4PX6
 
 | | SYK catalytic domain in complex with a potent pyridopyrimidinone inhibitor | | Descriptor: | 7-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-one, Tyrosine-protein kinase SYK | | Authors: | Lee, C.C. | | Deposit date: | 2014-03-21 | | Release date: | 2014-04-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Syk inhibitors with high potency in presence of blood.
Bioorg.Med.Chem.Lett., 24, 2014
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4HOR
 | | Crystal Structure of Full-Length Human IFIT5 with 5`-triphosphate Oligocytidine | | Descriptor: | Interferon-induced protein with tetratricopeptide repeats 5, MAGNESIUM ION, RNA (5'-R(*(CTP)P*CP*CP*CP*C)-3') | | Authors: | Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B. | | Deposit date: | 2012-10-22 | | Release date: | 2013-01-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.861 Å) | | Cite: | Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins.
Nature, 494, 2013
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4QAC
 | | X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(4-methylpiperidin-1-yl)-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine, Acetylcholine-binding protein, ... | | Authors: | Kaczanowska, K, Harel, M, Radic, Z, Changeux, J.-P, Finn, M.G, Taylor, P. | | Deposit date: | 2014-05-03 | | Release date: | 2014-07-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6RRC
 | | Crystal structure of the N-terminal region of human cohesin subunit STAG1 in complex with RAD21 peptide | | Descriptor: | Cohesin subunit SA-1, Double-strand-break repair protein rad21 homolog, SULFATE ION | | Authors: | Newman, J.A, Katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-05-17 | | Release date: | 2019-06-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers.
Life Sci Alliance, 3, 2020
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4HR3
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6RUM
 | | Crystal structure of GFP-LAMA-G97 - a GFP enhancer nanobody with cpDHFR insertion and TMP and NADPH | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GFP-LAMA-G97 a GFP enhancer nanobody with cpDHFR insertion, ... | | Authors: | Farrants, H, Tarnawski, M, Mueller, T.G, Otsuka, S, Hiblot, J, Koch, B, Kueblbeck, M, Kraeusslich, H.-G, Ellenberg, J, Johnsson, K. | | Deposit date: | 2019-05-28 | | Release date: | 2020-02-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Chemogenetic Control of Nanobodies.
Nat.Methods, 17, 2020
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4HS6
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4HOU
 | | Crystal Structure of N-terminal Human IFIT1 | | Descriptor: | Interferon-induced protein with tetratricopeptide repeats 1 | | Authors: | Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B. | | Deposit date: | 2012-10-22 | | Release date: | 2013-01-30 | | Last modified: | 2013-02-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins.
Nature, 494, 2013
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4PYV
 | | Crystal structure of renin in complex with compound4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Renin, ... | | Authors: | Ostermann, N, Zink, F. | | Deposit date: | 2014-03-28 | | Release date: | 2014-10-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors.
ACS Med Chem Lett, 5, 2014
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4Q1N
 | | Structure-based design of 4-hydroxy-3,5-substituted piperidines as direct renin inhibitors | | Descriptor: | (3S,4R,5R)-N-cyclopropyl-N'-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-N-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Schiering, N, D'Arcy, A, Irie, O, Yokokawa, F. | | Deposit date: | 2014-04-04 | | Release date: | 2014-08-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors.
ACS Med Chem Lett, 5, 2014
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4MFK
 | | The crystal structure of acyltransferase in complex with decanoyl-CoA | | Descriptor: | Putative uncharacterized protein tcp24, SULFATE ION, decanoyl-CoA | | 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 (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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4Q38
 | | The crystal structure of acyltransferase in complex with decanoyl-CoA and teicoplanin | | Descriptor: | 2-amino-6-O-decanoyl-2-deoxy-beta-D-glucopyranose, COENZYME A, Putative uncharacterized protein tcp24, ... | | Authors: | Li, T.-L, Lyu, S.-Y, Liu, Y.-C, Chang, C.-Y, Huang, C.-J. | | Deposit date: | 2014-04-11 | | Release date: | 2014-09-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.99 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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4QAA
 | | X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(4-Methoxyphenyl)-N4-octylpyrimidine-2,4-diamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(4-methoxyphenyl)-N~4~-octylpyrimidine-2,4-diamine, Acetylcholine-binding protein, ... | | Authors: | Kaczanowska, K, Harel, M, Radic, Z, Changeux, J.-P, Finn, M.G, Taylor, P. | | Deposit date: | 2014-05-03 | | Release date: | 2014-07-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4HOT
 | | Crystal Structure of Full-Length Human IFIT5 with 5`-triphosphate Oligoadenine | | Descriptor: | Interferon-induced protein with tetratricopeptide repeats 5, MAGNESIUM ION, RNA (5'-R(*(ATP)P*AP*AP*A)-3') | | Authors: | Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B. | | Deposit date: | 2012-10-22 | | Release date: | 2013-01-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins.
Nature, 494, 2013
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4HON
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4HS8
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4Q25
 | | Crystal structure of PhoU from Pseudomonas aeruginosa | | Descriptor: | Phosphate-specific transport system accessory protein PhoU homolog | | Authors: | Lee, S.J, Lee, B.-J, Suh, S.W. | | Deposit date: | 2014-04-07 | | Release date: | 2015-02-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Crystal structure of PhoU from Pseudomonas aeruginosa, a negative regulator of the Pho regulon.
J.Struct.Biol., 188, 2014
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6IIL
 | | USP14 catalytic domain bind to IU1-47 | | Descriptor: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14 | | Authors: | Mei, Z.Q, Wang, Y.W, Wang, F, Wang, J.W, He, W, Ding, S, Li, J.W. | | Deposit date: | 2018-10-07 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
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2YAS
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4HOS
 | | Crystal Structure of Full-Length Human IFIT5 with 5`-triphosphate Oligouridine | | Descriptor: | Interferon-induced protein with tetratricopeptide repeats 5, RNA (5'-R(*(UTP)P*UP*UP*U)-3'), SODIUM ION | | Authors: | Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B. | | Deposit date: | 2012-10-22 | | Release date: | 2013-01-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins.
Nature, 494, 2013
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4Q49
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3TED
 | | Crystal structure of the Chd1 DNA-binding domain in complex with a DNA duplex | | Descriptor: | 5'-D(*CP*CP*AP*TP*AP*TP*AP*TP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*TP*AP*TP*AP*TP*AP*TP*GP*G)-3', Chromo domain-containing protein 1 | | Authors: | Sharma, A, Jenkins, K.R, Heroux, A, Bowman, G.D. | | Deposit date: | 2011-08-12 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | DNA-binding domain of Chd1 in complex with a DNA duplex
J.Biol.Chem., 2011
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4Q36
 | | The crystal structure of acyltransferase in complex with octanoyl-CoA and teicoplanin | | Descriptor: | 2-amino-2-deoxy-beta-D-glucopyranose, OCTANOYL-COENZYME A, Putative uncharacterized protein tcp24, ... | | Authors: | Li, T.-L, Lyu, S.-Y, Liu, Y.-C, Chang, C.-Y, Huang, C.-J. | | Deposit date: | 2014-04-11 | | Release date: | 2014-09-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.35 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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6SCO
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6SGK
 | | Nek2 kinase bound to inhibitor 102 | | Descriptor: | 2-phenylazanyl-9~{H}-purine-6-carbonitrile, Serine/threonine-protein kinase Nek2 | | Authors: | Richards, M.W, Mas-Droux, C.P, Bayliss, R. | | Deposit date: | 2019-08-05 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase.
Rsc Med Chem, 11, 2020
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