8D6F
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![BU of 8d6f by Molmil](/molmil-images/mine/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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8D6C
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![BU of 8d6c by Molmil](/molmil-images/mine/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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5IBK
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![BU of 5ibk by Molmil](/molmil-images/mine/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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7M2K
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![BU of 7m2k by Molmil](/molmil-images/mine/7m2k) | CDC34A-Ubiquitin-2ab inhibitor complex | Descriptor: | 4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-N-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide, Ubiquitin, Ubiquitin-conjugating enzyme E2 R1 | Authors: | Ceccarelli, D.F, St-Cyr, D, Tyers, M, Sicheri, F. | Deposit date: | 2021-03-16 | Release date: | 2021-11-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Identification and optimization of molecular glue compounds that inhibit a noncovalent E2 enzyme-ubiquitin complex. Sci Adv, 7, 2021
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8TRV
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![BU of 8trv by Molmil](/molmil-images/mine/8trv) | Structure of the EphA2 LBDCRD bound to FabS1C_C1 | 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: | 2023-08-10 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Synthetic Antibodies targeting EPHA2 Induce Diverse Signaling-Competent Clusters with Differential Activation To be Published
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3MKS
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![BU of 3mks by Molmil](/molmil-images/mine/3mks) | Crystal Structure of yeast Cdc4/Skp1 in complex with an allosteric inhibitor SCF-I2 | Descriptor: | 1,1'-binaphthalene-2,2'-dicarboxylic acid, Cell division control protein 4, GLYCEROL, ... | Authors: | Orlicky, S, Sicheri, F, Tyers, M, Tang, X. | Deposit date: | 2010-04-15 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | An allosteric inhibitor of substrate recognition by the SCF(Cdc4) ubiquitin ligase. Nat.Biotechnol., 28, 2010
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3LJ2
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![BU of 3lj2 by Molmil](/molmil-images/mine/3lj2) | IRE1 complexed with JAK Inhibitor I | Descriptor: | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Serine/threonine-protein kinase/endoribonuclease IRE1 | 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 (3.33 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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5JMV
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![BU of 5jmv by Molmil](/molmil-images/mine/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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6ML1
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![BU of 6ml1 by Molmil](/molmil-images/mine/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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6Q0N
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![BU of 6q0n by Molmil](/molmil-images/mine/6q0n) | Structure of the Erbin PDB domain in complex with a high-affinity peptide | Descriptor: | Erbin, peptide | Authors: | Singer, A.U, Teyra, J, Ernst, A, Sicheri, F, Sidhu, S.S. | Deposit date: | 2019-08-02 | Release date: | 2019-11-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Comprehensive analysis of all evolutionary paths between two divergent PDZ domain specificities. Protein Sci., 29, 2020
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6Q0U
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![BU of 6q0u by Molmil](/molmil-images/mine/6q0u) | Structure of the Erbin PDZ variant E-6a with a high-affinity C-terminal peptide | Descriptor: | 1,2-ETHANEDIOL, Erbin, peptide | Authors: | Singer, A.U, Teyra, J, Ernst, A, Sicheri, F, Sidhu, S.S. | Deposit date: | 2019-08-02 | Release date: | 2019-11-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Comprehensive analysis of all evolutionary paths between two divergent PDZ domain specificities. Protein Sci., 29, 2020
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6Q0M
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![BU of 6q0m by Molmil](/molmil-images/mine/6q0m) | Structure of Erbin PDZ derivative E-14 with a high-affinity peptide | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Singer, A.U, Teyra, J, Ernst, A, Sicheri, F, Sidhu, S.S. | Deposit date: | 2019-08-02 | Release date: | 2019-11-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Comprehensive analysis of all evolutionary paths between two divergent PDZ domain specificities. Protein Sci., 29, 2020
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5KGF
