5ADU
 
 | | The Mechanism of Hydrogen Activation by NiFe-hydrogenases | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Evans, R, Brooke, E.J, Wehlin, S.A, Nomerotskaia, E, Sargent, F, Carr, S.B, Phillips, S.E.V, Armstrong, F.A. | | Deposit date: | 2015-08-24 | | Release date: | 2015-11-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Mechanism of hydrogen activation by [NiFe] hydrogenases.
Nat. Chem. Biol., 12, 2016
|
|
8A41
 | | Nudaurelia capensis omega virus procapsid at pH7.6 (insect cell expressed VLPs) | | Descriptor: | p70 | | Authors: | Castells-Graells, R, Hesketh, E.L, Johnson, J.E, Ranson, N.A, Lawson, D.M, Lomonossoff, G.P. | | Deposit date: | 2022-06-10 | | Release date: | 2022-12-28 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.88 Å) | | Cite: | Nudaurelia capensis omega virus maturation intermediate captured at pH5.9 (insect cell expressed VLPs)
To be published
|
|
8A3C
 | | Nudaurelia capensis omega virus maturation intermediate captured at pH5.9 (insect cell expressed VLPs) | | Descriptor: | p70 | | Authors: | Castells-Graells, R, Hesketh, E.L, Johnson, J.E, Ranson, N.A, Lawson, D.M, Lomonossoff, G.P. | | Deposit date: | 2022-06-08 | | Release date: | 2022-12-28 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.92 Å) | | Cite: | Nudaurelia capensis omega virus maturation intermediate captured at pH5.9 (insect cell expressed VLPs)
To be published
|
|
8A6J
 | | Nudaurelia capensis omega virus maturation intermediate captured at pH6.25 (insect cell expressed VLPs) | | Descriptor: | p70 | | Authors: | Castells-Graells, R, Hesketh, E.L, Johnson, J.E, Ranson, N.A, Lawson, D.M, Lomonossoff, G.P. | | Deposit date: | 2022-06-17 | | Release date: | 2022-12-28 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Decoding virus maturation with cryo-EM structures of intermediates
To be published
|
|
1PW7
 | | Crystal Structure of E. coli purine nucleoside phosphorylase complexed with 9-beta-D-arabinofuranosyladenine and sulfate/phosphate | | Descriptor: | 2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type | | Authors: | Bennett, E.M, Li, C, Allan, P.W, Parker, W.B, Ealick, S.E. | | Deposit date: | 2003-06-30 | | Release date: | 2003-11-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for substrate specificity of Escherichia coli purine nucleoside phosphorylase.
J.Biol.Chem., 278, 2003
|
|
3MXF
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JQ1 | | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-05-07 | | Release date: | 2010-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Selective inhibition of BET bromodomains.
Nature, 468, 2010
|
|
6Q7I
 | | GH3 exo-beta-xylosidase (XlnD) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Davies, G.J, Rowland, R.J, Wu, L, Moroz, O, Blagova, E. | | Deposit date: | 2018-12-13 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Dynamic and Functional Profiling of Xylan-Degrading Enzymes inAspergillusSecretomes Using Activity-Based Probes.
Acs Cent.Sci., 5, 2019
|
|
5UWF
 | | Crystal structure of human PDE10A in complex with inhibitor 16d | | Descriptor: | 9-[(1S)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Xu, R, Cedervall, E.P, Sridhar, V, Barker, R, Aertgeerts, K. | | Deposit date: | 2017-02-21 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties.
J. Med. Chem., 60, 2017
|
|
7ZLG
 | | Cryo-EM structure of C-mannosyltransferase CeDPY19, in complex with acceptor peptide and bound to CMT2-Fab and anti-Fab nanobody | | Descriptor: | Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ... | | Authors: | Bloch, J.S, Mukherjee, S, Mao, R, Irobalieva, R, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P. | | Deposit date: | 2022-04-15 | | Release date: | 2023-01-11 | | Last modified: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase.
