6C48
| Crystal structure of B-Myb-LIN9-LIN52 complex | Descriptor: | Myb-related protein B, Protein lin-52 homolog, Protein lin-9 homolog, ... | Authors: | Guiley, K.Z, Tripathi, S.M, Rubin, S.M. | Deposit date: | 2018-01-11 | Release date: | 2018-09-19 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural mechanism of Myb-MuvB assembly. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6P8G
| Crystal structure of CDK4 in complex with CyclinD1 and P27 | Descriptor: | Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1 | Authors: | Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M. | Deposit date: | 2019-06-07 | Release date: | 2019-12-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition. Science, 366, 2019
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6P8F
| Crystal structure of CDK4 in complex with CyclinD1 and P27 | Descriptor: | Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1 | Authors: | Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M. | Deposit date: | 2019-06-07 | Release date: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition. Science, 366, 2019
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6P8E
| Crystal structure of CDK4 in complex with CyclinD1 and P27 | Descriptor: | Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1, ... | Authors: | Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M. | Deposit date: | 2019-06-07 | Release date: | 2019-12-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition. Science, 366, 2019
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6P8H
| Crystal structure of CDK4 in complex with CyclinD1 and P21 | Descriptor: | Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1, G1/S-specific cyclin-D1 | Authors: | Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M. | Deposit date: | 2019-06-07 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition. Science, 366, 2019
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4YOS
| p107 pocket domain complexed with LIN52 peptide | Descriptor: | 1,2-ETHANEDIOL, Protein lin-52 homolog, Retinoblastoma-like protein 1,Retinoblastoma-like protein 1, ... | Authors: | Guiley, K.Z, Liban, T.J, Felthousen, J.G, Ramanan, P, Tripathi, S, Litovchick, L, Rubin, S.M. | Deposit date: | 2015-03-12 | Release date: | 2015-05-27 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural mechanisms of DREAM complex assembly and regulation. Genes Dev., 29, 2015
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4YOO
| p107 pocket domain in complex with LIN52 P29A peptide | Descriptor: | LIN52 peptide, Retinoblastoma-like protein 1,Retinoblastoma-like protein 1, SULFATE ION | Authors: | Guiley, K.Z, Liban, T.J, Felthousen, J.G, Ramanan, P, Tripathi, S, Litovchick, L, Rubin, S.M. | Deposit date: | 2015-03-12 | Release date: | 2015-05-13 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural mechanisms of DREAM complex assembly and regulation. Genes Dev., 29, 2015
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8DC6
| Crystal structure of p53 Y220C covalently bound to indole KG6 | Descriptor: | 1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form, Cellular tumor antigen p53, ... | Authors: | Guiley, K.Z, Shokat, K.M. | Deposit date: | 2022-06-15 | Release date: | 2022-10-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.60000908 Å) | Cite: | A Small Molecule Reacts with the p53 Somatic Mutant Y220C to Rescue Wild-type Thermal Stability. Cancer Discov, 13, 2023
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8DC4
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8DC7
| Crystal structure of p53 Y220C covalently bound to indole KG10 | Descriptor: | 4-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form, Cellular tumor antigen p53, ... | Authors: | Guiley, K.Z, Shokat, K.M. | Deposit date: | 2022-06-15 | Release date: | 2022-10-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9870069 Å) | Cite: | A Small Molecule Reacts with the p53 Somatic Mutant Y220C to Rescue Wild-type Thermal Stability. Cancer Discov, 13, 2023
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8DC8
| Crystal structure of p53 Y220C covalently bound to azaindole KG13 | Descriptor: | 2-methyl-1-[(4P)-3-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl]prop-2-en-1-one, bound form, Cellular tumor antigen p53, ... | Authors: | Guiley, K.Z, Shokat, K.M. | Deposit date: | 2022-06-15 | Release date: | 2022-10-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7200973 Å) | Cite: | A Small Molecule Reacts with the p53 Somatic Mutant Y220C to Rescue Wild-type Thermal Stability. Cancer Discov, 13, 2023
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4YOZ
| p107 pocket domain in complex with HPV E7 peptide | Descriptor: | HPV E7 peptide, Retinoblastoma-like protein 1,Retinoblastoma-like protein 1, SULFATE ION | Authors: | Liban, T.J, Guiley, K.Z, Felthousen, J.G, Ramanan, P, Litovchick, L, Rubin, S.M. | Deposit date: | 2015-03-12 | Release date: | 2015-06-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.245 Å) | Cite: | Structural mechanisms of DREAM complex assembly and regulation. Genes Dev., 29, 2015
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8T4V
| Crystal structure of compound 1 bound to K-Ras(G12D) | Descriptor: | 4-{(1R,5S)-3-[(7P)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}-4-oxobutanoic acid, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Zhang, Z, Zheng, Q, Guiley, K.Z, Shokat, K.M. | Deposit date: | 2023-06-10 | Release date: | 2024-03-13 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Strain-release alkylation of Asp12 enables mutant selective targeting of K-Ras-G12D. Nat.Chem.Biol., 20, 2024
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8TLR
| Crystal Structure of human HRAS G12C covalently bound to AMG 510 | Descriptor: | AMG 510 (bound form), GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Morstein, J, Guiley, K.Z, Shokat, K.M. | Deposit date: | 2023-07-27 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.70003951 Å) | Cite: | Targeting Ras-, Rho-, and Rab-Family GTPases via a Conserved Cryptic Pocket To Be Published
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7TLE
| Crystal Structure of small molecule beta-lactone 1 covalently bound to K-Ras(G12S) | Descriptor: | (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Ziyang, Z, Guiley, K.Z, Shokat, K.M. | Deposit date: | 2022-01-18 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98716748 Å) | Cite: | Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S). Nat.Chem.Biol., 18, 2022
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7TLK
| Crystal Structure of K-Ras(G12S) | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Ziyang, Z, Guiley, K.Z, Shokat, K.M. | Deposit date: | 2022-01-18 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.71102226 Å) | Cite: | Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S). Nat.Chem.Biol., 18, 2022
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7TLG
| Crystal Structure of small molecule beta-lactone 5 covalently bound to K-Ras(G12S) | Descriptor: | (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Ziyang, Z, Guiley, K.Z, Shokat, K.M. | Deposit date: | 2022-01-18 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.80000722 Å) | Cite: | Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S). Nat.Chem.Biol., 18, 2022
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8CX5
| Crystal Structure of small molecule alpha,beta-ketoamide 4 covalently bound to K-Ras(G12R) | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | Authors: | Zhang, Z, Morstein, J, Ecker, A, Guiley, K.Z, Shokat, K.M. | Deposit date: | 2022-05-19 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Chemoselective Covalent Modification of K-Ras(G12R) with a Small Molecule Electrophile. J.Am.Chem.Soc., 144, 2022
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7N40
| Crystal structure of LIN9-RbAp48-LIN37, a MuvB subcomplex | Descriptor: | Histone-binding protein RBBP4, Isoform 2 of Protein lin-9 homolog, Protein lin-37 homolog | Authors: | Asthana, A, Ramanan, P, Tripathi, S.M, Rubin, S.M. | Deposit date: | 2021-06-02 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The MuvB complex binds and stabilizes nucleosomes downstream of the transcription start site of cell-cycle dependent genes. Nat Commun, 13, 2022
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