1AD5
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![BU of 1ad5 by Molmil](/molmil-images/mine/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
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![BU of 2hck by Molmil](/molmil-images/mine/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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6DJ9
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![BU of 6dj9 by Molmil](/molmil-images/mine/6dj9) | Structure of the USP15 DUSP domain in complex with a high-affinity Ubiquitin Variant (UbV) | Descriptor: | Ubiquitin Variant UbV 15.D, Ubiquitin carboxyl-terminal hydrolase 15 | Authors: | Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S. | Deposit date: | 2018-05-24 | Release date: | 2019-01-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15. Structure, 27, 2019
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5VR3
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![BU of 5vr3 by Molmil](/molmil-images/mine/5vr3) | Crystal structure of the BRS domain of BRAF | Descriptor: | BRAF, SULFATE ION | Authors: | Thevakumaran, N, Maisonneuve, P, Kurinov, I, Lavoie, H, Marullo, S.A, Sahmi, M, Jin, T, Therrien, M, Sicheri, F. | Deposit date: | 2017-05-10 | Release date: | 2018-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | MEK drives BRAF activation through allosteric control of KSR proteins. Nature, 554, 2018
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2RIO
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![BU of 2rio by Molmil](/molmil-images/mine/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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2HEN
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![BU of 2hen by Molmil](/molmil-images/mine/2hen) | |
3LJ0
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![BU of 3lj0 by Molmil](/molmil-images/mine/3lj0) | IRE1 complexed with ADP and Quercetin | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Lee, K.P.K, Sicheri, F. | Deposit date: | 2010-01-25 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Flavonol activation defines an unanticipated ligand-binding site in the kinase-RNase domain of IRE1. Mol.Cell, 38, 2010
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8BW8
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![BU of 8bw8 by Molmil](/molmil-images/mine/8bw8) | |
4PDP
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![BU of 4pdp by Molmil](/molmil-images/mine/4pdp) | |
8BW9
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![BU of 8bw9 by Molmil](/molmil-images/mine/8bw9) | |
8TV1
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![BU of 8tv1 by Molmil](/molmil-images/mine/8tv1) | Structure of the EphA2 LBDCRD bound to FabS1C_L1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Ephrin type-A receptor 2, ... | Authors: | Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. | Deposit date: | 2023-08-17 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Synthetic Antibodies targeting EPHA2 Induce Diverse Signaling-Competent Clusters with Differential Activation To be published
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7RMA
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![BU of 7rma by Molmil](/molmil-images/mine/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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4PL4
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![BU of 4pl4 by Molmil](/molmil-images/mine/4pl4) | Crystal structure of murine IRE1 in complex with OICR464 inhibitor | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F. | Deposit date: | 2014-05-16 | Release date: | 2014-09-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors. Nat Commun, 5, 2014
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4PL5
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![BU of 4pl5 by Molmil](/molmil-images/mine/4pl5) | Crystal structure of murine IRE1 in complex with OICR573 inhibitor | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F. | Deposit date: | 2014-05-16 | Release date: | 2014-09-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors. Nat Commun, 5, 2014
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6UUO
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![BU of 6uuo by Molmil](/molmil-images/mine/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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4PL3
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![BU of 4pl3 by Molmil](/molmil-images/mine/4pl3) | Crystal structure of murine IRE1 in complex with MKC9989 inhibitor | Descriptor: | 7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F. | Deposit date: | 2014-05-16 | Release date: | 2014-09-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors. Nat Commun, 5, 2014
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4QLB
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![BU of 4qlb by Molmil](/molmil-images/mine/4qlb) | Structural Basis for the Recruitment of Glycogen Synthase by Glycogenin | Descriptor: | GLYCEROL, Probable glycogen [starch] synthase, Protein GYG-1, ... | Authors: | Zeqiraj, E, Judd, A, Sicheri, F. | Deposit date: | 2014-06-11 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for the recruitment of glycogen synthase by glycogenin. Proc.Natl.Acad.Sci.USA, 111, 2014
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6UBH
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![BU of 6ubh by Molmil](/molmil-images/mine/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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8E23
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![BU of 8e23 by Molmil](/molmil-images/mine/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
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![BU of 8e24 by Molmil](/molmil-images/mine/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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4DDG
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![BU of 4ddg by Molmil](/molmil-images/mine/4ddg) | Crystal structure of human OTUB1/UbcH5b~Ub/Ub | Descriptor: | Polyubiquitin-C, Ubiquitin-conjugating enzyme E2 D2, Ubiquitin thioesterase OTUB1 | Authors: | Juang, Y.C, Sanches, M, Sicheri, F. | Deposit date: | 2012-01-18 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2987 Å) | Cite: | OTUB1 Co-opts Lys48-Linked Ubiquitin Recognition to Suppress E2 Enzyme Function. Mol.Cell, 45, 2012
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4DDI
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![BU of 4ddi by Molmil](/molmil-images/mine/4ddi) | Crystal structure of human OTUB1/UbcH5b~Ub/Ub | Descriptor: | Polyubiquitin-C, Ubiquitin-conjugating enzyme E2 D2, Ubiquitin thioesterase OTUB1 | Authors: | Juang, Y.C, Sanches, M, Sicheri, F. | Deposit date: | 2012-01-18 | Release date: | 2012-02-22 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (3.802 Å) | Cite: | OTUB1 Co-opts Lys48-Linked Ubiquitin Recognition to Suppress E2 Enzyme Function. Mol.Cell, 45, 2012
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2D3D
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![BU of 2d3d by Molmil](/molmil-images/mine/2d3d) | crystal structure of the RNA binding SAM domain of saccharomyces cerevisiae Vts1 | Descriptor: | CALCIUM ION, Vts1 protein | Authors: | Aviv, T, Amborski, A.N, Zhao, X.S, Kwan, J.J, Johnson, P.E, Sicheri, F, Donaldson, L.W. | Deposit date: | 2005-09-27 | Release date: | 2006-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The NMR and X-ray Structures of the Saccharomyces cerevisiae Vts1 SAM Domain Define a Surface for the Recognition of RNA Hairpins J.Mol.Biol., 356, 2006
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8D6E
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![BU of 8d6e by Molmil](/molmil-images/mine/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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8D6D
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![BU of 8d6d by Molmil](/molmil-images/mine/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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