6Y40
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![BU of 6y40 by Molmil](/molmil-images/mine/6y40) | 14-3-3 Sigma in complex with phosphorylated PLN peptide | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | Deposit date: | 2020-02-19 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes. Acta Crystallogr.,Sect.F, 76, 2020
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7YLX
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![BU of 7ylx by Molmil](/molmil-images/mine/7ylx) | yeast TRiC-plp2-actin complex at S4 closed TRiC state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | Authors: | Han, W.Y. | Deposit date: | 2022-07-27 | Release date: | 2023-03-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis of plp2-mediated cytoskeletal protein folding by TRiC/CCT. Sci Adv, 9, 2023
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7YLY
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![BU of 7yly by Molmil](/molmil-images/mine/7yly) | yeast TRiC-plp2 complex at S5 closed TRiC state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | Authors: | Han, W.Y. | Deposit date: | 2022-07-27 | Release date: | 2023-03-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Structural basis of plp2-mediated cytoskeletal protein folding by TRiC/CCT. Sci Adv, 9, 2023
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8FGW
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![BU of 8fgw by Molmil](/molmil-images/mine/8fgw) | Human IFT-A complex structures provide molecular insights into ciliary transport | Descriptor: | Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 140 homolog, Intraflagellar transport protein 43 homolog, ... | Authors: | Jiang, M, Palicharla, V.R, Miller, D, Hwang, S.H, Zhu, H, Hixson, P, Mukhopadhyay, S, Sun, J. | Deposit date: | 2022-12-12 | Release date: | 2023-02-22 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Human IFT-A complex structures provide molecular insights into ciliary transport. Cell Res., 33, 2023
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5ILV
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![BU of 5ilv by Molmil](/molmil-images/mine/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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4HHZ
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![BU of 4hhz by Molmil](/molmil-images/mine/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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6YLK
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![BU of 6ylk by Molmil](/molmil-images/mine/6ylk) | Cdk2(F80C) with Covalent Adduct TK22 at F80C | Descriptor: | Cyclin-dependent kinase 2, methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate | Authors: | Craven, G, Morgan, R.M.L, Mann, D.J. | Deposit date: | 2020-04-07 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT). Chembiochem, 21, 2020
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6Y1J
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![BU of 6y1j by Molmil](/molmil-images/mine/6y1j) | |
6Y3V
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![BU of 6y3v by Molmil](/molmil-images/mine/6y3v) | 14-3-3 Sigma in complex with phosphorylated c-Jun peptide | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | Deposit date: | 2020-02-19 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes. Acta Crystallogr.,Sect.F, 76, 2020
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6Y44
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![BU of 6y44 by Molmil](/molmil-images/mine/6y44) | 14-3-3 Sigma in complex with phosphorylated SOS1 peptide | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | Deposit date: | 2020-02-19 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes. Acta Crystallogr.,Sect.F, 76, 2020
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6YQ2
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![BU of 6yq2 by Molmil](/molmil-images/mine/6yq2) | |
6YPY
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![BU of 6ypy by Molmil](/molmil-images/mine/6ypy) | |
6YOW
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![BU of 6yow by Molmil](/molmil-images/mine/6yow) | |
5IEY
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![BU of 5iey by Molmil](/molmil-images/mine/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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6YPL
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![BU of 6ypl by Molmil](/molmil-images/mine/6ypl) | |
2RM0
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![BU of 2rm0 by Molmil](/molmil-images/mine/2rm0) | FBP28WW2 domain in complex with a PPPLIPPPP peptide | Descriptor: | Formin-1, Transcription elongation regulator 1 | Authors: | Ramirez-Espain, X, Ruiz, L, Martin-Malpartida, P, Oschkinat, H, Macias, M.J. | Deposit date: | 2007-09-06 | Release date: | 2007-11-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Characterization of a New Binding Motif and a Novel Binding Mode in Group 2 WW Domains J.Mol.Biol., 373, 2007
