1AD5
 
 | | SRC FAMILY KINASE HCK-AMP-PNP COMPLEX | | Descriptor: | CALCIUM ION, HAEMATOPOETIC CELL KINASE HCK, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Sicheri, F, Moarefi, I, Kuriyan, J. | | Deposit date: | 1997-02-20 | | Release date: | 1997-05-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the Src family tyrosine kinase Hck.
Nature, 385, 1997
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2HCK
 | | SRC FAMILY KINASE HCK-QUERCETIN COMPLEX | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, CALCIUM ION, HEMATOPOETIC CELL KINASE HCK | | Authors: | Sicheri, F, Moarefi, I, Kuriyan, J. | | Deposit date: | 1997-02-25 | | Release date: | 1997-08-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of the Src family tyrosine kinase Hck.
Nature, 385, 1997
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1WFA
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1WFB
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8E23
 | | Human DNA polymerase theta in complex with allosteric inhibitor | | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*C)-3'), DNA (5'-D(*GP*C*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*G)-3'), ... | | Authors: | Mader, P, Pau, V.P.T, Sicheri, F. | | Deposit date: | 2022-08-13 | | Release date: | 2022-09-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Identification of RP-6685 , an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Pol theta.
J.Med.Chem., 65, 2022
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8E24
 | | Human DNA polymerase theta in complex with allosteric inhibitor | | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide, DNA, ... | | Authors: | Mader, P, Pau, V.P.T, Sicheri, F. | | Deposit date: | 2022-08-13 | | Release date: | 2022-09-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Identification of RP-6685 , an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Pol theta.
J.Med.Chem., 65, 2022
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5KGF
 | | Structural model of 53BP1 bound to a ubiquitylated and methylated nucleosome, at 4.5 A resolution | | Descriptor: | DNA (145-MER), Histone H2A type 1, Histone H2B type 1-C/E/F/G/I, ... | | Authors: | Wilson, M.D, Benlekbir, S, Sicheri, F, Rubinstein, J.L, Durocher, D. | | Deposit date: | 2016-06-13 | | Release date: | 2016-07-27 | | Last modified: | 2020-01-15 | | Method: | ELECTRON MICROSCOPY (4.54 Å) | | Cite: | The structural basis of modified nucleosome recognition by 53BP1.
Nature, 536, 2016
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7RMA
 | | Structure of the fourth UIM (Ubiquitin Interacting Motif) of ANKRD13D in complex with a high affinity UbV (Ubiquitin Variant) | | Descriptor: | Ankyrin repeat domain-containing protein 13D, SODIUM ION, SULFATE ION, ... | | Authors: | Singer, A.U, Manczyk, N, Veggiani, G, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2021-07-27 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Panel of Engineered Ubiquitin Variants Targeting the Family of Human Ubiquitin Interacting Motifs.
Acs Chem.Biol., 17, 2022
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6ML1
 | | Structure of the USP15 deubiquitinase domain in complex with an affinity-matured inhibitory Ubv | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2018-09-26 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
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2RIO
 | | Structure of the dual enzyme Ire1 reveals the basis for catalysis and regulation of non-conventional splicing | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, STRONTIUM ION, ... | | Authors: | Lee, K.P, Dey, M, Neculai, D, Cao, C, Dever, T.E, Sicheri, F. | | Deposit date: | 2007-10-12 | | Release date: | 2008-01-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the dual enzyme ire1 reveals the basis for catalysis and regulation in nonconventional RNA splicing.
Cell(Cambridge,Mass.), 132, 2008
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6UBH
 | | Structure of the MM7 Erbin PDZ variant in complex with a high-affinity peptide | | Descriptor: | Erbin, SODIUM ION, peptide | | Authors: | Singer, A.U, Teyra, J, McLaughlin, M, Ernst, A, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2019-09-11 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Comprehensive Assessment of the Relationship Between Site -2 Specificity and Helix alpha 2 in the Erbin PDZ Domain.
