5ZN3
 
 | | X-ray structure of protein kinase ck2 alpha subunit H148S mutant | | Descriptor: | Casein kinase II subunit alpha, SULFATE ION | | Authors: | Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M. | | Deposit date: | 2018-04-07 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography.
J. Mol. Biol., 430, 2018
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5ZN2
 | | X-ray structure of protein kinase ck2 alpha subunit H148A mutant | | Descriptor: | Casein kinase II subunit alpha, SULFATE ION | | Authors: | Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M. | | Deposit date: | 2018-04-07 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography.
J. Mol. Biol., 430, 2018
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6AJV
 | | Crystal structure of BRD4 in complex with isoliquiritigenin and DMSO (Cocktail No. 3) | | Descriptor: | 2',4,4'-TRIHYDROXYCHALCONE, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | | Authors: | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | | Deposit date: | 2018-08-28 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
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6AJX
 | | Crystal structure of BRD4 in complex with isoliquiritigenin in the absence of DMSO | | Descriptor: | 2',4,4'-TRIHYDROXYCHALCONE, Bromodomain-containing protein 4, SODIUM ION | | Authors: | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | | Deposit date: | 2018-08-28 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.887 Å) | | Cite: | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
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6AJY
 | | Crystal structure of BRD4 in complex with 2',4'-dihydroxy-2-methoxychalcone | | Descriptor: | 2',4'-dihydroxy-2-methoxychalcone, Bromodomain-containing protein 4, SODIUM ION | | Authors: | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | | Deposit date: | 2018-08-28 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
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6AJW
 | | Crystal structure of BRD4 in complex with DMSO (Cocktail No. 4) | | Descriptor: | Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, SODIUM ION | | Authors: | Yokoyama, T, Matsumoto, K, Nabeshima, Y, Mizuguchi, M. | | Deposit date: | 2018-08-28 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.401 Å) | | Cite: | Structural and thermodynamic characterization of the binding of isoliquiritigenin to the first bromodomain of BRD4.
Febs J., 286, 2019
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5KB3
 | | 1.4 A resolution structure of Helicobacter Pylori MTAN in complexed with p-ClPh-DADMe-ImmA | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, MAGNESIUM ION | | Authors: | Banco, M.T, Ronning, D.R. | | Deposit date: | 2016-06-02 | | Release date: | 2016-11-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5K1Z
 | | Joint X-ray/neutron structure of MTAN complex with p-ClPh-Thio-DADMe-ImmA | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase | | Authors: | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | | Deposit date: | 2016-05-18 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | NEUTRON DIFFRACTION (2.6 Å), X-RAY DIFFRACTION | | Cite: | Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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6FFT
 | | Neutron structure of human transthyretin (TTR) S52P mutant in complex with tafamidis at room temperature to 2A resolution (quasi-Laue) | | Descriptor: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | | Authors: | Yee, A.W, Moulin, M, Blakeley, M.P, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | | Deposit date: | 2018-01-09 | | Release date: | 2019-01-02 | | Last modified: | 2019-03-20 | | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | Cite: | A molecular mechanism for transthyretin amyloidogenesis.
Nat Commun, 10, 2019
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6FJJ
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6FJI
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6GCY
 | | Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin-sugar conjugate complex) | | Descriptor: | Carbonic anhydrase 2, ZINC ION, [1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl alpha-L-idopyranoside | | Authors: | Fisher, S.Z, Koruza, K. | | Deposit date: | 2018-04-20 | | Release date: | 2019-02-06 | | Last modified: | 2019-03-06 | | Method: | NEUTRON DIFFRACTION (1.3 Å), X-RAY DIFFRACTION | | Cite: | Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative.
J. Struct. Biol., 205, 2019
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1WQ2
 | | Neutron Crystal Structure Of Dissimilatory Sulfite Reductase D (DsrD) | | Descriptor: | Protein dsvD, SULFATE ION | | Authors: | Chatake, T, Mizuno, N, Voordouw, G, Higuchi, Y, Arai, S, Tanaka, I, Niimura, N. | | Deposit date: | 2004-09-19 | | Release date: | 2005-09-19 | | Last modified: | 2023-10-25 | | Method: | NEUTRON DIFFRACTION (2.4 Å) | | Cite: | Crystallization and preliminary neutron analysis of the dissimilatory sulfite reductase D (DsrD) protein from the sulfate-reducing bacterium Desulfovibrio vulgaris.
Acta Crystallogr.,Sect.D, 59, 2003
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5ZO0
 | | Neutron structure of xylanase at pD5.4 | | Descriptor: | Endo-1,4-beta-xylanase 2 | | Authors: | Wan, Q, Li, Z.H. | | Deposit date: | 2018-04-12 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | NEUTRON DIFFRACTION (1.648 Å) | | Cite: | Neutron structure of xylanase at pD5.4
To be published
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5ZKZ
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5ZIW
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5ZII
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5NFW
 | | Neutron structure of human transthyretin (TTR) S52P mutant at room temperature to 1.8A resolution (quasi-Laue) | | Descriptor: | Transthyretin | | Authors: | Yee, A.W, Moulin, M, Blakeley, M.P, Cooper, J.B, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | | Deposit date: | 2017-03-16 | | Release date: | 2019-01-02 | | Last modified: | 2019-03-20 | | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | | Cite: | A molecular mechanism for transthyretin amyloidogenesis.
Nat Commun, 10, 2019
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5MO1
 | | Neutron structure of cationic trypsin in complex with benzylamine | | Descriptor: | (phenylmethyl)azanium, CALCIUM ION, Cationic trypsin | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-13 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | NEUTRON DIFFRACTION (1.491 Å) | | Cite: | Neutron structure of cationic trypsin in complex with benzylamine
to be published
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5MOR
 | | Joint X-ray/neutron structure of cationic trypsin in complex with benzylamine | | Descriptor: | (phenylmethyl)azanium, CALCIUM ION, Cationic trypsin, ... | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-14 | | Release date: | 2018-02-28 | | Last modified: | 2018-11-14 | | Method: | NEUTRON DIFFRACTION (0.98 Å), X-RAY DIFFRACTION | | Cite: | Joint X-ray/neutron structure of cationic trypsin in complex with benzylamine
to be published
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