4DAS
 
 | | Crystal structure of Bullfrog M ferritin | | Descriptor: | 1,2-ETHANEDIOL, Ferritin, middle subunit, ... | | Authors: | Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Turano, P. | | Deposit date: | 2012-01-13 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Structural insights into the ferroxidase site of ferritins from higher eukaryotes.
J.Am.Chem.Soc., 134, 2012
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6FPC
 | | Structure of the PRO-PRO endopeptidase (PPEP-2) from Paenibacillus alvei | | Descriptor: | CADMIUM ION, PRO-PRO endopeptidase, SULFATE ION, ... | | Authors: | Weeks, S.D, Klychnikov, O.I, Hensbergen, P.J, Strelkov, S.V. | | Deposit date: | 2018-02-09 | | Release date: | 2018-05-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of a new Pro-Pro endopeptidase, PPEP-2, provides mechanistic insights into the differences in substrate specificity within the PPEP family.
J. Biol. Chem., 293, 2018
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6BKM
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5N9R
 | | Crystal structure of USP7 in complex with a potent, selective and reversible small-molecule inhibitor | | Descriptor: | 7-bromanyl-3-[[4-oxidanyl-1-[(3~{R})-3-phenylbutanoyl]piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Harrison, T, Gavory, G, O'Dowd, C, Helm, M, Flasz, I, Arkoudis, E, Dossang, A, Hughes, C, Cassidy, E, McClelland, K, Odrzywol, E, Page, N, Barker, O, Miel, H. | | Deposit date: | 2017-02-27 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Discovery and characterization of highly potent and selective allosteric USP7 inhibitors.
Nat. Chem. Biol., 14, 2018
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2ZBO
 | | Crystal structure of low-redox-potential cytochrom c6 from brown alga Hizikia fusiformis at 1.6 A resolution | | Descriptor: | Cytochrome c6, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Akazaki, H, Kawai, F, Chida, H, Matsumoto, Y, Sirasaki, I, Nakade, H, Hirayama, M, Hosikawa, K, Suruga, K, Satoh, T, Yamada, S, Unzai, S, Hakamata, W, Nishio, T, Park, S.-Y, Oku, T. | | Deposit date: | 2007-10-26 | | Release date: | 2008-09-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Cloning, expression and purification of cytochrome c(6) from the brown alga Hizikia fusiformis and complete X-ray diffraction analysis of the structure
ACTA CRYSTALLOGR.,SECT.F, 64, 2008
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7N3V
 | | Crystal structure of Mycobacterium smegmatis LmcA | | Descriptor: | GLYCEROL, LmcA, SULFATE ION | | Authors: | Patel, O, Lucet, I, Panjikar, S. | | Deposit date: | 2021-06-02 | | Release date: | 2022-04-13 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystal structure of the putative cell-wall lipoglycan biosynthesis protein LmcA from Mycobacterium smegmatis.
Acta Crystallogr D Struct Biol, 78, 2022
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5NBY
 | | Structure of a bacterial light-regulated adenylyl cylcase | | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, FLAVIN MONONUCLEOTIDE | | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | | Deposit date: | 2017-03-02 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017
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6FQN
 | | Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 2 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol, ... | | Authors: | De la Mora, E, Santoni, G, de Souza, J, Sussman, J, Silman, I, Baati, R, Weik, M, Nachon, F. | | Deposit date: | 2018-02-14 | | Release date: | 2018-08-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.30002666 Å) | | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
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5ND3
 | | Microtubule-bound MKLP2 motor domain in the with no nucleotide | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF20A, ... | | Authors: | Atherton, J, Yu, I.M, Cook, A, Muretta, J.M, Joseph, A.P, Major, J, Sourigues, Y, Clause, J, Topf, M, Rosenfeld, S.S, Houdusse, A, Moores, C.A. | | Deposit date: | 2017-03-07 | | Release date: | 2017-10-04 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | The divergent mitotic kinesin MKLP2 exhibits atypical structure and mechanochemistry.