J.Mol.Biol., 433, 2021
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6UUO
 | | Crystal structure of BRAF kinase domain bound to the PROTAC P4B | | Descriptor: | N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | | Authors: | Maisonneuve, P, Posternak, G, Kurinov, I, Sicheri, F. | | Deposit date: | 2019-10-30 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.288 Å) | | Cite: | Functional characterization of a PROTAC directed against BRAF mutant V600E.
Nat.Chem.Biol., 16, 2020
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8BW9
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8BW8
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8D6D
 | | Crystal Structure of Human Myt1 Kinase domain Bounded with compound 39 | | Descriptor: | (1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 1,2-ETHANEDIOL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | | Authors: | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | | Deposit date: | 2022-06-06 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
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8D6C
 | | Crystal Structure of Human Myt1 Kinase domain Bounded with compound 28 | | Descriptor: | (1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | | Authors: | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | | Deposit date: | 2022-06-06 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
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8D6E
 | | Crystal Structure of Human Myt1 Kinase domain Bounded with RP-6306 | | Descriptor: | (1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | | Authors: | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | | Deposit date: | 2022-06-06 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
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8D6F
 | | Crystal Structure of Human Myt1 Kinase domain Bounded with Eph receptor inhibitor / compound 41 | | Descriptor: | (1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, SULFATE ION | | Authors: | Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F. | | Deposit date: | 2022-06-06 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
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5IBK
 | | Skp1-F-box in complex with a ubiquitin variant | | Descriptor: | F-box/WD repeat-containing protein 7, Polyubiquitin-B, S-phase kinase-associated protein 1,S-phase kinase-associated protein 1 | | Authors: | Orlicky, S, Sicheri, F. | | Deposit date: | 2016-02-22 | | Release date: | 2016-03-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.503 Å) | | Cite: | Inhibition of SCF ubiquitin ligases by engineered ubiquitin variants that target the Cul1 binding site on the Skp1-F-box interface.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5J26
 | | Crystal structure of a 53BP1 Tudor domain in complex with a ubiquitin variant | | Descriptor: | Tumor suppressor p53-binding protein 1, Ubiquitin Variant i53 | | Authors: | Wan, L, Canny, M, Juang, Y.C, Durocher, D, Sicheri, F. | | Deposit date: | 2016-03-29 | | Release date: | 2016-12-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.5047 Å) | | Cite: | A genetically encoded inhibitor of 53BP1 to stimulate homology-based gene editing
To Be Published
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5JMV
 | | Crystal structure of mjKae1-pfuPcc1 complex | | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Probable bifunctional tRNA threonylcarbamoyladenosine biosynthesis protein, ... | | Authors: | Wan, L, Sicheri, F. | | Deposit date: | 2016-04-29 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.3864696 Å) | | Cite: | Structural and functional characterization of KEOPS dimerization by Pcc1 and its role in t6A biosynthesis.
Nucleic Acids Res., 44, 2016
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1JPA
 | | Crystal Structure of unphosphorylated EphB2 receptor tyrosine kinase and juxtamembrane region | | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, neural kinase, Nuk=Eph/Elk/Eck family receptor-like tyrosine kinase | | Authors: | Wybenga-Groot, L.E, Pawson, T, Sicheri, F. | | Deposit date: | 2001-08-01 | | Release date: | 2001-10-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structural basis for autoinhibition of the Ephb2 receptor tyrosine kinase by the unphosphorylated juxtamembrane region.
Cell(Cambridge,Mass.), 106, 2001
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8T7T
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3ENP
 | | Crystal structure of human cgi121 | | Descriptor: | TP53RK-binding protein | | Authors: | Haffani, Y.Z, Ceccarelli, D.F, Neculai, D, Mao, D.Y, Sicheri, F. | | Deposit date: | 2008-09-25 | | Release date: | 2008-11-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine.
Mol.Cell, 32, 2008
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1B0X
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