1WCN
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1WBS
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![BU of 1wbs by Molmil](/molmil-images/mine/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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3HP2
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![BU of 3hp2 by Molmil](/molmil-images/mine/3hp2) | Crystal Structure of Human p38alpha complexed with a pyridinone compound | Descriptor: | 1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | Authors: | Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G. | Deposit date: | 2009-06-03 | Release date: | 2009-09-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of N-substituted pyridinones as potent and selective inhibitors of p38 kinase. Bioorg.Med.Chem.Lett., 19, 2009
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1WCL
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1WBN
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![BU of 1wbn by Molmil](/molmil-images/mine/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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6E49
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![BU of 6e49 by Molmil](/molmil-images/mine/6e49) | Pif1 peptide bound to PCNA trimer | Descriptor: | ATP-dependent DNA helicase PIF1, Proliferating cell nuclear antigen | Authors: | Buzovetsky, O, Kwon, Y, Pham, N.T, Kim, C, Ira, G, Sung, P, Xiong, Y. | Deposit date: | 2018-07-17 | Release date: | 2018-08-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Role of the Pif1-PCNA Complex in Pol delta-Dependent Strand Displacement DNA Synthesis and Break-Induced Replication. Cell Rep, 21, 2017
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6L99
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![BU of 6l99 by Molmil](/molmil-images/mine/6l99) | Zinc finger of RING finger protein 144A | Descriptor: | E3 ubiquitin-protein ligase RNF144A, ZINC ION | Authors: | Miyamoto, K. | Deposit date: | 2019-11-08 | Release date: | 2020-11-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Zinc finger of RING finger protein 144A To Be Published
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3HV5
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![BU of 3hv5 by Molmil](/molmil-images/mine/3hv5) | Human p38 MAP Kinase in Complex with RL24 | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(6-nitroquinolin-4-yl)amino]phenyl}urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ... | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-06-15 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Displacement assay for the detection of stabilizers of inactive kinase conformations. J.Med.Chem., 53, 2010
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1WYR
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![BU of 1wyr by Molmil](/molmil-images/mine/1wyr) | Solution structure of the CH domain of human Rho guanine nucleotide exchange factor 6 | Descriptor: | Rho guanine nucleotide exchange factor 6 | Authors: | Tomizawa, T, Kigawa, T, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-02-15 | Release date: | 2005-08-15 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the CH domain of human Rho guanine nucleotide exchange factor 6 To be Published
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6ZUF
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![BU of 6zuf by Molmil](/molmil-images/mine/6zuf) | Urea-based Foldamer Inhibitor chimera C2 in complex with ASF1 Histone chaperone | Descriptor: | C2 foldamer/peptide hybrid inhibitor of histone chaperone ASF1, GLYCEROL, Histone chaperone ASF1A, ... | Authors: | Bakail, M, Mbianda, J, Perrin, E.M, Guerois, R, Legrand, P, Traore, S, Douat, C, Guichard, G, Ochsenbein, F. | Deposit date: | 2020-07-22 | Release date: | 2021-06-09 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Optimal anchoring of a foldamer inhibitor of ASF1 histone chaperone through backbone plasticity. Sci Adv, 7, 2021
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7AA9
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![BU of 7aa9 by Molmil](/molmil-images/mine/7aa9) | Structure of SCOC pT13/pT15 LIR motif bound to GABARAPL1 | Descriptor: | Gamma-aminobutyric acid receptor-associated protein-like 1, pT13/PT15 SCOC LIR | Authors: | Lee, R, Mouilleron, S, Wirth, M, Zhang, W, O Reilly, N, Dhira, J, Tooze, S. | Deposit date: | 2020-09-03 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Phosphorylation of the LIR Domain of SCOC Modulates ATG8 Binding Affinity and Specificity. J.Mol.Biol., 433, 2021
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3HQD
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![BU of 3hqd by Molmil](/molmil-images/mine/3hqd) | Human kinesin Eg5 motor domain in complex with AMPPNP and Mg2+ | Descriptor: | Kinesin-like protein KIF11, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Parke, C.L, Wojcik, E.J, Kim, S, Worthylake, D.K. | Deposit date: | 2009-06-05 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | ATP Hydrolysis in Eg5 Kinesin Involves a Catalytic Two-water Mechanism. J.Biol.Chem., 285, 2010
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3HN8
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![BU of 3hn8 by Molmil](/molmil-images/mine/3hn8) | Crystal structure of synaptotagmin | Descriptor: | CALCIUM ION, Synaptotagmin-3, ZINC ION | Authors: | Strop, P, Vrljic, M, Ernst, J, Brunger, A.T. | Deposit date: | 2009-05-30 | Release date: | 2010-02-23 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Molecular mechanism of the synaptotagmin-SNARE interaction in Ca2+-triggered vesicle fusion. Nat.Struct.Mol.Biol., 17, 2010
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3HRB
