5D85
 
 | | Staphyloferrin B precursor biosynthetic enzyme SbnA bound to aminoacrylate intermediate | | Descriptor: | 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CITRATE ANION, GLYCEROL, ... | | Authors: | Kobylarz, M.J, Grigg, J.C, Liu, Y, Lee, M.S.F, Heinrichs, D.E, Murphy, M.E.P. | | Deposit date: | 2015-08-15 | | Release date: | 2016-02-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Deciphering the Substrate Specificity of SbnA, the Enzyme Catalyzing the First Step in Staphyloferrin B Biosynthesis.
Biochemistry, 55, 2016
|
|
4BI9
 | | Crystal structure of wild-type SCP2 thiolase from Trypanosoma brucei. | | Descriptor: | 3-KETOACYL-COA THIOLASE, PUTATIVE | | Authors: | Harijan, R.K, Kiema, T.-R, Weiss, M.S, Michels, P.A.M, Wierenga, R.K. | | Deposit date: | 2013-04-10 | | Release date: | 2013-08-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal Structures of Scp2-Thiolases of Trypanosomatidae, Human Pathogens Causing Widespread Tropical Diseases: The Importance for Catalysis of the Cysteine of the Unique Hdcf Loop.
Biochem.J., 455, 2013
|
|
4ZTT
 | | Crystal structures of ferritin mutants reveal diferric-peroxo intermediates | | Descriptor: | Bacterial non-heme ferritin, FE (II) ION, FE (III) ION, ... | | Authors: | Kim, S, Park, Y.H, Jung, S.W, Seok, J.H, Chung, Y.B, Lee, D.B, Gowda, G, Lee, J.H, Han, H.R, Cho, A.E, Lee, C, Chung, M.S, Kim, K.H. | | Deposit date: | 2015-05-15 | | Release date: | 2016-06-15 | | Last modified: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structural Basis of Novel Iron-Uptake Route and Reaction Intermediates in Ferritins from Gram-Negative Bacteria.
J. Mol. Biol., 428, 2016
|
|
5D86
 | | Staphyloferrin B precursor biosynthetic enzyme SbnA Y152F variant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Kobylarz, M.J, Grigg, J.C, Liu, Y, Lee, M.S.F, Heinrichs, D.E, Murphy, M.E.P. | | Deposit date: | 2015-08-15 | | Release date: | 2016-02-03 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Deciphering the Substrate Specificity of SbnA, the Enzyme Catalyzing the First Step in Staphyloferrin B Biosynthesis.
Biochemistry, 55, 2016
|
|
6O0W
 | | Crystal structure of the TIR domain from the grapevine disease resistance protein RUN1 in complex with NADP+ and Bis-Tris | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-2'-5'-DIPHOSPHATE, TIR-NB-LRR type resistance protein RUN1 | | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | | Deposit date: | 2019-02-17 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
|
|
6O0V
 | | Crystal structure of the TIR domain G601P mutant from human SARM1, crystal form 2 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Sterile alpha and TIR motif-containing protein 1 | | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | | Deposit date: | 2019-02-17 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
|
|
7URQ
 | |
7URS
 | |
7LQ7
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CV503 and COVA1-16 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 heavy chain, COVA1-16 light chain, ... | | Authors: | Yuan, M, Zhu, X, Wilson, I.A. | | Deposit date: | 2021-02-13 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Bispecific antibodies targeting distinct regions of the spike protein potently neutralize SARS-CoV-2 variants of concern.
Sci Transl Med, 13, 2021
|
|
7UG7
 | | 70S ribosome complex in an intermediate state of translocation bound to EF-G(GDP) stalled by Argyrin B | | Descriptor: | 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ... | | Authors: | Rundlet, E.J, Wieland, M, Holm, M, Koller, T.O, Blanchard, S.C, Wilson, D.N. | | Deposit date: | 2022-03-24 | | Release date: | 2022-05-18 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | The cyclic octapeptide antibiotic argyrin B inhibits translation by trapping EF-G on the ribosome during translocation.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
4ARB
 | | Mus musculus Acetylcholinesterase in complex with (S)-C5685 at 2.25 A resolution. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(DIMETHYLAMINO)-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, ACETYLCHOLINESTERASE, ... | | Authors: | Berg, L, Niemiec, M.S, Qian, W, Andersson, C.D, WittungStafshede, P, Ekstrom, F, Linusson, A. | | Deposit date: | 2012-04-23 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Similar But Different: Thermodynamic and Structural Characterization of a Pair of Enantiomers Binding to Acetylcholinesterase.
Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
6GTH
 | | Serial Femtosecond Crystallography at Megahertz pulse rates | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | Authors: | Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H. | | Deposit date: | 2018-06-18 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Megahertz serial crystallography.
Nat Commun, 9, 2018
|
|
6O0S
 | | Crystal structure of the tandem SAM domains from human SARM1 | | Descriptor: | Sterile alpha and TIR motif-containing protein 1 | | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | | Deposit date: | 2019-02-17 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
|
|
7K4N
 | |
5W4C
 | | Crystal structure of thioredoxin reductase from Cryptococcus neoformans in complex with FAD (FO conformation) | | Descriptor: | ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bravo-Chaucanes, C.P, Valadares, N.F, Felipe, M.S.S, Barbosa, J.A.R.G. | | Deposit date: | 2017-06-09 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.255 Å) | | Cite: | Crystal structure of thioredoxin reductase from Cryptococcus neoformans in complex with FAD (FO conformation)
To be published
|
|
4GDP
 | | Yeast polyamine oxidase FMS1, N195A mutant | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Polyamine oxidase FMS1, TETRAETHYLENE GLYCOL | | Authors: | Taylor, A.B, Adachi, M.S, Hart, P.J, Fitzpatrick, P.F. | | Deposit date: | 2012-08-01 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9998 Å) | | Cite: | Mechanistic and Structural Analyses of the Roles of Active Site Residues in Yeast Polyamine Oxidase Fms1: Characterization of the N195A and D94N Enzymes.
Biochemistry, 51, 2012
|
|
3HZL
 | | Tyr258Phe mutant of NikD, an unusual amino acid oxidase essential for nikkomycin biosynthesis: open form at 1.55A resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, NikD protein, ... | | Authors: | Mathews, F.S, Jorns, M.S, Carrell, C.J. | | Deposit date: | 2009-06-23 | | Release date: | 2009-10-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Factors that affect oxygen activation and coupling of the two redox cycles in the aromatization reaction catalyzed by NikD, an unusual amino acid oxidase.
Biochemistry, 48, 2009
|
|
6GW9
 | | Concanavalin A structure determined with data from the EuXFEL, the first MHz free electron laser | | Descriptor: | CALCIUM ION, Concanavalin V, MAGNESIUM ION | | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | | Deposit date: | 2018-06-22 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
|
|
5L8A
 | | Targeting the PEX14-PEX5 interaction by small molecules provides novel therapeutic routes to treat trypanosomiases. | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(phenylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, GLYCINE, ... | | Authors: | Dawidowski, M, Emmanouilidis, L, Sattler, M, Popowicz, G.M. | | Deposit date: | 2016-06-07 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Inhibitors of PEX14 disrupt protein import into glycosomes and kill Trypanosoma parasites.
Science, 355, 2017
|
|
6O0U
 | | Crystal structure of the TIR domain H685A mutant from human SARM1 | | Descriptor: | Sterile alpha and TIR motif-containing protein 1 | | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | | Deposit date: | 2019-02-17 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
|
|
4Y4G
 | | Endothiapepsin in complex with fragment B53 | | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.439 Å) | | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
|
|
7MDN
 | | Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a | | Descriptor: | Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide | | Authors: | Lei, M, Freitas, R.F, Dong, A, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-04-05 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization.
Nat.Chem.Biol., 18, 2022
|
|
6O0Q
 | | Crystal structure of the TIR domain from human SARM1 in complex with ribose | | Descriptor: | CHLORIDE ION, Sterile alpha and TIR motif-containing protein 1, beta-D-ribofuranose | | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | | Deposit date: | 2019-02-17 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
|
|
7M40
 | | Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4) | | Descriptor: | Histone-binding protein RBBP4, N~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-N~1~,N~1~-dimethylpropane-1,3-diamine | | Authors: | Perveen, S, Dong, A, Tempel, W, Zepeda-Velazquez, C, Abbey, M, McLeod, D, Marcellus, R, Mohammed, M, Ensan, D, Panagopoulos, D, Trush, V, Gibson, E, Brown, P.J, Arrowsmith, C.H, Schapira, M, Al-awar, R, Vedadi, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-03-19 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4)
To Be Published
|
|
7QWL
 | |