Nat.Chem.Biol., 19, 2023
|
|
3J05
 | | Three-dimensional structure of Dengue virus serotype 1 complexed with HMAb 14c10 Fab | | Descriptor: | envelope protein | | Authors: | Teoh, E.P, Kukkaro, P, Teo, E.W, Lim, A, Tan, T.T, Shi, P.Y, Yip, A, Schul, W, Leo, Y.S, Chan, S.H, Smith, K.G.C, Ooi, E.E, Kemeny, D.M, Ng, G, Ng, M.L, Alonso, S, Fisher, D, Hanson, B, Lok, S.M, MacAry, P.A. | | Deposit date: | 2011-04-01 | | Release date: | 2012-07-04 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | The structural basis for serotype-specific neutralization of dengue virus by a human antibody.
Sci Transl Med, 4, 2012
|
|
6NSY
 | | X-ray reduced Catalase 3 From N.Crassa in Cpd I state (0.263 MGy) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Catalase-3, ... | | Authors: | Zarate-Romero, A, Rudino-Pinera, E, Stojanoff, V. | | Deposit date: | 2019-01-27 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state.
Arch.Biochem.Biophys., 666, 2019
|
|
7ZLH
 | | Cryo-EM structure of C-mannosyltransferase CeDPY19, in apo state, bound to CMT2-Fab and anti-Fab nanobody | | Descriptor: | Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ... | | Authors: | Bloch, J.S, Mukherjee, S, Irobalieva, R, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P. | | Deposit date: | 2022-04-15 | | Release date: | 2023-01-11 | | Last modified: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase.
Nat.Chem.Biol., 19, 2023
|
|
5LZI
 | | Porcine heat-labile enterotoxin R13H in complex with inhibitor MM146 | | Descriptor: | (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{R})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{S})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Heggelund, J.E, Mackenzie, A, Krengel, U. | | Deposit date: | 2016-09-29 | | Release date: | 2017-05-31 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
|
|
6SP1
 | | KEAP1 IN COMPLEX WITH COMPOUND 6 | | Descriptor: | (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | | Authors: | Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S. | | Deposit date: | 2019-08-30 | | Release date: | 2020-06-03 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
|
|
5LXT
 | | Tubulin-Discodermolide complex | | Descriptor: | (+)-Discodermolide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Prota, A.E, Steinmetz, M.O. | | Deposit date: | 2016-09-22 | | Release date: | 2017-03-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis of Microtubule Stabilization by Discodermolide.
Chembiochem, 18, 2017
|
|
7ZJZ
 | | catalytically non active S532A mutant of oligopeptidase B from S. proteomaculans | | Descriptor: | Oligopeptidase B, SPERMINE | | Authors: | Petrenko, D.E, Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Mikhailova, A.G, Timofeev, V.I, Rakitina, T.V. | | Deposit date: | 2022-04-12 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Elucidation of the Conformational Transition of Oligopeptidase B by an Integrative Approach Based on the Combination of X-ray, SAXS, and Essential Dynamics Sampling Simulation
Crystals, 12, 2022
|
|
5YTM
 | | C135A mutant of copper-containing nitrite reductase from Geobacillus thermodenitrificans determined by in-ouse source | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETIC ACID, COPPER (II) ION, ... | | Authors: | Fukuda, Y, Matsusaki, T, Tse, K.M, Mizohata, E, Murphy, M.E.P, Inoue, T. | | Deposit date: | 2017-11-19 | | Release date: | 2018-08-22 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystallographic study of dioxygen chemistry in a copper-containing nitrite reductase from Geobacillus thermodenitrificans.
