15/Vps34 complex | Descriptor: | Phosphatidylinositol 3-kinase VPS34, Serine/threonine-protein kinase VPS15 | Authors: | Kirsten, M.L, Zhang, L, Ohashi, Y, Perisic, O, Williams, R.L, Sachse, C. | Deposit date: | 2016-06-04 | Release date: | 2016-10-05 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (28 Å) | Cite: | Characterization of Atg38 and NRBF2, a fifth subunit of the autophagic Vps34/PIK3C3 complex. Autophagy, 12, 2016
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6ATH
| Cdk2/cyclin A/p27-KID-deltaC | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2017-08-29 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Dynamic anticipation by Cdk2/Cyclin A-bound p27 mediates signal integration in cell cycle regulation. Nat Commun, 10, 2019
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6AVS
| Complex structure of JMJD5 and Symmetric Monomethyl-Arginine (MMA) | Descriptor: | (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, Lysine-specific demethylase 8, ZINC ION | Authors: | Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G. | Deposit date: | 2017-09-04 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7. Sci Rep, 8, 2018
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6ATB
| Crystal Structure of human NAMPT in complex with NVP-LOD812 | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-N'-[(pyridin-3-yl)methyl]urea, ... | Authors: | Weihofen, W.A, Thigale, S. | Deposit date: | 2017-08-28 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors To Be Published
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