7LZD
 
 | | Crystal Structure of SETD2 bound to Compound 35 | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETD2, ... | | Authors: | Farrow, N.A, Boriack-Sjodin, P. | | Deposit date: | 2021-03-09 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of a First-in-Class Inhibitor of the Histone Methyltransferase SETD2 Suitable for Preclinical Studies.
Acs Med.Chem.Lett., 12, 2021
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4UU9
 | | Crystal structure of the human c5a in complex with MEDI7814 a neutralising antibody | | Descriptor: | COMPLEMENT C5, MEDI7814, SULFATE ION | | Authors: | Colley, C, Sridharan, S, Dobson, C, Popovic, B, Debreczeni, J.E, Hargreaves, D, Edwards, B, Brennan, J, England, L, Fung, S, An Eghobamien, L, Sivars, U, Woods, R, Flavell, L, Renshaw, G.J, Wickson, K, Wilkinson, T, Davies, R, Bonnell, J, Warrener, P, Howes, R, Vaughan, T. | | Deposit date: | 2014-07-25 | | Release date: | 2015-08-12 | | Last modified: | 2019-02-27 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure and characterization of a high affinity C5a monoclonal antibody that blocks binding to C5aR1 and C5aR2 receptors.
MAbs, 10, 2018
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4W7S
 | | Crystal structure of the yeast DEAD-box splicing factor Prp28 at 2.54 Angstroms resolution | | Descriptor: | GLYCEROL, HEXAETHYLENE GLYCOL, MAGNESIUM ION, ... | | Authors: | Jacewicz, A, Smith, P, Schwer, B, Shuman, S. | | Deposit date: | 2014-08-22 | | Release date: | 2014-10-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.542 Å) | | Cite: | Crystal structure, mutational analysis and RNA-dependent ATPase activity of the yeast DEAD-box pre-mRNA splicing factor Prp28.
Nucleic Acids Res., 42, 2014
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4O4Q
 | | Crystal structure of the complex formed between type 1 ribosome inactivating protein and uridine diphosphate at 1.81 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, URIDINE-5'-DIPHOSPHATE, ... | | Authors: | Yamini, S, Pandey, S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-12-19 | | Release date: | 2014-01-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Crystal structure of the complex formed between type 1 ribosome inactivating protein and uridine diphosphate at 1.81 A resolution
To be Published
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3UEF
 | | Crystal structure of human Survivin bound to histone H3 (C2 space group). | | Descriptor: | 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 5, N-terminal fragment of histone H3, ... | | Authors: | Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W. | | Deposit date: | 2011-10-30 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres.
Mol.Biol.Cell, 23, 2012
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4W9H
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-acetamido-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 7) | | Descriptor: | N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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4O5U
 | | Crystal structure of Alkylhydroperoxide Reductase subunit F from E. coli at 2.65 Ang resolution | | Descriptor: | Alkyl hydroperoxide reductase subunit F, CADMIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Kamariah, N, Dip, P.V, Manimekalai, M.S.S, Gruber, G, Eisenhaber, F, Eisenhaber, B. | | Deposit date: | 2013-12-20 | | Release date: | 2014-11-05 | | Last modified: | 2015-02-25 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure, mechanism and ensemble formation of the alkylhydroperoxide reductase subunits AhpC and AhpF from Escherichia coli
Acta Crystallogr.,Sect.D, 70, 2014
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5KAQ
 | | Crystal structure of broadly neutralizing Influenza A antibody 31.a.83 in complex with Hemagglutinin Hong Kong 1968. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 31.A.83 FAB HEAVY CHAIN, ANTIBODY 31.A.83 FAB LIGHT CHAIN, ... | | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | | Deposit date: | 2016-06-01 | | Release date: | 2017-02-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.514 Å) | | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
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5K5B
 | | Wild-type PAS-GAF fragment from Deinococcus radiodurans BphP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ... | | Authors: | Takala, H, Edlund, P, Claesson, E, Ihalainen, J.A, Westenhoff, S. | | Deposit date: | 2016-05-23 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
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4O8E
 | | Crystal structure of the complex of type I ribosome inactivating protein from Momordica balsamina with uridine triphosphate at 2.0 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, URIDINE 5'-TRIPHOSPHATE, ... | | Authors: | Pandey, S, Yamini, S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-12-27 | | Release date: | 2014-01-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the complex of type I ribosome inactivating protein from Momordica balsamina with uridine triphosphate at 2.0 A resolution
To be Published
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8RUF
 | | Crystal structure of Rhizobium etli L-asparaginase ReAV D187A mutant | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Pokrywka, K, Grzechowiak, M, Sliwiak, J, Worsztynowicz, P, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M. | | Deposit date: | 2024-01-30 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Probing the active site of Class 3 L-asparaginase by mutagenesis. I. Tinkering with the zinc coordination site of ReAV.