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![BU of 5kgf by Molmil](/molmil-images/mine/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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5J26
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![BU of 5j26 by Molmil](/molmil-images/mine/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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1NEX
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![BU of 1nex by Molmil](/molmil-images/mine/1nex) | Crystal Structure of ScSkp1-ScCdc4-CPD peptide complex | Descriptor: | CDC4 protein, Centromere DNA-binding protein complex CBF3 subunit D, GLL(TPO)PPQSG | Authors: | Orlicky, S, Tang, X, Willems, A, Tyers, M, Sicheri, F. | Deposit date: | 2002-12-12 | Release date: | 2003-02-18 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis for Phosphodependent Substrate Selection and
Orientation by the SCFCdc4 Ubiquitin Ligase Cell(Cambridge,Mass.), 112, 2003
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6NSQ
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![BU of 6nsq by Molmil](/molmil-images/mine/6nsq) | Crystal structure of BRAF kinase domain bound to the inhibitor 2l | Descriptor: | 5-[(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-N-(4-chlorophenyl)-6-methylisoquinolin-1-amine, Serine/threonine-protein kinase B-raf | Authors: | Maisonneuve, P, Kurinov, I, Assadieskandar, A, Yu, C, Zhang, C, Sicheri, F. | Deposit date: | 2019-01-25 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Rigidification Dramatically Improves Inhibitor Selectivity for RAF Kinases. Acs Med.Chem.Lett., 10, 2019
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6NTC
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![BU of 6ntc by Molmil](/molmil-images/mine/6ntc) | Crystal Structure of G12V HRas-GppNHp bound in complex with the engineered RBD variant 1 of CRAF Kinase protein | Descriptor: | GLYCEROL, GTPase HRas, MAGNESIUM ION, ... | Authors: | Maisonneuve, P, Kurinov, I, Wiechmann, S, Ernst, A, Sicheri, F. | Deposit date: | 2019-01-28 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Conformation-specific inhibitors of activated Ras GTPases reveal limited Ras dependency of patient-derived cancer organoids. J.Biol.Chem., 295, 2020
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2F8K
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![BU of 2f8k by Molmil](/molmil-images/mine/2f8k) | Sequence specific recognition of RNA hairpins by the SAM domain of Vts1 | Descriptor: | 5'-R(*UP*AP*AP*UP*CP*UP*UP*UP*GP*AP*CP*AP*GP*AP*UP*U)-3', Protein VTS1 | Authors: | Aviv, T, Lin, Z, Ben-Ari, G, Smibert, C.A, Sicheri, F. | Deposit date: | 2005-12-02 | Release date: | 2006-01-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Sequence-specific recognition of RNA hairpins by the SAM domain of Vts1p. Nat.Struct.Mol.Biol., 13, 2006
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3ENP
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![BU of 3enp by Molmil](/molmil-images/mine/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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6NJG
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![BU of 6njg by Molmil](/molmil-images/mine/6njg) | |
3BS5
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![BU of 3bs5 by Molmil](/molmil-images/mine/3bs5) | Crystal Structure of hCNK2-SAM/dHYP-SAM Complex | Descriptor: | Connector enhancer of kinase suppressor of ras 2, Protein aveugle | Authors: | Rajakulendran, T, Ceccarelli, D.F, Kurinov, I, Sicheri, F. | Deposit date: | 2007-12-22 | Release date: | 2008-02-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CNK and HYP form a discrete dimer by their SAM domains to mediate RAF kinase signaling. Proc.Natl.Acad.Sci.USA, 105, 2008
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5VYK
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![BU of 5vyk by Molmil](/molmil-images/mine/5vyk) | Crystal structure of the BRS domain of BRAF in complex with the CC-SAM domain of KSR1 | Descriptor: | Chimera protein of BRS domain of BRAF and CC-SAM domain of KSR1,Serine/threonine-protein kinase B-raf, GLYCEROL | Authors: | Maisonneuve, P, Kurinov, I, Marullo, S.A, Lavoie, H, Thevakumaran, N, Sahmi, M, Jin, T, Therrien, M, SIcheri, F. | Deposit date: | 2017-05-25 | Release date: | 2018-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.749 Å) | Cite: | MEK drives BRAF activation through allosteric control of KSR proteins. Nature, 554, 2018
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5TWG
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![BU of 5twg by Molmil](/molmil-images/mine/5twg) | |
5TWF
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![BU of 5twf by Molmil](/molmil-images/mine/5twf) | |
8T7T
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![BU of 8t7t by Molmil](/molmil-images/mine/8t7t) | |