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![BU of 3hrb by Molmil](/molmil-images/mine/3hrb) | p38 kinase Crystal structure in complex with small molecule inhibitor | Descriptor: | Mitogen-activated protein kinase 14, [3-amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone | Authors: | Segarra, V, Lumeras, W, Vidal, B, Leonard, P, Fisher, M, Lamers, M. | Deposit date: | 2009-06-09 | Release date: | 2009-09-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design, synthesis, and structure-activity relationships of aminopyridine N-oxides, a novel scaffold for the potent and selective inhibition of p38 mitogen activated protein kinase J.Med.Chem., 52, 2009
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7AA7
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![BU of 7aa7 by Molmil](/molmil-images/mine/7aa7) | Structure of SCOC pS12/pS18 LIR motif bound to GABARAPL1 | Descriptor: | Gamma-aminobutyric acid receptor-associated protein-like 1, pS12/pS18 SCOC LIR, sulfoacetic acid | Authors: | Lee, R, Mouilleron, S, Wirth, M, Zhang, W, O Reilly, N, Dhira, J, Tooze, S. | Deposit date: | 2020-09-03 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Phosphorylation of the LIR Domain of SCOC Modulates ATG8 Binding Affinity and Specificity. J.Mol.Biol., 433, 2021
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3HP5
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![BU of 3hp5 by Molmil](/molmil-images/mine/3hp5) | Crystal Structure of Human p38alpha complexed with a pyrimidopyridazinone compound | Descriptor: | 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one, Mitogen-activated protein kinase 14 | Authors: | Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G. | Deposit date: | 2009-06-03 | Release date: | 2009-09-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of N-substituted pyridinones as potent and selective inhibitors of p38 kinase. Bioorg.Med.Chem.Lett., 19, 2009
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3HV6
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![BU of 3hv6 by Molmil](/molmil-images/mine/3hv6) | Human p38 MAP Kinase in Complex with RL39 | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-06-15 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Displacement assay for the detection of stabilizers of inactive kinase conformations. J.Med.Chem., 53, 2010
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6LQS
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3W0I
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![BU of 3w0i by Molmil](/molmil-images/mine/3w0i) | Crystal Structure of Rat VDR Ligand Binding Domain in Complex with Novel Nonsecosteroidal Ligands | Descriptor: | (2S)-3-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)pentan-3-yl]phenoxy}propane-1,2-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 Receptor | Authors: | Shimizu, T, Asano, L, Kuwabara, N, Ito, I, Waku, T, Yanagisawa, J, Miyachi, H. | Deposit date: | 2012-10-30 | Release date: | 2013-10-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for vitamin D receptor agonism by novel non-secosteroidal ligands. Febs Lett., 587, 2013
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1WBO
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![BU of 1wbo by Molmil](/molmil-images/mine/1wbo) | fragment based p38 inhibitors | Descriptor: | 2-CHLOROPHENOL, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Cleasby, A, Devine, L, Gill, A, Jhoti, H. | Deposit date: | 2004-11-04 | Release date: | 2005-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Fragment-Based Lead Discovery Using X-Ray Crystallography J.Med.Chem., 48, 2005
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1WBW
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![BU of 1wbw by Molmil](/molmil-images/mine/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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6LQR
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1WD2
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![BU of 1wd2 by Molmil](/molmil-images/mine/1wd2) | Solution Structure of the C-terminal RING from a RING-IBR-RING (TRIAD) motif | Descriptor: | Ariadne-1 protein homolog, ZINC ION | Authors: | Capili, A.D, Edghill, E.L, Wu, K, Borden, K.L.B. | Deposit date: | 2004-05-11 | Release date: | 2004-07-20 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the C-terminal RING Finger from a RING-IBR-RING/TRIAD Motif Reveals a Novel Zinc-binding Domain Distinct from a RING J.Mol.Biol., 340, 2004
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6ZRW
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![BU of 6zrw by Molmil](/molmil-images/mine/6zrw) | Crystal structure of the fungal lectin CML1 | Descriptor: | ACETATE ION, GLYCEROL, Mucin-binding lectin 1, ... | Authors: | Bleuler-Martinez, S, Olieric, V, Sharpe, M, Capitani, G, Aebi, M, Kuenzler, M. | Deposit date: | 2020-07-15 | Release date: | 2021-07-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure-function relationship of a novel fucoside-binding fruiting body lectin from Coprinopsis cinerea exhibiting nematotoxic activity. Glycobiology, 32, 2022
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6ZU2
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![BU of 6zu2 by Molmil](/molmil-images/mine/6zu2) | CML1 crystal structure in complex with H-type 1 trisaccharide | Descriptor: | Mucin-binding lectin 1, SULFATE ION, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Varrot, A, Bleuler-Martinez, S. | Deposit date: | 2020-07-21 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-function relationship of a novel fucoside-binding fruiting body lectin from Coprinopsis cinerea exhibiting nematotoxic activity. Glycobiology, 32, 2022
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