7O2V
 
 | | AURORA KINASE A IN COMPLEX WITH THE AUR-A/PDK1 INHIBITOR VI8 | | Descriptor: | 1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N}-[(1~{R})-2-[[(3~{E})-3-(1~{H}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{H}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide, Aurora kinase A | | Authors: | Garau, G. | | Deposit date: | 2021-03-31 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
Eur.J.Med.Chem., 226, 2021
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2D2C
 | | Crystal Structure Of Cytochrome B6F Complex with DBMIB From M. Laminosus | | Descriptor: | (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 2,5-DIBROMO-3-ISOPROPYL-6-METHYLBENZO-1,4-QUINONE, Apocytochrome f, ... | | Authors: | Yan, J, Kurisu, G, Cramer, W.A. | | Deposit date: | 2005-09-07 | | Release date: | 2005-12-13 | | Last modified: | 2014-02-26 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Intraprotein transfer of the quinone analogue inhibitor 2,5-dibromo-3-methyl-6-isopropyl-p-benzoquinone in the cytochrome b6f complex
Proc.Natl.Acad.Sci.USA, 103, 2006
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7OEI
 | | Crystal structure of the human METTL3-METTL14 complex with compound UOZ083 | | Descriptor: | (3~{R})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{H}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | | Deposit date: | 2021-05-03 | | Release date: | 2021-10-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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5AR1
 | | Crystal structure of Cdc11 from Saccharomyces cerevisiae | | Descriptor: | CELL DIVISION CONTROL PROTEIN 11 | | Authors: | Brausemann, A, Gerhardt, S, Schott, A.K, Einsle, O, Grosse-Berkenbusch, A, Johnsson, N, Gronemeyer, T. | | Deposit date: | 2015-09-23 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal Structure of Cdc11, a Septin Subunit from Saccharomyces Cerevisiae.
J.Struct.Biol., 193, 2016
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2ZQJ
 | | Substrate-Free Form of Cytochrome P450BSbeta | | Descriptor: | Cytochrome P450 152A1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Shoji, O, Fujishiro, T, Nagano, S, Hirose, T, Shiro, Y, Watanabe, Y. | | Deposit date: | 2008-08-11 | | Release date: | 2009-09-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Understanding substrate misrecognition of hydrogen peroxide dependent cytochrome P450 from Bacillus subtilis.
J.Biol.Inorg.Chem., 2010
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6VK9
 | | Cryo-EM structure of PilA-N/C from Geobacter sulfurreducens | | Descriptor: | Geopilin domain 1 protein, Geopilin domain 2 protein | | Authors: | Gu, Y, Srikanth, V, Malvankar, N.S, Samatey, F.A. | | Deposit date: | 2020-01-19 | | Release date: | 2021-07-07 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of Geobacter pili reveals secretory rather than nanowire behaviour
Nature, 597, 2021
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5XDS
 | | Crystal structure of Mycobacterium tuberculosis HisB bound with an inhibitor | | Descriptor: | (2S)-2-azanyl-3-(4H-1,2,4-triazol-3-yl)propanoic acid, CHLORIDE ION, Imidazoleglycerol-phosphate dehydratase, ... | | Authors: | Kumar, D, Jha, B, Ahangar, M.S, Kumar, B.B. | | Deposit date: | 2017-03-29 | | Release date: | 2018-04-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Characterization of a triazole scaffold compound as an inhibitor of Mycobacterium tuberculosis imidazoleglycerol-phosphate dehydratase.
Proteins, 2021
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7OED
 | | Crystal structure of the human METTL3-METTL14 complex with compound UOZ019a | | Descriptor: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | | Deposit date: | 2021-05-03 | | Release date: | 2021-10-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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6WBC
 | | Structure of Mouse Importin alpha- MLH1-R472K NLS Peptide Complex | | Descriptor: | DNA mismatch repair protein Mlh1, Importin subunit alpha-1 | | Authors: | de Barros, A.C, da Silva, T.D, Oliveira, H.C, Fukuda, C.A, Fontes, M.R.M. | | Deposit date: | 2020-03-26 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and calorimetric studies reveal specific determinants for the binding of a high-affinity NLS to mammalian importin-alpha.
Biochem.J., 478, 2021
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2VQG
 | | Crystal structure of PorB from Corynebacterium glutamicum (crystal form I) | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-1-ol, ACETATE ION, ... | | Authors: | Ziegler, K, Benz, R, Schulz, G.E. | | Deposit date: | 2008-03-15 | | Release date: | 2008-05-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | A Putative Alpha-Helical Porin from Corynebacterium Glutamicum.
J.Mol.Biol., 379, 2008
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4GM8
 | | Crystal structure of human WD repeat domain 5 with compound MM-102 | | Descriptor: | MM-102, WD repeat-containing protein 5 | | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | | Deposit date: | 2012-08-15 | | Release date: | 2013-07-31 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction.