Acta Crystallogr D Struct Biol, 74, 2018
|
|
3MYN
 | | Mutation of Methionine-86 in Dehaloperoxidase-hemoglobin: Effects of the Asp-His-Fe Triad in a 3/3 Globin | | Descriptor: | CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Bowden, E.F, de Serrano, V.S, D'Antonio, E.L, Franzen, S. | | Deposit date: | 2010-05-10 | | Release date: | 2011-04-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.194 Å) | | Cite: | Functional consequences of the creation of an Asp-His-Fe triad in a 3/3 globin.
Biochemistry, 50, 2011
|
|
7TA2
 | | Crystal structure of the human sperm-expressed surface protein SPACA6 | | Descriptor: | BROMIDE ION, Sperm acrosome membrane-associated protein 6 | | Authors: | Vance, T.D.R, Yip, P, Jimenez, E, Uson, I, Lee, J.E. | | Deposit date: | 2021-12-20 | | Release date: | 2022-08-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | SPACA6 ectodomain structure reveals a conserved superfamily of gamete fusion-associated proteins.
Commun Biol, 5, 2022
|
|
5NQ4
 | | Cytotoxin-1 in DPC-micelle | | Descriptor: | Cytotoxin 1 | | Authors: | Dubovskii, P.V, Dubinnyi, M.A, Volynsky, P.E, Pustovalova, Y.E, Konshina, A.G, Utkin, Y.N, Efremov, R.G, Arseniev, A.S. | | Deposit date: | 2017-04-19 | | Release date: | 2017-12-13 | | Last modified: | 2019-05-08 | | Method: | SOLUTION NMR | | Cite: | Impact of membrane partitioning on the spatial structure of an S-type cobra cytotoxin.
J. Biomol. Struct. Dyn., 36, 2018
|
|
6Z7Y
 | | Human insulin in complex with the analytical antibody OXI-005 Fab | | Descriptor: | Insulin, OXI-005 Fab Heavy chain, OXI-005 Fab Light chain | | Authors: | Johansson, E. | | Deposit date: | 2020-06-02 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Insulin binding to the analytical antibody sandwich pair OXI-005 and HUI-018: Epitope mapping and binding properties.
Protein Sci., 30, 2021
|
|
2NZL
 | | Crystal structure of human hydroxyacid oxidase 1 | | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYOXYLIC ACID, Hydroxyacid oxidase 1 | | Authors: | Ugochukwu, E, Kavanagh, K, Pilka, E, Berridge, G, Debreczeni, J.E, Papagrigoriou, E, Turnbull, A, Niesen, F, Gileadi, O, von Delft, F, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-11-24 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structure of human hydroxyacid oxidase 1
To be Published
|
|
5KNC
 | | Crystal structure of the 3 ADP-bound V1 complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Suzuki, K, Mizutani, K, Maruyama, S, Shimono, K, Imai, F.L, Muneyuki, E, Kakinuma, Y, Ishizuka-Katsura, Y, Shirouzu, M, Yokoyama, S, Yamato, I, Murata, T. | | Deposit date: | 2016-06-28 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.015 Å) | | Cite: | Crystal structures of the ATP-binding and ADP-release dwells of the V1 rotary motor
Nat Commun, 7, 2016
|
|
1S1T
 | | Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with UC-781 | | Descriptor: | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, PHOSPHATE ION, Reverse transcriptase | | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K. | | Deposit date: | 2004-01-07 | | Release date: | 2004-06-29 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
|
|
1O9R
 | | The X-ray crystal structure of Agrobacterium tumefaciens Dps, a member of the family that protect DNA without binding | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AGROBACTERIUM TUMEFACIENS DPS, ... | | Authors: | Ilari, A, Ceci, P, Chiancone, E. | | Deposit date: | 2002-12-18 | | Release date: | 2003-05-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The Dps Protein of Agrobacterium Tumefaciens Does not Bind to DNA But Protects It Toward Oxidative Cleavage: X-Ray Crystal Structure, Iron Binding, and Hydroxyl-Radical Scavenging Properties
J.Biol.Chem., 278, 2003
|
|
