8H37
 
 | | Cryo-EM Structure of the KBTBD2-CUL3-Rbx1-p85a tetrameric complex | | Descriptor: | Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ... | | Authors: | Hu, Y, Mao, Q, Chen, Z, Sun, L. | | Deposit date: | 2022-10-08 | | Release date: | 2023-10-11 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (7.52 Å) | | Cite: | Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
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6HHJ
 | | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 24b | | Descriptor: | RAC-alpha serine/threonine-protein kinase, ~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide | | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | | Deposit date: | 2018-08-28 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt.
Chem Sci, 10, 2019
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6HHF
 | | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor Borussertib | | Descriptor: | Borussertib, RAC-alpha serine/threonine-protein kinase | | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | | Deposit date: | 2018-08-28 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib inKRAS-Mutant Pancreatic and Colorectal Cancer.
Cancer Res., 79, 2019
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5G2X
 | | Structure a of Group II Intron Complexed with its Reverse Transcriptase | | Descriptor: | 5'-R(*CP*AP*CP*AP*UP*CP*CP*AP*UP*AP*AP*CP)-3', GROUP II INTRON, GROUP II INTRON-ENCODED PROTEIN LTRA | | Authors: | Qu, G, Kaushal, P.S, Wang, J, Shigematsu, H, Piazza, C.L, Agrawal, R.K, Belfort, M, Wang, H.W. | | Deposit date: | 2016-04-16 | | Release date: | 2016-05-11 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of a Group II Intron in Complex with its Reverse Transcriptase.
Nat.Struct.Mol.Biol., 23, 2016
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8IB8
 | | Human TRiC-PhLP2A-actin complex in the closed state | | Descriptor: | ACTB protein (Fragment), Phosducin-like protein 3, T-complex protein 1 subunit alpha, ... | | Authors: | Roh, S.H, Park, J, Kim, H, Lim, S. | | Deposit date: | 2023-02-09 | | Release date: | 2023-12-20 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.42 Å) | | Cite: | A structural vista of phosducin-like PhLP2A-chaperonin TRiC cooperation during the ATP-driven folding cycle.
Nat Commun, 15, 2024
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6HHI
 | | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 30b | | Descriptor: | RAC-alpha serine/threonine-protein kinase, ~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide | | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | | Deposit date: | 2018-08-28 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt.
Chem Sci, 10, 2019
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7M1V
 | | Structure of Zika virus NS2b-NS3 protease mutant binding the compound NSC86314 in the super-open conformation | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-{2,4-diamino-5-[2-(4-{[(2E)-1,3-thiazolidin-2-ylidene]sulfamoyl}phenyl)hydrazinyl]phenyl}hydrazinyl)-N-[(2S)-1,3-thiazolidin-2-yl]benzene-1-sulfonamide, CHLORIDE ION, ... | | Authors: | Aleshin, A.E, Shiryaev, S.A, Liddington, R.C. | | Deposit date: | 2021-03-15 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | To be provided
To Be Published
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1N5Y
 | | HIV-1 Reverse Transcriptase Crosslinked to Post-Translocation AZTMP-Terminated DNA (Complex P) | | Descriptor: | 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3', 5'-D(*AP*TP*GP*C*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ... | | Authors: | Sarafianos, S.G, Clark Jr, A.D, Das, K, Tuske, S, Birktoft, J.J, Ilankumaran, P, Ramesha, A.R, Sayer, J.M, Jerina, D.M, Boyer, P.L, Hughes, S.H, Arnold, E. | | Deposit date: | 2002-11-07 | | Release date: | 2003-01-28 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of HIV-1 Reverse Transcriptase with Pre-Translocation and Post-Translocation AZTMP-Terminated DNA
Embo J., 21, 2002
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6LS5
 | | Structure of human liver FBPase complexed with covalent allosteric inhibitor | | Descriptor: | 2-(ethyldisulfanyl)-1,3-benzothiazole, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | | Authors: | Yunyuan, H, Rongrong, S, Yixiang, X, Shuaishuai, N, Yanliang, R, Jian, L, Jian, W. | | Deposit date: | 2020-01-17 | | Release date: | 2020-05-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.031 Å) | | Cite: | Identification of the New Covalent Allosteric Binding Site of Fructose-1,6-bisphosphatase with Disulfiram Derivatives toward Glucose Reduction.
J.Med.Chem., 63, 2020
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8GA8
 | | Structure of the yeast (HDAC) Rpd3L complex | | Descriptor: | Histone deacetylase RPD3, Transcriptional regulatory protein DEP1, Transcriptional regulatory protein PHO23, ... | | Authors: | Patel, A.B, Radhakrishnan, I, He, Y. | | Deposit date: | 2023-02-22 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structure of the Saccharomyces cerevisiae Rpd3L histone deacetylase complex.
Nat Commun, 14, 2023
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7PA2
 | | PARK7 with inhibitor 8RK64 | | Descriptor: | (3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide, Parkinson disease protein 7 | | Authors: | Kim, R.Q, Jia, Y, Sapmaz, A, Geurink, P.P. | | Deposit date: | 2021-07-28 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput.
