2GHL
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![BU of 2ghl by Molmil](/molmil-images/mine/2ghl) | Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor PG-874743 | Descriptor: | 3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA, Mitogen-activated protein kinase 14 | Authors: | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Brugel, T.A. | Deposit date: | 2006-03-27 | Release date: | 2006-04-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1. Bioorg.Med.Chem.Lett., 16, 2006
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2Z9G
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![BU of 2z9g by Molmil](/molmil-images/mine/2z9g) | Complex structure of SARS-CoV 3C-like protease with PMA | Descriptor: | 3C-like proteinase, BENZENE, MERCURY (II) ION | Authors: | Lee, C.C, Wang, A.H. | Deposit date: | 2007-09-19 | Release date: | 2007-12-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural basis of mercury- and zinc-conjugated complexes as SARS-CoV 3C-like protease inhibitors. Febs Lett., 581, 2007
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7NHT
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![BU of 7nht by Molmil](/molmil-images/mine/7nht) | Akirin2 bound human proteasome | Descriptor: | Akirin-2, POTASSIUM ION, Proteasome subunit alpha type-1, ... | Authors: | Singh, K, Brunner, H, Grishkovskaya, I, de Almeida, M, Hinterndorfer, M, Zuber, J, Haselbach, D. | Deposit date: | 2021-02-11 | Release date: | 2021-09-01 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | AKIRIN2 controls the nuclear import of proteasomes in vertebrates. Nature, 599, 2021
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8OE4
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![BU of 8oe4 by Molmil](/molmil-images/mine/8oe4) | Cryo-EM structure of a pre-dimerized human IL-23 complete extracellular signaling complex. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 receptor subunit beta-1,Death-associated protein kinase 1, ... | Authors: | Bloch, Y, Felix, J, Savvides, S.N. | Deposit date: | 2023-03-10 | Release date: | 2024-02-07 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structures of complete extracellular receptor assemblies mediated by IL-12 and IL-23. Nat.Struct.Mol.Biol., 31, 2024
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7MYO
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![BU of 7myo by Molmil](/molmil-images/mine/7myo) | Cryo-EM structure of p110alpha in complex with p85alpha inhibited by BYL-719 | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K. | Deposit date: | 2021-05-21 | Release date: | 2021-11-10 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MYN
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![BU of 7myn by Molmil](/molmil-images/mine/7myn) | Cryo-EM Structure of p110alpha in complex with p85alpha | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K. | Deposit date: | 2021-05-21 | Release date: | 2021-11-10 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation. Proc.Natl.Acad.Sci.USA, 118, 2021
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2WHH
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![BU of 2whh by Molmil](/molmil-images/mine/2whh) | HIV-1 protease tethered dimer Q-product complex along with nucleophilic water molecule | Descriptor: | GLUTAMIC ACID, PARA-NITROPHENYLALANINE, POL PROTEIN | Authors: | Prashar, V, Bihani, S, Das, A, Ferrer, J.L, Hosur, M.V. | Deposit date: | 2009-05-05 | Release date: | 2009-12-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Catalytic Water Co-Existing with a Product Peptide in the Active Site of HIV-1 Protease Revealed by X- Ray Structure Analysis. Plos One, 4, 2009
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3BTU
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![BU of 3btu by Molmil](/molmil-images/mine/3btu) | |
2GTN
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![BU of 2gtn by Molmil](/molmil-images/mine/2gtn) | Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-951717 | Descriptor: | 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE, Mitogen-activated protein kinase 14, SULFATE ION | Authors: | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M. | Deposit date: | 2006-04-28 | Release date: | 2006-07-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production. Bioorg.Med.Chem.Lett., 16, 2006
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4LOO
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![BU of 4loo by Molmil](/molmil-images/mine/4loo) | Structural basis of autoactivation of p38 alpha induced by TAB1 (Monoclinic crystal form) | Descriptor: | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, Mitogen-activated protein kinase 14, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | Authors: | Chaikuad, A, DeNicola, G.F, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Marber, M.S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-07-13 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mechanism and consequence of the autoactivation of p38 alpha mitogen-activated protein kinase promoted by TAB1. Nat.Struct.Mol.Biol., 20, 2013
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4LOQ
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![BU of 4loq by Molmil](/molmil-images/mine/4loq) | Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form with bound sulphate) | Descriptor: | 1,2-ETHANEDIOL, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, Mitogen-activated protein kinase 14, ... | Authors: | Chaikuad, A, DeNicola, G.F, Yue, W.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Marber, M.S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-07-13 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.319 Å) | Cite: | Mechanism and consequence of the autoactivation of p38 alpha mitogen-activated protein kinase promoted by TAB1. Nat.Struct.Mol.Biol., 20, 2013
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3JTG
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![BU of 3jtg by Molmil](/molmil-images/mine/3jtg) | Crystal structure of mouse Elf3 C-terminal DNA-binding domain in complex with type II TGF-beta receptor promoter DNA | Descriptor: | DNA (5'-D(*CP*AP*AP*AP*CP*AP*GP*GP*AP*AP*AP*CP*TP*CP*CP*T)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*GP*TP*TP*TP*CP*CP*TP*GP*TP*TP*T)-3'), ETS-related transcription factor Elf-3 | Authors: | Tahirov, T.H, Babayeva, N.D, Agarkar, V.B, Rizzino, A. | Deposit date: | 2009-09-11 | Release date: | 2010-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of mouse Elf3 C-terminal DNA-binding domain in complex with type II TGF-beta receptor promoter DNA. J.Mol.Biol., 397, 2010
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8U14
