1WKW
 
 | | Crystal structure of the ternary complex of eIF4E-m7GpppA-4EBP1 peptide | | Descriptor: | Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E binding protein 1, P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE | | Authors: | Tomoo, K, Matsushita, Y, Fujisaki, H, Shen, X, Miyagawa, H, Kitamura, K, Miura, K, Ishida, T. | | Deposit date: | 2004-06-10 | | Release date: | 2005-06-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for mRNA Cap-Binding regulation of eukaryotic initiation factor 4E by 4E-binding protein, studied by spectroscopic, X-ray crystal structural, and molecular dynamics simulation methods
Biochim.Biophys.Acta, 1753, 2005
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4EWE
 | | Study on structure and function relationships in human Pirin with Manganese ion | | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, Pirin | | Authors: | Liu, F, Rehmani, I, Fu, R, Esaka, S, Chen, L, Serrano, V, Liu, A. | | Deposit date: | 2012-04-26 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Pirin is an iron-dependent redox regulator of NF-kappa B.
Proc.Natl.Acad.Sci.USA, 110, 2013
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5IV4
 | | Crystal structure of the human soluble adenylyl cyclase in complex with the allosteric inhibitor LRE1 | | Descriptor: | 1,2-ETHANEDIOL, 6-chloro-N~4~-cyclopropyl-N~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine, ACETATE ION, ... | | Authors: | Kleinboelting, S, Steegborn, C. | | Deposit date: | 2016-03-18 | | Release date: | 2016-08-17 | | Last modified: | 2022-11-30 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of LRE1 as a specific and allosteric inhibitor of soluble adenylyl cyclase.
Nat.Chem.Biol., 12, 2016
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4EEV
 | | Crystal structure of c-Met in complex with LY2801653 | | Descriptor: | Hepatocyte growth factor receptor, N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide | | Authors: | Wang, Y, Stout, S.L. | | Deposit date: | 2012-03-28 | | Release date: | 2013-04-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | LY2801653 is an orally bioavailable multi-kinase inhibitor with potent activity against MET, MST1R, and other oncoproteins, and displays anti-tumor activities in mouse xenograft models.
Invest New Drugs, 31, 2013
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4EWD
 | | Study on structure and function relationships in human Pirin with Mn ion | | Descriptor: | MANGANESE (II) ION, Pirin | | Authors: | Liu, F, Rehmani, I, Chen, L, Fu, R, Serrano, V, Wilson, D.W, Liu, A. | | Deposit date: | 2012-04-26 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Pirin is an iron-dependent redox regulator of NF-kappa B.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4EEH
 | | Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 3-(4-Hydroxy-phenyl)-1H-indazol-6-ol | | Descriptor: | 3-(4-hydroxyphenyl)-1H-indazol-6-ol, Heat shock protein HSP 90-alpha, SULFATE ION | | Authors: | Musil, D, Lehmann, M, Graedler, U, Buchstaller, H.-P. | | Deposit date: | 2012-03-28 | | Release date: | 2012-06-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fragment-based discovery of hydroxy-indazole-carboxamides as novel small molecule inhibitors of Hsp90
Bioorg.Med.Chem.Lett., 22, 2012
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4EFT
 | | Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 3-Cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)-propionitrile | | Descriptor: | (2R)-3-cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)propanenitrile, Heat shock protein HSP 90-alpha | | Authors: | Musil, D, Lehmann, M, Graedler, U, Buchstaller, H.-P. | | Deposit date: | 2012-03-30 | | Release date: | 2012-06-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Fragment-based discovery of hydroxy-indazole-carboxamides as novel small molecule inhibitors of Hsp90
Bioorg.Med.Chem.Lett., 22, 2012
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5IV3
 | | Crystal structure of human soluble adenylyl cyclase in complex with alpha,beta-methyleneadenosine-5'-triphosphate and the allosteric inhibitor LRE1 | | Descriptor: | 1,2-ETHANEDIOL, 6-chloro-N~4~-cyclopropyl-N~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine, ACETATE ION, ... | | Authors: | Kleinboelting, S, Steegborn, C. | | Deposit date: | 2016-03-18 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Discovery of LRE1 as a specific and allosteric inhibitor of soluble adenylyl cyclase.
Nat.Chem.Biol., 12, 2016
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4EO0
 | | crystal structure of the pilus binding domain of the filamentous phage IKe | | Descriptor: | Attachment protein G3P | | Authors: | Jakob, R.P, Geitner, A.J, Weininger, U, Balbach, J, Dobbek, H, Schmid, F.X. | | Deposit date: | 2012-04-13 | | Release date: | 2012-05-30 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structural and energetic basis of infection by the filamentous bacteriophage IKe.
Mol.Microbiol., 84, 2012
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4DER
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4DGN
 | | Crystal Structure of maize CK2 in complex with the inhibitor luteolin | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Casein kinase II subunit alpha | | Authors: | Lolli, G, Mazzorana, M, Battistutta, R. | | Deposit date: | 2012-01-26 | | Release date: | 2012-08-01 | | Last modified: | 2013-01-02 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Inhibition of protein kinase CK2 by flavonoids and tyrphostins. A structural insight.
