4YWL
 
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7L1X
 | | Structure of human CK2 alpha kinase (catalytic subunit) with the inhibitor 108600. | | Descriptor: | (2~{Z})-6-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-2-[[4-oxidanyl-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methylidene]-4~{H}-1,4-benzothiazin-3-one, Casein kinase II subunit alpha, GLYCEROL, ... | | Authors: | Rechkoblit, O, Aggarwal, A.K. | | Deposit date: | 2020-12-15 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Simultaneous CK2/TNIK/DYRK1 inhibition by 108600 suppresses triple negative breast cancer stem cells and chemotherapy-resistant disease.
Nat Commun, 12, 2021
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4WWF
 | | High-resolution structure of two Ni-bound forms of the M123C mutant of C. metallidurans CnrXs | | Descriptor: | NICKEL (II) ION, Nickel and cobalt resistance protein CnrR, SODIUM ION | | Authors: | Volbeda, A, Coves, J, Maillard, A.P, Kinnemann, S, Grosse, C, Schleuder, G, Petit-Hurtlein, I, de Rosny, E, Nies, D.H. | | Deposit date: | 2014-11-10 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Response of CnrX from Cupriavidus metallidurans CH34 to nickel binding.
Metallomics, 7, 2015
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6CJ5
 | | Crystal Structure of Mnk2-D228G in Complex With Inhibitor | | Descriptor: | 3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | | Authors: | Han, Q. | | Deposit date: | 2018-02-26 | | Release date: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
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6CKI
 | | Co-crystal structure of MNK2 in Complex With Inhibitor | | Descriptor: | 3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | | Authors: | Han, Q. | | Deposit date: | 2018-02-28 | | Release date: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
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6CJH
 | | Co-crystal structure of MNK2 in complex with an inhibitor | | Descriptor: | 3-phenyl-5-(pyridin-4-yl)-1H-indazole, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | | Authors: | Han, Q. | | Deposit date: | 2018-02-26 | | Release date: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
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6CJE
 | | Crystal Structure of Mnk2-D228G in complex with Inhibitor | | Descriptor: | 4-[(9H-purin-6-yl)amino]benzamide, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | | Authors: | Han, Q. | | Deposit date: | 2018-02-26 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.36 Å) | | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
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6CK3
 | | Co-crytsal Structure of MNK2 in Complex With an Inhibitor | | Descriptor: | (3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one, CHLORIDE ION, MAP kinase-interacting serine/threonine-protein kinase 2, ... | | Authors: | Han, Q. | | Deposit date: | 2018-02-27 | | Release date: | 2018-05-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
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6CJW
 | | Crystal Structure of Mnk2-D228G in Complex With Inhibitor | | Descriptor: | 3-(pyridin-4-yl)imidazo[1,2-b]pyridazine, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | | Authors: | Han, Q. | | Deposit date: | 2018-02-27 | | Release date: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (3.38 Å) | | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
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6O6H
 | | RIAM cc-RA-PH structure in the P21212 space group | | Descriptor: | Amyloid beta A4 precursor protein-binding family B member 1-interacting protein | | Authors: | Wu, J. | | Deposit date: | 2019-03-06 | | Release date: | 2020-09-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Phosphorylation of RIAM by Src Promotes Integrin Activation by Unmasking the PH Domain of RIAM.
Structure, 2020
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7BL1
 | | human complex II-BATS bound to membrane-attached Rab5a-GTP | | Descriptor: | Beclin-1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Tremel, S, Morado, D.R, Kovtun, O, Williams, R.L, Briggs, J.A.G, Munro, S, Ohashi, Y, Bertram, J, Perisic, O. | | Deposit date: | 2021-01-17 | | Release date: | 2021-03-03 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (9.8 Å) | | Cite: | Structural basis for VPS34 kinase activation by Rab1 and Rab5 on membranes.
