5UCD
 
 | | Benzaldehyde Dehydrogenase, a Class 3 Aldehyde Dehydrogenase, with bound NADP+ and Benzoate Adduct | | Descriptor: | NAD(P)-dependent benzaldehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zahniser, M.P.D, Prasad, S, Kneen, M.M, Kreinbring, C.A, Petsko, G.A, Ringe, D, McLeish, M.J. | | Deposit date: | 2016-12-22 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structure and mechanism of benzaldehyde dehydrogenase from Pseudomonas putida ATCC 12633, a member of the Class 3 aldehyde dehydrogenase superfamily.
Protein Eng. Des. Sel., 30, 2017
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1UHR
 | | Solution structure of the SWIB domain of mouse BRG1-associated factor 60a | | Descriptor: | SWI/SNF related, matrix associated, actin dependent regulator of chromatin subfamily D member 1 | | Authors: | Yamada, K, Saito, K, Nameki, N, Inoue, M, Koshiba, S, Shirouzu, M, Terada, T, Yabuki, T, Aoki, M, Matsuda, T, Seki, E, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-07-09 | | Release date: | 2004-08-24 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the SWIB domain of mouse BRG1-associated factor 60a
To be Published
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7QTD
 | | Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 in complex with iron and alpha-ketoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, ACETATE ION, FE (II) ION, ... | | Authors: | Lukat, P, Daum, M, Bechthold, A, Einsle, O. | | Deposit date: | 2022-01-14 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071
Thesis, 2011
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5UGK
 | | Zinc-Binding Structure of a Catalytic Amyloid from Solid-State NMR Spectroscopy | | Descriptor: | ILE-HIS-VAL-HIS-LEU-GLN-ILE, ZINC ION | | Authors: | Lee, M, Wang, T, Makhlynets, O.V, Wu, Y, Polizzi, N, Wu, H, Gosavi, P.M, Korendovych, I.V, DeGrado, W.F, Hong, M. | | Deposit date: | 2017-01-09 | | Release date: | 2017-05-31 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Zinc-binding structure of a catalytic amyloid from solid-state NMR.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1UHW
 | | Solution structure of the DEP domain of mouse pleckstrin | | Descriptor: | Pleckstrin | | Authors: | Inoue, K, Yoshida, M, Hatta, R, Hayashi, F, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Tanaka, A, Osanai, T, Matsuo, Y, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-07-11 | | Release date: | 2004-01-11 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the DEP domain of mouse pleckstrin
To be Published
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3FRV
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1UIS
 | | The 2.0 crystal structure of eqFP611, a far-red fluorescent protein from the sea anemone Entacmaea quadricolor | | Descriptor: | ACETIC ACID, CALCIUM ION, red fluorescent protein FP611 | | Authors: | Petersen, J, Wilmann, P.G, Beddoe, T, Oakley, A.J, Devenish, R.J, Prescott, M, Rossjohn, J. | | Deposit date: | 2003-07-21 | | Release date: | 2003-10-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The 2.0A crystal structure of eqFP611, a far-red fluorescent protein from the sea anemone Entacmaea quadricolor
J.Biol.Chem., 278, 2003
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7QUO
 | | FimH lectin domain in complex with oligomannose-6 | | Descriptor: | FimH, NICKEL (II) ION, SULFATE ION, ... | | Authors: | Bouckaert, J, Bourenkov, G.P. | | Deposit date: | 2022-01-18 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors
J.Biol.Chem., 299, 2023
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1UNC
 | | Solution structure of the human villin C-terminal headpiece subdomain | | Descriptor: | VILLIN 1 | | Authors: | Vermeulen, W, Van Troys, M, Vanhaesebrouck, P, Verschueren, M, Fant, F, Ampe, C, Martins, J, Borremans, F. | | Deposit date: | 2003-09-09 | | Release date: | 2004-07-15 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Solution Structures of the C-Terminal Headpiece Subdomains of Human Villin and Advillin, Evaluation of Headpiece F-Actin-Binding Requirements
Protein Sci., 13, 2004
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3FUY
 | | Structure from the mobile metagenome of Cole Harbour Salt Marsh: Integron Cassette Protein HFX_CASS1 | | Descriptor: | Putative integron gene cassette protein, SULFATE ION | | Authors: | Sureshan, V, Deshpande, C.N, Harrop, S.J, Kudrytska, M, Koenig, J.E, Evdokimova, E, Osipiuk, J, Edwards, A, Savchenko, A, Joachimiak, A, Doolittle, W.F, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-01-15 | | Release date: | 2009-02-24 | | Last modified: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Integron gene cassettes: a repository of novel protein folds with distinct interaction sites
Plos One, 8, 2013
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8AHV
 | | Crystal structure of human cathepsin L in complex with calpain inhibitor XII | | Descriptor: | (phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate, 1,2-ETHANEDIOL, Cathepsin L, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2022-07-22 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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2IN8
 | | crystal structure of Mtu recA intein, splicing domain | | Descriptor: | Endonuclease PI-MtuI, SULFATE ION | | Authors: | Van Roey, P. | | Deposit date: | 2006-10-06 | | Release date: | 2007-05-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystallographic and mutational studies of Mycobacterium tuberculosis recA mini-inteins suggest a pivotal role for a highly conserved aspartate residue.
J.Mol.Biol., 367, 2007
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5U86
 | | Structure of the Aquifex aeolicus LpxC/LPC-069 complex | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide, ... | | Authors: | Najeeb, J, Lee, C.-J, Zhou, P. | | Deposit date: | 2016-12-13 | | Release date: | 2017-08-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Curative Treatment of Severe Gram-Negative Bacterial Infections by a New Class of Antibiotics Targeting LpxC.
