8D6E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
8D6D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
8D6F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
8D6C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
6UBH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
6UUO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7KJU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kju by Molmil](/molmil-images/mine/7kju) | Cgi121-tRNA complex | Descriptor: | MAGNESIUM ION, RNA (75-MER) | Authors: | Ceccarelli, D.F, Beenstock, J, Wan, L.C.K, Sicheri, F. | Deposit date: | 2020-10-26 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | A substrate binding model for the KEOPS tRNA modifying complex. Nat Commun, 11, 2020
|
|
6NJG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6njg by Molmil](/molmil-images/mine/6njg) | |
6NTD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ntd by Molmil](/molmil-images/mine/6ntd) | Crystal Structure of G12V HRas-GppNHp bound in complex with the engineered RBD variant 12 of CRAF Kinase protein | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 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 (3.15 Å) | Cite: | Conformation-specific inhibitors of activated Ras GTPases reveal limited Ras dependency of patient-derived cancer organoids. J.Biol.Chem., 295, 2020
|
|
6NSQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
6NTC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
1JPA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jpa by Molmil](/molmil-images/mine/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
|
|
7M2K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5KGF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5JMV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5J26
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5TWH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5twh by Molmil](/molmil-images/mine/5twh) | |
2QNJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qnj by Molmil](/molmil-images/mine/2qnj) | |
2RIO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5VR3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5TWF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5twf by Molmil](/molmil-images/mine/5twf) | |
5VYK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5TWG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5twg by Molmil](/molmil-images/mine/5twg) | |
6Q0N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
6Q0U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|