Nat Commun, 12, 2021
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4MFZ
 | | The crystal structure of acyltransferase in complex with decanoyl-CoA | | Descriptor: | Dbv8 protein, SODIUM ION, SULFATE ION, ... | | Authors: | Lyu, S.Y, Liu, Y.C, Chang, C.Y, Huang, C.J, Li, T.L. | | Deposit date: | 2013-08-28 | | Release date: | 2014-09-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
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4MFP
 | | The crystal structure of acyltransferase in complex with decanoyl-CoA and Tei pseudoaglycone | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose, COENZYME A, ... | | Authors: | Lyu, S.Y, Liu, Y.C, Chang, C.Y, Huang, C.J, Li, T.L. | | Deposit date: | 2013-08-28 | | Release date: | 2014-09-03 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
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4MFQ
 | | The crystal structure of acyltransferase in complex with CoA and 10C-Teicoplanin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose, COENZYME A, ... | | Authors: | Lyu, S.Y, Liu, Y.C, Chang, C.Y, Huang, C.J, Li, T.L. | | Deposit date: | 2013-08-28 | | Release date: | 2014-09-03 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
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4MFJ
 | | The crystal structure of acyltransferase | | Descriptor: | Putative uncharacterized protein tcp24 | | Authors: | Lyu, S.Y, Liu, Y.C, Chang, C.Y, Huang, C.J, Li, T.L. | | Deposit date: | 2013-08-28 | | Release date: | 2014-09-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
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4MFL
 | | The crystal structure of acyltransferase in complex with decanoyl-CoA and Tei pseudoaglycone | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose, Putative uncharacterized protein tcp24, ... | | Authors: | Lyu, S.Y, Liu, Y.C, Chang, C.Y, Huang, C.J, Li, T.L. | | Deposit date: | 2013-08-28 | | Release date: | 2014-09-03 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
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7JX4
 | | Crystal Structure of N-Lysine Peptoid-modified Collagen Triple Helix | | Descriptor: | Collagen mimetic peptide with N-Lysine guest | | Authors: | Yu, M.S, Whitby, F.G, Hill, C.P, Kessler, J.L, Yang, L.D. | | Deposit date: | 2020-08-26 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Peptoid Residues Make Diverse, Hyperstable Collagen Triple-Helices.
J.Am.Chem.Soc., 143, 2021
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7JX5
 | | Crystal Structure of N-Phenylalanine Peptoid-modified Collagen Triple Helix | | Descriptor: | Collagen mimetic peptide with N-Phenylalanine guest | | Authors: | Yu, M.S, Whitby, F.G, Hill, C.P, Kessler, J.L, Yang, L.D. | | Deposit date: | 2020-08-26 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Peptoid Residues Make Diverse, Hyperstable Collagen Triple-Helices
J.Am.Chem.Soc., 143, 2021
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5O4V
 | | P.vivax NMT with aminomethylindazole and quinoline inhibitors bound | | Descriptor: | 1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, 2-oxopentadecyl-CoA, CHLORIDE ION, ... | | Authors: | Brannigan, J.A, Wilkinson, A.J. | | Deposit date: | 2017-05-31 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
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3NAR
 | | Crystal structure of ZHX1 HD4 (zinc-fingers and homeoboxes protein 1, homeodomain 4) | | Descriptor: | SULFATE ION, Zinc fingers and homeoboxes protein 1 | | Authors: | Ren, J, Bird, L.E, Owens, R.J, Stammers, D.K, Oxford Protein Production Facility (OPPF) | | Deposit date: | 2010-06-02 | | Release date: | 2010-07-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Novel structural features in two ZHX homeodomains derived from a systematic study of single and multiple domains
Bmc Struct.Biol., 10, 2010
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6C6H
 | | Structure of glycolipid aGSA[8,P5m] in complex with mouse CD1d | | Descriptor: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(3-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2H-pyran-2-yl]oxy}octanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | | Authors: | Zajonc, D.M, Wang, J. | | Deposit date: | 2018-01-18 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
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6CXE
 | | Structure of alpha-GSA[26,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | | Authors: | Wang, J, Zajonc, D. | | Deposit date: | 2018-04-02 | | Release date: | 2019-04-10 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
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5W43
 | | Structure of the two-component response regulator RcsB-DNA complex | | Descriptor: | DNA (5'-D(*GP*AP*TP*TP*TP*AP*GP*GP*AP*AP*AP*AP*AP*TP*CP*TP*TP*AP*GP*AP*TP*A)-3'), DNA (5'-D(*TP*AP*TP*CP*TP*AP*AP*GP*AP*TP*TP*TP*TP*TP*CP*CP*TP*AP*AP*AP*TP*C)-3'), Transcriptional regulatory protein RcsB | | Authors: | Filippova, E.V, Warwzak, Z, Pshenychnyi, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-06-09 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural Basis for DNA Recognition by the Two-Component Response Regulator RcsB.
MBio, 9, 2018
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3T9Q
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4X7I
 | | Crystal Structure of BACE with amino thiazine inhibitor LY2886721 | | Descriptor: | Beta-secretase 1, GLYCEROL, N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | | Authors: | Timm, D.E. | | Deposit date: | 2014-12-09 | | Release date: | 2014-12-24 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The Potent BACE1 Inhibitor LY2886721 Elicits Robust Central A beta Pharmacodynamic Responses in Mice, Dogs, and Humans.
J.Neurosci., 35, 2015
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