Elife, 6, 2017
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4DP2
 | | The 1.8 Angstrom crystal structure of oxidized (CuII) poplar plastocyanin B at pH 6.0 | | Descriptor: | ACETATE ION, COPPER (II) ION, GLYCEROL, ... | | Authors: | Kachalova, G.S, Shosheva, A.H, Bourenkov, G.P, Donchev, A.A, Dimitrov, M.I, Bartunik, H.D. | | Deposit date: | 2012-02-13 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural comparison of the poplar plastocyanin isoforms PCa and PCb sheds new light on the role of the copper site geometry in interactions with redox partners in oxygenic photosynthesis.
J.Inorg.Biochem., 115, 2012
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4YV4
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6FS3
 | | Phosphotriesterase PTE_A53_1 | | Descriptor: | (2~{S})-2-methylpentanedioic acid, FORMIC ACID, Parathion hydrolase, ... | | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | | Deposit date: | 2018-02-19 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structures of Bacterail Phosphotriesterase variant with high catalytic activity towards organophosphate nerve agents developed by use of structure-based design and molecular evolution
To Be Published
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4DP9
 | | The 1.00 Angstrom crystal structure of oxidized (CuII) poplar plastocyanin A at pH 6.0 | | Descriptor: | COPPER (II) ION, Plastocyanin A, chloroplastic | | Authors: | Kachalova, G.S, Shosheva, A.H, Bourenkov, G.P, Donchev, A.A, Dimitrov, M.I, Bartunik, H.D. | | Deposit date: | 2012-02-13 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural comparison of the poplar plastocyanin isoforms PCa and PCb sheds new light on the role of the copper site geometry in interactions with redox partners in oxygenic photosynthesis.
J.Inorg.Biochem., 115, 2012
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6PNV
 | | 1.42 Angstrom Resolution Crystal Structure of Translocation Protein TolB from Salmonella enterica | | Descriptor: | POTASSIUM ION, SODIUM ION, Tol-Pal system protein TolB | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-07-03 | | Release date: | 2019-07-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | 1.42 Angstrom Resolution Crystal Structure of Translocation Protein TolB from Salmonella enterica
To Be Published
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4YIO
 | | X-ray structure of the iron/manganese cambialistic superoxide dismutase from Streptococcus thermophilus | | Descriptor: | FE (III) ION, GLYCEROL, SULFATE ION, ... | | Authors: | Russo Krauss, I, Merlino, A, Pica, A, Sica, F. | | Deposit date: | 2015-03-02 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fine tuning of metal-specific activity in the Mn-like group of cambialistic superoxide dismutases
Rsc Adv, 5, 2015
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1H5I
 | | X-ray induced reduction of horseradish peroxidase C1A Compound III (56-67% dose) | | Descriptor: | ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ... | | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | | Deposit date: | 2001-05-22 | | Release date: | 2002-05-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution
Nature, 417, 2002
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5NHH
 | | Human Erk2 with an Erk1/2 inhibitor | | Descriptor: | 5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | Deposit date: | 2017-03-21 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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3D20
 | | Crystal structure of HIV-1 mutant I54V and inhibitor DARUNAVIA | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, HIV-1 Protease, ... | | Authors: | Liu, F, Kovalesky, A.Y, Tie, Y, Ghosh, A.K, Harrison, R.W, Weber, I.T. | | Deposit date: | 2008-05-07 | | Release date: | 2008-05-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
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5NHO
 | | Human Erk2 with an Erk1/2 inhibitor | | Descriptor: | (6~{S})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | Deposit date: | 2017-03-22 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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5NHV
 | | Human Erk2 with an Erk1/2 inhibitor | | Descriptor: | 7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{H}-pyrrolo[1,2-a]pyrazin-1-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | Deposit date: | 2017-03-22 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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5NGU
 | | Human Erk2 with an Erk1/2 inhibitor | | Descriptor: | 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | Deposit date: | 2017-03-20 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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8D50
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8D4R
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4TPV
 | | Crystal Structure of Hookworm Platelet Inhibitor | | Descriptor: | GLYCEROL, Platelet inhibitor | | Authors: | Andersen, J.F, Ma, D, Francischetti, I. | | Deposit date: | 2014-06-09 | | Release date: | 2015-04-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structure of hookworm platelet inhibitor (HPI), a CAP superfamily member from Ancylostoma caninum.
Acta Crystallogr.,Sect.F, 71, 2015
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6REX
 | | Crystal structure of the light-driven sodium pump KR2 in the pentameric form, pH 6.0 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ... | | Authors: | Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. | | Deposit date: | 2019-04-12 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019
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