Biochemistry, 51, 2012
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4DW6
 | | Novel N-phenyl-phenoxyacetamide derivatives as potential EthR inhibitors and ethionamide boosters. Discovery and optimization using High-Throughput Synthesis. | | Descriptor: | AMMONIUM ION, GLYCEROL, HTH-type transcriptional regulator EthR, ... | | Authors: | Flipo, M, Willand, N, Lecat-Guillet, N, Hounsou, C, Desroses, M, Leroux, F, Lens, Z, Villeret, V, Wohlkonig, A, Wintjens, R, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, Baulard, A.R, Deprez, B. | | Deposit date: | 2012-02-24 | | Release date: | 2013-03-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis.
J.Med.Chem., 55, 2012
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4E3I
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4E0M
 | | SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form I) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN), PHOSPHATE ION | | Authors: | Zhao, M, Liu, C, Michael, S.R, Eisenberg, D. | | Deposit date: | 2012-03-04 | | Release date: | 2013-02-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Out-of-register beta-sheets suggest a pathway
to toxic amyloid aggregates
Proc.Natl.Acad.Sci.USA, 109, 2012
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5FBE
 | | COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND2 | | Descriptor: | Complement factor D, GLYCEROL, methyl 2-[[[(2~{S})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate | | Authors: | Ostermann, N, Zink, F. | | Deposit date: | 2015-12-14 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
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4E0L
 | | FYLLYYT segment from human Beta 2 Microglobulin (62-68) displayed on 54-membered macrocycle scaffold | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide FYLLYYT(ORN)KN(HAO)SA(ORN) | | Authors: | Zhao, M, Liu, C, Michael, S.R, Eisenberg, D. | | Deposit date: | 2012-03-04 | | Release date: | 2012-12-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4E3J
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4DT2
 | | Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment CC27209 | | Descriptor: | (2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Feder, D, Hussein, W.M, Clayton, D.J, Kan, M, Schenk, G, McGeary, R.P, Guddat, L.W. | | Deposit date: | 2012-02-20 | | Release date: | 2012-09-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
Chem.Biol.Drug Des., 80, 2012
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4D9L
 | | Fab structure of anti-HIV-1 gp120 V2 mAb 697 | | Descriptor: | Heavy chain of Fab fragment of anti-HIV1 gp120 V2 mAb 697, Light chain of Fab fragment of anti-HIV1 gp120 V2 mAb 697 | | Authors: | Pan, R.M, Kong, X.P. | | Deposit date: | 2012-01-11 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.485 Å) | | Cite: | Functional and immunochemical cross-reactivity of V2-specific monoclonal antibodies from HIV-1-infected individuals.
Virology, 427, 2012
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8RGI
 | | Structure of DYNLT1:DYNLT2B (TCTEX1:TCTEX1D2) heterodimer. | | Descriptor: | Dynein light chain Tctex-type 1, Dynein light chain Tctex-type protein 2B | | Authors: | Mukhopadhyay, A.G, Toropova, K, Daly, L, Wells, J, Vuolo, L, Seda, M, Jenkins, D, Stephens, D.J, Roberts, A.J. | | Deposit date: | 2023-12-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structure and tethering mechanism of dynein-2 intermediate chains in intraflagellar transport.
Embo J., 43, 2024
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5GW6
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5FBI
 | | COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 3b | | Descriptor: | 3-[(2-aminocarbonyl-1~{H}-indol-5-yl)oxymethyl]benzoic acid, Complement factor D, GLYCEROL | | Authors: | Ostermann, N, Zink, F. | | Deposit date: | 2015-12-14 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
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4ESI
 | | Structure of ricin A chain bound with N-((1H-1,2,3-triazol-4-yl)methyl-2-amino-4-oxo-3,4-dihydropteridine-7-carboxamide | | Descriptor: | 2-amino-4-oxo-N-(1H-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide, Ricin | | Authors: | Jasheway, K.R, Pruet, J.M, Ryoto, S, Manzano, L.A, Wiget, P.A, Kamat, I, Anslyn, E.V, Monzingo, A.F, Robertus, J.D. | | Deposit date: | 2012-04-23 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Optimized 5-membered heterocycle-linked pterins for the inhibition of Ricin Toxin A.
ACS Med Chem Lett, 3, 2012
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5G05
 | | Cryo-EM structure of combined apo phosphorylated APC | | Descriptor: | ANAPHASE-PROMOTING COMPLEX SUBUNIT 1, ANAPHASE-PROMOTING COMPLEX SUBUNIT 10, ANAPHASE-PROMOTING COMPLEX SUBUNIT 11, ... | | Authors: | Zhang, S, Chang, L, Alfieri, C, Zhang, Z, Yang, J, Maslen, S, Skehel, M, Barford, D. | | Deposit date: | 2016-03-16 | | Release date: | 2016-05-25 | | Last modified: | 2019-09-11 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Molecular Mechanism of Apc/C Activation by Mitotic Phosphorylation.
Nature, 533, 2016
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5FCK
 | | COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 5 | | Descriptor: | 1-[2-[(1~{R},3~{S},5~{R})-3-[[(1~{R})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide, Complement factor D, SULFATE ION | | Authors: | Mac Sweeney, A. | | Deposit date: | 2015-12-15 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
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