6S5U
 
 | | Strictosidine Synthase from Ophiorrhiza pumila in complex with N-[2-(1H-Indol-3-yl)ethyl]-3-methyl-1-butanamine | | Descriptor: | Strictosidine synthase, ~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-butan-1-amine | | Authors: | Eger, E, Sharma, M, Kroutil, W, Grogan, G. | | Deposit date: | 2019-07-02 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions.
J.Am.Chem.Soc., 142, 2020
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8FXJ
 | | Crystal structure of Fab460 | | Descriptor: | ACETATE ION, CHLORIDE ION, Fab460, ... | | Authors: | Tan, K, Kim, M, Reinherz, E.L. | | Deposit date: | 2023-01-24 | | Release date: | 2023-10-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility.
Nat Commun, 14, 2023
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7A4W
 | | Structure of DYRK1A in complex with compound 3 | | Descriptor: | 6-(4-methoxyphenyl)pyrimidine-2,4-diamine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | | Deposit date: | 2020-08-20 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
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5ER4
 | | Crystal Structure of Calcium-loaded S100B bound to SC0025 | | Descriptor: | 6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Melville, Z.E, Aligholizadeh, E, Fang, L, Alasady, M.J, Pierce, A.D, Wilder, P.T, MacKerell Jr, A.D, Weber, D.J. | | Deposit date: | 2015-11-13 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.813 Å) | | Cite: | Novel protein-inhibitor interactions in site 3 of Ca(2+)-bound S100B as discovered by X-ray crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
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7A5B
 | | Structure of DYRK1A in complex with complex 10 | | Descriptor: | 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | | Deposit date: | 2020-08-20 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
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7A5D
 | | Structure of DYRK1A in complex with compound 16 | | Descriptor: | 4-azanyl-2-methyl-6-pyridin-3-yl-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | | Deposit date: | 2020-08-21 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
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6UTL
 | | Yeast Thiol Specific antoxidant 2 with C171S mutation and catalytic cysteine alkylated with iodoacetamide | | Descriptor: | Peroxiredoxin TSA2 | | Authors: | Tairum, C.A, Bannitz-Fernandes, R, Tonoli, C.C.C, Murakami, M.T, de Oliveira, M.A, Netto, L.E.S. | | Deposit date: | 2019-10-29 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Reduction of sulfenic acids by ascorbate in proteins, connecting thiol-dependent to alternative redox pathways.
Free Radic Biol Med, 156, 2020
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8F9S
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3IO8
 | | BimL12F in complex with Bcl-xL | | Descriptor: | Bcl-2-like protein 1, Bcl-2-like protein 11, ZINC ION | | Authors: | Colman, P.M, Lee, E.F, Fairlie, W.D, Smith, B.J, Czabotar, P.E, Yang, H, Sleebs, B.E, Lessene, G. | | Deposit date: | 2009-08-14 | | Release date: | 2009-09-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands.
J.Biol.Chem., 284, 2009
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8F9T
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8FA7
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6V11
 | | Lon Protease from Yersinia pestis | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease | | Authors: | Shin, M, Puchades, C, Asmita, A, Puri, N, Adjei, E, Wiseman, R.L, Karzai, A.W, Lander, G.C. | | Deposit date: | 2019-11-19 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis for distinct operational modes and protease activation in AAA+ protease Lon.
Sci Adv, 6, 2020
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8FB7
 | | Crystal structure of Ky15.10 Fab in complex with circumsporozoite protein NPDP peptide | | Descriptor: | 1,2-ETHANEDIOL, Circumsporozoite protein NPDP peptide, Ky15.10 Antibody, ... | | Authors: | Prieto, K, Thai, E, Julien, J.P. | | Deposit date: | 2022-11-29 | | Release date: | 2023-11-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein.
Cell Rep, 42, 2023
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8FA6
 | | Crystal structure of Ky15.10 Fab in complex with circumsporozoite protein DND peptide | | Descriptor: | 1,2-ETHANEDIOL, Circumsporozoite protein DND peptide, Ky15.10 Antibody, ... | | Authors: | Thai, E, Prieto, K, Julien, J.P. | | Deposit date: | 2022-11-25 | | Release date: | 2023-11-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein.
Cell Rep, 42, 2023
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4XBZ
 | | Crystal Structure of EvdO1 from Micromonospora carbonacea var. aurantiaca | | Descriptor: | EvdO1, GLYCEROL, NICKEL (II) ION | | Authors: | McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M. | | Deposit date: | 2014-12-17 | | Release date: | 2015-08-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
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8FA9
 | | Crystal structure of Ky15.5 Fab in complex with circumsporozoite protein NPDP peptide | | Descriptor: | Circumsporozoite protein NPDP peptide, Ky15.5 Antibody, heavy chain, ... | | Authors: | Thai, E, Prieto, K, Julien, J.P. | | Deposit date: | 2022-11-25 | | Release date: | 2023-11-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein.
Cell Rep, 42, 2023
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8FB6
 | | Crystal structure of Ky15.10 Fab in complex with circumsporozoite protein KQPA peptide | | Descriptor: | 1,2-ETHANEDIOL, Circumsporozoite protein KQPA peptide, Ky15.10 Antibody, ... | | Authors: | Prieto, K, Thai, E, Julien, J.P. | | Deposit date: | 2022-11-29 | | Release date: | 2023-11-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein.
Cell Rep, 42, 2023
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8FB8
 | | Crystal structure of Ky15.10-Y100EK Fab in complex with circumsporozoite protein KQPA peptide | | Descriptor: | Circumsporozoite protein KQPA peptide, GLYCEROL, Ky15.10-YK Antibody, ... | | Authors: | Kang, R.W, Thai, E, Julien, J.P. | | Deposit date: | 2022-11-29 | | Release date: | 2023-11-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein.
Cell Rep, 42, 2023
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6RLP
 | | Cryo-EM reconstruction of TMV coat protein | | Descriptor: | Capsid protein, RNA (5'-R(P*GP*AP*A)-3') | | Authors: | Kandiah, E, Effantin, G. | | Deposit date: | 2019-05-02 | | Release date: | 2022-11-23 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | CM01: a facility for cryo-electron microscopy at the European Synchrotron.
Acta Crystallogr D Struct Biol, 75, 2019
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8F9U
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8FA8
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8FAS
 | | Crystal structure of Ky230 Fab in complex with circumsporozoite protein NANP5 peptide | | Descriptor: | 1,2-ETHANEDIOL, Circumsporozoite protein NANP5 peptide, Ky230 Antibody, ... | | Authors: | Kassardjian, A, Thai, E, Julien, J.P. | | Deposit date: | 2022-11-28 | | Release date: | 2023-11-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein.
Cell Rep, 42, 2023
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8A7O
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8A7T
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3E40
 | | Q138F HincII bound to GTTAAC and cocrystallized with 5 mM Ca2+ | | Descriptor: | 5'-D(*DGP*DCP*DCP*DGP*DGP*DTP*DP*DAP*DAP*DCP*DCP*DGP*DGP*DC)-3'), CALCIUM ION, SODIUM ION, ... | | Authors: | Horton, N.C, Babic, A.C, Little, E.J, Manohar, V.M. | | Deposit date: | 2008-08-08 | | Release date: | 2008-08-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | DNA distortion and specificity in a sequence-specific endonuclease.
J.Mol.Biol., 383, 2008
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