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2RLY
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![BU of 2rly by Molmil](/molmil-images/mine/2rly) | FBP28WW2 domain in complex with PTPPPLPP peptide | Descriptor: | Formin-1, Transcription elongation regulator 1 | Authors: | Ramirez-Espain, X, Ruiz, L, Martin-Malpartida, P, Oschkinat, H, Macias, M.J. | Deposit date: | 2007-09-03 | Release date: | 2007-11-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Characterization of a New Binding Motif and a Novel Binding Mode in Group 2 WW Domains J.Mol.Biol., 373, 2007
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7SZ2
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![BU of 7sz2 by Molmil](/molmil-images/mine/7sz2) | Mouse PARP13/ZAP ZnF5-WWE1-WWE2 bound to ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, PHOSPHATE ION, ... | Authors: | Ayanath Kuttiyatveetil, J.R, Pascal, J.M. | Deposit date: | 2021-11-25 | Release date: | 2022-10-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures and functional analysis of the ZnF5-WWE1-WWE2 region of PARP13/ZAP define a distinctive mode of engaging poly(ADP-ribose). Cell Rep, 41, 2022
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8FP5
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![BU of 8fp5 by Molmil](/molmil-images/mine/8fp5) | CDK2 liganded with ATP and Mg2+ | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cyclin-dependent kinase 2, ... | Authors: | Schonbrunn, E, Sun, L. | Deposit date: | 2023-01-04 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding. Nat Commun, 14, 2023
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8FF8
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4I9A
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![BU of 4i9a by Molmil](/molmil-images/mine/4i9a) | Crystal Structure of Sus scrofa Quinolinate Phosphoribosyltransferase in Complex with Nicotinate Mononucleotide | Descriptor: | NICOTINATE MONONUCLEOTIDE, quinolinate phosphoribosyltransferase | Authors: | Youn, H.-S, Kim, M.-K, Kang, K.B, Kim, T.G, Lee, J.-G, An, J.Y, Park, K.R, Lee, Y, Kang, J.Y, Song, H.E, Park, I, Cho, C, Fukuoka, S, Eom, S.H. | Deposit date: | 2012-12-05 | Release date: | 2013-05-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.096 Å) | Cite: | Crystal structure of Sus scrofa quinolinate phosphoribosyltransferase in complex with nicotinate mononucleotide Plos One, 8, 2013
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6YE9
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![BU of 6ye9 by Molmil](/molmil-images/mine/6ye9) | Small-molecule inhibitor of 14-3-3 protein-protein interactions | Descriptor: | 14-3-3 protein sigma, MAGNESIUM ION, [2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid | Authors: | Ottmann, C, Visser, E.J. | Deposit date: | 2020-03-24 | Release date: | 2021-03-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based conversion of a promiscuous inhibitor to a selective stabilizer of protein-protein interactions To Be Published
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7ZL2
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![BU of 7zl2 by Molmil](/molmil-images/mine/7zl2) | Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-039-246-810 | Descriptor: | T-box transcription factor T, UNKNOWN LIGAND | Authors: | Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O. | Deposit date: | 2022-04-13 | Release date: | 2022-06-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-039-246-810 To Be Published
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7ZKF
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![BU of 7zkf by Molmil](/molmil-images/mine/7zkf) | Crystal Structure of human Brachyury G177D variant in complex with CF-5-86 | Descriptor: | PHOSPHATE ION, T-box transcription factor T, UNKNOWN LIGAND | Authors: | Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O. | Deposit date: | 2022-04-12 | Release date: | 2022-06-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Crystal Structure of human Brachyury G177D variant in complex with CF-5-86 To Be Published
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7ZK2
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![BU of 7zk2 by Molmil](/molmil-images/mine/7zk2) | Crystal Structure of human Brachyury G177D variant in complex with CSC027898502 | Descriptor: | N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]ethanamide, PHOSPHATE ION, T-box transcription factor T | Authors: | Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O. | Deposit date: | 2022-04-12 | Release date: | 2022-06-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of human Brachyury G177D variant in complex with CSC027898502 To Be Published
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