J.Am.Chem.Soc., 135, 2013
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7OEJ
 | | Crystal structure of the human METTL3-METTL14 complex with compound UOZ090 | | Descriptor: | 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3R)-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | | Deposit date: | 2021-05-03 | | Release date: | 2021-10-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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5B42
 | | Crystal structure of the C-terminal endonuclease domain of Aquifex aeolicus MutL. | | Descriptor: | CADMIUM ION, DI(HYDROXYETHYL)ETHER, DNA mismatch repair protein MutL | | Authors: | Fukui, K, Baba, S, Kumasaka, T, Yano, T. | | Deposit date: | 2016-03-30 | | Release date: | 2016-07-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural Features and Functional Dependency on beta-Clamp Define Distinct Subfamilies of Bacterial Mismatch Repair Endonuclease MutL
J.Biol.Chem., 291, 2016
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4XKV
 | | Tailspike protein mutant D339N of E. coli bacteriophage HK620 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ... | | Authors: | Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S. | | Deposit date: | 2015-01-12 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
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4OSH
 | | Crystal structure of the TAL effector dHax3 with NI RVD at 2.2 angstrom resolution | | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3 | | Authors: | Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N. | | Deposit date: | 2014-02-13 | | Release date: | 2014-05-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Revisiting the TALE repeat
Protein Cell, 5, 2014
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1PCN
 | | SOLUTION STRUCTURE OF PORCINE PANCREATIC PROCOLIPASE AS DETERMINED FROM 1H HOMONUCLEAR TWO-AND THREE-DIMENSIONAL NMR | | Descriptor: | PORCINE PANCREATIC PROCOLIPASE B | | Authors: | Breg, J.N, Sarda, L, Cozzone, P.J, Rugani, N, Boelens, R, Kaptein, R. | | Deposit date: | 1994-06-08 | | Release date: | 1994-12-20 | | Last modified: | 2024-09-25 | | Method: | SOLUTION NMR | | Cite: | Solution structure of porcine pancreatic procolipase as determined from 1H homonuclear two-dimensional and three-dimensional NMR.
Eur.J.Biochem., 227, 1995
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4XHV
 | | Crystal structure of Drosophila Spinophilin-PDZ and a C-terminal peptide of Neurexin | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, LP20995p, ... | | Authors: | Driller, J.H, Muhammad, K.G.H, Reddy, S, Rey, U, Boehme, M.A, Hollmann, C, Ramesh, N, Depner, H, Luetzkendorf, J, Matkovic, T, Bergeron, D, Quentin, C, Schmoranzer, J, Goettfert, F, Holt, M, Wahl, M.C, Hell, S.W, Walter, A, Sigrist, S.J, Loll, B. | | Deposit date: | 2015-01-06 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Presynaptic spinophilin tunes neurexin signalling to control active zone architecture and function.
Nat Commun, 6, 2015
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6VTO
 | | Crystal structure of human Galectin-7 in complex with 4-O-beta-D-Galactopyranosyl-D-glucose | | Descriptor: | (2~{R},3~{R},4~{R},5~{R})-4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5, 6-tetrakis(oxidanyl)hexanal, Galectin-7 | | Authors: | Pham, N.T.H, Calmettes, C, Doucet, N. | | Deposit date: | 2020-02-13 | | Release date: | 2021-08-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Perturbing dimer interactions and allosteric communication modulates the immunosuppressive activity of human galectin-7.
J.Biol.Chem., 297, 2021
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5AP1
 | | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | | Descriptor: | 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, DUAL SPECIFICITY PROTEIN KINASE TTK, GLYCEROL, ... | | Authors: | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S. | | Deposit date: | 2015-09-14 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
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7OEH
 | | Crystal structure of the human METTL3-METTL14 complex with compound UOZ059b | | Descriptor: | 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3S)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | | Deposit date: | 2021-05-03 | | Release date: | 2021-10-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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6VTP
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6VTS
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2N3W
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2WBT
 | | The Structure of a Double C2H2 Zinc Finger Protein from a Hyperthermophilic Archaeal Virus in the Absence of DNA | | Descriptor: | B-129, ZINC ION | | Authors: | Eilers, B.J, Menon, S, Windham, A.B, Kraft, P, Dlakic, M, Young, M.J, Lawrence, C.M. | | Deposit date: | 2009-03-03 | | Release date: | 2010-03-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Structure of a Double C2H2 Zinc Finger Protein from a Hyperthermophilic Archaeal Virus in the Absence of DNA
To be Published
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7OEG
 | | Crystal structure of the human METTL3-METTL14 complex with compound UOZ040b | | Descriptor: | (R)-4-((2-azaspiro[3.3]heptan-2-yl)methyl)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | | Deposit date: | 2021-05-03 | | Release date: | 2021-10-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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