Front Chem, 12, 2024
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2XVY
 | | Cobalt chelatase CbiK (periplasmic) from Desulvobrio vulgaris Hildenborough (co-crystallised with cobalt and SHC) | | Descriptor: | CHELATASE, PUTATIVE, COBALT (II) ION, ... | | Authors: | Romao, C.V, Lobo, S.A.L, Carrondo, M.A, Saraiva, L.M, Matias, P.M. | | Deposit date: | 2010-10-28 | | Release date: | 2011-11-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Desulfovibrio vulgaris CbiK(P) cobaltochelatase: evolution of a haem binding protein orchestrated by the incorporation of two histidine residues.
Environ. Microbiol., 19, 2017
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6DNV
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6QLG
 | | Crystal structure of AnUbiX (PadA1) in complex with FMN and dimethylallyl pyrophosphate | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYLALLYL DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Marshall, S.A, Payne, K.A.P, Leys, D. | | Deposit date: | 2019-02-01 | | Release date: | 2019-06-05 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
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3GVR
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4W9E
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(thiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 4) | | Descriptor: | (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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3UMR
 | | Crystal structure of the G202D mutant of human G-alpha-i1 | | Descriptor: | CHLORIDE ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Johnston, C.A, Afshar, K, Snyder, J.T, Tall, G.G, Gonczy, P, Siderovski, D.P, Willard, F.S. | | Deposit date: | 2011-11-14 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural Determinants Underlying the Temperature-sensitive Nature of a G-alpha Mutant in Asymmetric Cell Division of Caenorhabditis elegans
To be Published
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3UTQ
 | | Human HLA-A*0201-ALWGPDPAAA | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Sewell, A.K, Bulek, A.M. | | Deposit date: | 2011-11-26 | | Release date: | 2012-01-25 | | Last modified: | 2012-03-07 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structural basis for the killing of human beta cells by CD8(+) T cells in type 1 diabetes.
Nat.Immunol., 13, 2012
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5D8X
 | | 1.50A resolution structure of BfrB (L68A E81A) from Pseudomonas aeruginosa | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Ferroxidase, ... | | Authors: | Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. | | Deposit date: | 2015-08-18 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
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8RUD
 | | Crystal structure of Rhizobium etli L-asparaginase ReAV K138A mutant | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Pokrywka, K, Grzechowiak, M, Sliwiak, J, Worsztynowicz, P, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M. | | Deposit date: | 2024-01-30 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Probing the active site of Class 3 L-asparaginase by mutagenesis. I. Tinkering with the zinc coordination site of ReAV.
Front Chem, 12, 2024
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6DMZ
 | | Solution structure of ZmD32 | | Descriptor: | Flower-specific gamma-thionin | | Authors: | Harvey, P.J, Craik, D.J. | | Deposit date: | 2018-06-05 | | Release date: | 2019-05-15 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Salt-Tolerant Antifungal and Antibacterial Activities of the Corn Defensin ZmD32.
Front Microbiol, 10, 2019
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8RUG
 | | Crystal structure of Rhizobium etli L-asparaginase ReAV C189A mutant | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Pokrywka, K, Grzechowiak, M, Sliwiak, J, Worsztynowicz, P, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M. | | Deposit date: | 2024-01-30 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Probing the active site of Class 3 L-asparaginase by mutagenesis. I. Tinkering with the zinc coordination site of ReAV.
Front Chem, 12, 2024
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2XNX
 | | BC1 fragment of streptococcal M1 protein in complex with human fibrinogen | | Descriptor: | FIBRINOGEN ALPHA CHAIN, FIBRINOGEN BETA CHAIN, FIBRINOGEN GAMMA CHAIN, ... | | Authors: | Macheboeuf, P, Y Fu, C, Zinkernagel, A.S, Johnson, J.E, Nizet, V, Ghosh, P. | | Deposit date: | 2010-08-06 | | Release date: | 2011-04-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Streptococcal M1 Protein Constructs a Pathological Host Fibrinogen Network
Nature, 472, 2011
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4V96
 | | The structure of a 1.8 MDa viral genome injection device suggests alternative infection mechanisms | | Descriptor: | BPP, ORF46, ORF48 | | Authors: | Veesler, D, Spinelli, S, Mahony, J, Lichiere, J, Blangy, S, Bricogne, G, Legrand, P, Ortiz-Lombardia, M, Campanacci, V, van Sinderen, D, Cambillau, C. | | Deposit date: | 2012-02-01 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structure of the phage TP901-1 1.8 MDa baseplate suggests an alternative host adhesion mechanism.
Proc.Natl.Acad.Sci.USA, 109, 2012
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8RUE
 | | Crystal structure of Rhizobium etli L-asparaginase ReAV H139A mutant | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Pokrywka, K, Grzechowiak, M, Sliwiak, J, Worsztynowicz, P, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M. | | Deposit date: | 2024-01-30 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Probing the active site of Class 3 L-asparaginase by mutagenesis. I. Tinkering with the zinc coordination site of ReAV.
Front Chem, 12, 2024
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