J.Med.Chem., 65, 2022
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7PA3
 | | PARK7 with covalent inhibitor JYQ-88 | | Descriptor: | (3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide, Parkinson disease protein 7 | | Authors: | Kim, R.Q, Jia, Y, Sapmaz, A, Geurink, P.P. | | Deposit date: | 2021-07-28 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput.
J.Med.Chem., 65, 2022
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1WBS
 | | Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. | | Descriptor: | 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE, GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE 14 | | Authors: | Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. | | Deposit date: | 2004-11-05 | | Release date: | 2005-11-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation.
J.Med.Chem., 48, 2005
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5ETA
 | | Structure of MAPK14 with bound the KIM domain of the Toxoplasma protein GRA24 | | Descriptor: | Mitogen-activated protein kinase 14, Putative transmembrane protein | | Authors: | Pellegrini, E, Palencia, A, Braun, L, Kapp, U, Bougdour, A, Belrhali, H, Bowler, M.W, Hakimi, M. | | Deposit date: | 2015-11-17 | | Release date: | 2016-10-26 | | Last modified: | 2019-02-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis for the Subversion of MAP Kinase Signaling by an Intrinsically Disordered Parasite Secreted Agonist.
Structure, 25, 2017
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5ETI
 | | Structure of dead kinase MAPK14 | | Descriptor: | Mitogen-activated protein kinase 14 | | Authors: | Pellegrini, E, Bowler, M.W. | | Deposit date: | 2015-11-17 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation.
Science, 381, 2023
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5ETF
 | | Structure of dead kinase MAPK14 with bound the KIM domain of MKK6 | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 6, Mitogen-activated protein kinase 14 | | Authors: | Pellegrini, E, Palencia, A, Braun, L, Kapp, U, Bougdour, A, Belrhali, H, Bowler, M.W, Hakimi, M. | | Deposit date: | 2015-11-17 | | Release date: | 2016-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis for the Subversion of MAP Kinase Signaling by an Intrinsically Disordered Parasite Secreted Agonist.
Structure, 25, 2017
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5ETC
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7XX5
 | | Crystal Structure of Nucleosome-H1.3 Linker Histone Assembly (sticky-169a DNA fragment) | | Descriptor: | CALCIUM ION, DNA (169-MER), Histone H1.3, ... | | Authors: | Adhireksan, Z, Qiuye, B, Lee, P.L, Sharma, D, Padavattan, S, Davey, C.A. | | Deposit date: | 2022-05-28 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Crystal Structure of Nucleosome-H1.0 Linker Histone Assembly (sticky-169a DNA fragment)
To Be Published
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1WBN
 | | fragment based p38 inhibitors | | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA | | Authors: | Cleasby, A, Devine, L.A, Gill, A.L, Jhoti, H. | | Deposit date: | 2004-11-04 | | Release date: | 2005-11-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation.
J.Med.Chem., 48, 2005
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7Y5V
 | | Cryo-EM structure of the dimeric human CAF1LC-H3-H4 complex | | Descriptor: | Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ... | | Authors: | Liu, C.P, Yu, C, Yu, Z.Y, Xu, R.M. | | Deposit date: | 2022-06-17 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
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7Y5U
 | | Cryo-EM structure of the monomeric human CAF1LC-H3-H4 complex | | Descriptor: | Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ... | | Authors: | Liu, C.P, Yu, Z.Y, Yu, C, Xu, R.M. | | Deposit date: | 2022-06-17 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
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1WBV
 | | Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. | | Descriptor: | 3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-4-YLBENZAMIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. | | Deposit date: | 2004-11-05 | | Release date: | 2005-11-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation.
J.Med.Chem., 48, 2005
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1WBW
 | | Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. | | Descriptor: | 3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE, MITOGEN-ACTIVATED PROTEIN KINASE 14 | | Authors: | Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. | | Deposit date: | 2004-11-05 | | Release date: | 2005-11-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation
J.Med.Chem., 48, 2005
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7B5O
 | | Cryo-EM structure of the human CAK bound to ICEC0942 at 2.5 Angstroms resolution | | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | | Authors: | Greber, B.J, Remis, J, Ali, S, Nogales, E. | | Deposit date: | 2020-12-05 | | Release date: | 2021-02-10 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | 2.5 angstrom -resolution structure of human CDK-activating kinase bound to the clinical inhibitor ICEC0942.
Biophys.J., 120, 2021
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7B5Q
 | | Cryo-EM structure of the human CAK bound to ICEC0942 (PHENIX-OPLS3e) | | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | | Authors: | Greber, B.J, Remis, J, Ali, S, Nogales, E. | | Deposit date: | 2020-12-05 | | Release date: | 2021-02-10 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | 2.5 angstrom -resolution structure of human CDK-activating kinase bound to the clinical inhibitor ICEC0942.
Biophys.J., 120, 2021
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