MBio, 8, 2017
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4DEA
 | | Aurora A in complex with YL1-038-18 | | Descriptor: | 1,2-ETHANEDIOL, 4,4'-(pyrimidine-2,4-diyldiimino)dibenzoic acid, Aurora kinase A | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2012-01-20 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors.
J.Med.Chem., 55, 2012
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4DHR
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | Descriptor: | (2-{2-[(2-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2012-01-30 | | Release date: | 2013-07-31 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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5NE1
 | | L2 class A serine-beta-lactamase in complex with cyclic boronate 2 | | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Beta-lactamase, TRIETHYLENE GLYCOL | | Authors: | Hinchliffe, P, Calvopina, K, Spencer, J. | | Deposit date: | 2017-03-09 | | Release date: | 2017-09-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates.
Mol. Microbiol., 106, 2017
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3FYN
 | | Crystal structure from the mobile metagenome of Cole Harbour Salt Marsh: Integron Cassette Protein HFX_CASS3 | | Descriptor: | ACETATE ION, Integron gene cassette protein HFX_CASS3, MAGNESIUM ION | | Authors: | Sureshan, V, Deshpande, C.N, Harrop, S.J, Kudritska, M, Koenig, J.E, Evdokimova, E, Osipiuk, J, Edwards, A.M, Savchenko, A, Joachimiak, A, Doolittle, W.F, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-01-22 | | Release date: | 2009-02-10 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.449 Å) | | Cite: | Structure from the mobile metagenome of Cole Harbour Salt Marsh: Integron Cassette Protein HFX_CASS3
To be Published
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2IMZ
 | | Crystal structure of Mtu recA intein splicing domain | | Descriptor: | Endonuclease PI-MtuI, ZINC ION | | Authors: | Van Roey, P. | | Deposit date: | 2006-10-05 | | Release date: | 2007-05-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystallographic and mutational studies of Mycobacterium tuberculosis recA mini-inteins suggest a pivotal role for a highly conserved aspartate residue.
J.Mol.Biol., 367, 2007
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8R05
 | | Photorhabdus lamondii ClpP in complex with the natural product beta-lactone inhibitor Cystargolide A at 2.5 A resolution | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, Cystargolide A (bound) | | Authors: | Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Liebhart, E, Kuttenlochner, W, Kulik, A, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H. | | Deposit date: | 2023-10-30 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A.
Angew.Chem.Int.Ed.Engl., 63, 2024
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4DI5
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7QOF
 | | Icosahedral capsid of the phicrAss001 virion | | Descriptor: | Auxiliary capsid protein gp36, Head fiber dimer protein gp29, Head fiber trimer protein gp21, ... | | Authors: | Bayfield, O.W, Shkoporov, A.N, Yutin, N, Khokhlova, E.V, Smith, J.L.R, Hawkins, D.E.D.P, Koonin, E.V, Hill, C, Antson, A.A. | | Deposit date: | 2021-12-24 | | Release date: | 2023-03-29 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Structural atlas of a human gut crassvirus.
Nature, 617, 2023
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7QOH
 | | Unique vertex of the phicrAss001 virion with C5 symmetry imposed | | Descriptor: | Auxiliary capsid protein gp36, Head fiber trimer protein gp21, MAGNESIUM ION, ... | | Authors: | Bayfield, O.W, Shkoporov, A.N, Yutin, N, Khokhlova, E.V, Smith, J.L.R, Hawkins, D.E.D.P, Koonin, E.V, Hill, C, Antson, A.A. | | Deposit date: | 2021-12-24 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Structural atlas of a human gut crassvirus.
Nature, 617, 2023
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8R03
 | | Staphylococcus aureus ClpP in complex with the natural product beta-lactone inhibitor Cystargolide A at 2.0 A resolution | | Descriptor: | 1,2-ETHANEDIOL, ATP-dependent Clp protease proteolytic subunit, Cystargolide A (bound) | | Authors: | Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Liebhart, E, Kuttenlochner, W, Kulik, A, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H. | | Deposit date: | 2023-10-30 | | Release date: | 2023-12-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A.
Angew.Chem.Int.Ed.Engl., 63, 2024
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3E07
 | | Crystal structure of spatzle cystine knot | | Descriptor: | GLYCEROL, Protein spaetzle | | Authors: | Hoffmann, A, Funkner, A, Neumann, P, Juhnke, S, Walther, M, Schierhorn, A, Weininger, U, Balbach, J, Reuter, G, Stubbs, M.T. | | Deposit date: | 2008-07-31 | | Release date: | 2008-09-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Biophysical Characterization of Refolded Drosophila Spatzle, a Cystine Knot Protein, Reveals Distinct Properties of Three Isoforms
J.Biol.Chem., 283, 2008
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7QOJ
 | | Tail barrel assembly of the phicrAss001 virion with C12 symmetry imposed | | Descriptor: | Cargo protein 1 gp45, MAGNESIUM ION, Portal protein gp20, ... | | Authors: | Bayfield, O.W, Shkoporov, A.N, Yutin, N, Khokhlova, E.V, Smith, J.L.R, Hawkins, D.E.D.P, Koonin, E.V, Hill, C, Antson, A.A. | | Deposit date: | 2021-12-24 | | Release date: | 2023-03-29 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Structural atlas of a human gut crassvirus.
Nature, 617, 2023
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