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![BU of 8u14 by Molmil](/molmil-images/mine/8u14) | Cryo-EM structure of the human nucleosome core particle ubiquitylated at histone H2A lysine 15 in complex with RNF168-UbcH5c (class 2) | Descriptor: | DNA (146-MER), DNA (147-MER), E3 ubiquitin-protein ligase RNF168, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-08-30 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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2Z9J
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![BU of 2z9j by Molmil](/molmil-images/mine/2z9j) | Complex structure of SARS-CoV 3C-like protease with EPDTC | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, zinc(II)hydrogensulfide | Authors: | Lee, C.C, Wang, A.H. | Deposit date: | 2007-09-20 | Release date: | 2007-12-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis of mercury- and zinc-conjugated complexes as SARS-CoV 3C-like protease inhibitors. Febs Lett., 581, 2007
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2JNJ
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![BU of 2jnj by Molmil](/molmil-images/mine/2jnj) | Solution structure of the p8 TFIIH subunit | Descriptor: | TFIIH basal transcription factor complex TTD-A subunit | Authors: | Vitorino, M, Atkinson, R.A, Moras, D, Poterszman, A, Kieffer, B, Structural Proteomics in Europe 2 (SPINE-2) | Deposit date: | 2007-01-26 | Release date: | 2007-04-10 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Solution Structure and Self-association Properties of the p8 TFIIH Subunit Responsible for Trichothiodystrophy J.Mol.Biol., 368, 2007
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7TFI
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![BU of 7tfi by Molmil](/molmil-images/mine/7tfi) | Atomic model of the S. cerevisiae clamp-clamp loader complex PCNA-RFC bound to DNA with an open clamp | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | Deposit date: | 2022-01-06 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Cryo-EM structures reveal that RFC recognizes both the 3'- and 5'-DNA ends to load PCNA onto gaps for DNA repair. Elife, 11, 2022
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7TFH
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![BU of 7tfh by Molmil](/molmil-images/mine/7tfh) | Atomic model of the S. cerevisiae clamp-clamp loader complex PCNA-RFC bound to two DNA molecules, one at the 5'-recessed end and the other at the 3'-recessed end | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | Deposit date: | 2022-01-06 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Cryo-EM structures reveal that RFC recognizes both the 3'- and 5'-DNA ends to load PCNA onto gaps for DNA repair. Elife, 11, 2022
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7TFJ
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![BU of 7tfj by Molmil](/molmil-images/mine/7tfj) | Atomic model of S. cerevisiae clamp-clamp loader complex PCNA-RFC bound to DNA with a closed clamp ring | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | Deposit date: | 2022-01-06 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures reveal that RFC recognizes both the 3'- and 5'-DNA ends to load PCNA onto gaps for DNA repair. Elife, 11, 2022
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5U6I
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![BU of 5u6i by Molmil](/molmil-images/mine/5u6i) | Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | Descriptor: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. | Deposit date: | 2016-12-08 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity. J. Med. Chem., 60, 2017
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7Z38
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![BU of 7z38 by Molmil](/molmil-images/mine/7z38) | Structure of the RAF1-HSP90-CDC37 complex (RHC-I) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, Hsp90 co-chaperone Cdc37, ... | Authors: | Mesa, P, Garcia-Alonso, S, Barbacid, M, Montoya, G. | Deposit date: | 2022-03-01 | Release date: | 2022-09-14 | Last modified: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Structure of the RAF1-HSP90-CDC37 complex reveals the basis of RAF1 regulation. Mol.Cell, 82, 2022
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7Z37
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![BU of 7z37 by Molmil](/molmil-images/mine/7z37) | Structure of the RAF1-HSP90-CDC37 complex (RHC-II) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, Hsp90 co-chaperone Cdc37, ... | Authors: | Mesa, P, Garcia-Alonso, S, Barbacid, M, Montoya, G. | Deposit date: | 2022-03-01 | Release date: | 2022-09-14 | Last modified: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (3.67 Å) | Cite: | Structure of the RAF1-HSP90-CDC37 complex reveals the basis of RAF1 regulation. Mol.Cell, 82, 2022
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2GHM
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![BU of 2ghm by Molmil](/molmil-images/mine/2ghm) | Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-895449 | Descriptor: | 3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA, Mitogen-activated protein kinase 14 | Authors: | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Maier, J.A. | Deposit date: | 2006-03-27 | Release date: | 2006-05-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1. Bioorg.Med.Chem.Lett., 16, 2006
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5LGM
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![BU of 5lgm by Molmil](/molmil-images/mine/5lgm) | Gp5.7 mutant L42A | Descriptor: | Fusion protein 5.5/5.7 | Authors: | Liu, B, Matthews, S. | Deposit date: | 2016-07-07 | Release date: | 2017-08-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Gp5.7 mutant L42A to be published
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4JQI
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![BU of 4jqi by Molmil](/molmil-images/mine/4jqi) | Structure of active beta-arrestin1 bound to a G protein-coupled receptor phosphopeptide | Descriptor: | 1,2-ETHANEDIOL, Beta-arrestin-1, CHLORIDE ION, ... | Authors: | Shukla, A.K, Manglik, A, Kruse, A.C, Xiao, K, Reis, R.I, Tseng, W.C, Staus, D.P, Hilger, D, Uysal, S, Huang, L.H, Paduch, M, Shukla, P.T, Koide, A, Koide, S, Weis, W.I, Kossiakoff, A.A, Kobilka, B.K, Lefkowitz, R.J. | Deposit date: | 2013-03-20 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of active beta-arrestin-1 bound to a G-protein-coupled receptor phosphopeptide. Nature, 497, 2013
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6CPW
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![BU of 6cpw by Molmil](/molmil-images/mine/6cpw) | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology | Descriptor: | (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Hruza, A, Hruza, A. | Deposit date: | 2018-03-14 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology. Bioorg. Med. Chem. Lett., 28, 2018
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