4V45
 
 | | E. COLI (lacZ) BETA-GALACTOSIDASE-TRAPPED 2-F-GALACTOSYL-ENZYME INTERMEDIATE | | Descriptor: | 2-deoxy-2-fluoro-beta-D-galactopyranose, Beta-Galactosidase, MAGNESIUM ION, ... | | Authors: | Juers, D.H, McCarter, J.D, Withers, S.G, Matthews, B.W. | | Deposit date: | 2001-09-13 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A Structural View of the Action of Escherichia Coli (Lacz) Beta-Galactosidase
Biochemistry, 40, 2001
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4V4M
 | | 1.45 Angstrom Structure of STNV coat protein | | Descriptor: | CALCIUM ION, Coat protein | | Authors: | Lane, S.W, Dennis, C.A, Lane, C.L, Trinh, C.H, Rizkallah, P.J, Stockley, P.G, Phillips, S.E.V. | | Deposit date: | 2011-04-28 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Construction and crystal structure of recombinant STNV capsids.
J.Mol.Biol., 413, 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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5RJM
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00024671 | | Descriptor: | 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol, PH-interacting protein | | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | | Deposit date: | 2020-06-02 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.407 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
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4V9E
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5RK6
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194394 | | Descriptor: | 4-(4-fluorophenyl)piperazine-1-carboxamide, PH-interacting protein | | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | | Deposit date: | 2020-06-02 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.241 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
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5RKL
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1545196403 | | Descriptor: | 2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline, PH-interacting protein | | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | | Deposit date: | 2020-06-02 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
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5RAF
 | | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001559a | | Descriptor: | (5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione, CHLORIDE ION, Lysine-specific demethylase 3B, ... | | Authors: | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | | Deposit date: | 2020-03-16 | | Release date: | 2020-04-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library
To Be Published
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5RAU
 | | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with DA000165b | | Descriptor: | CHLORIDE ION, Lysine-specific demethylase 3B, MANGANESE (II) ION, ... | | Authors: | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | | Deposit date: | 2020-03-16 | | Release date: | 2020-04-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library
To Be Published
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4W8F
 | | Crystal structure of the dynein motor domain in the AMPPNP-bound state | | Descriptor: | Dynein heavy chain lysozyme chimera, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Cheng, H.-C, Bhabha, G, Zhang, N, Vale, R.D. | | Deposit date: | 2014-08-24 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.541 Å) | | Cite: | Allosteric communication in the Dynein motor domain.
Cell, 159, 2014
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4V0U
 | | The crystal structure of ternary PP1G-PPP1R15B and G-actin complex | | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J. | | Deposit date: | 2014-09-18 | | Release date: | 2015-03-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (7.88 Å) | | Cite: | G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases.
Elife, 4, 2015
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4V3W
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3- fluorophenethyl)ethan-1-amine | | Descriptor: | 2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-10-20 | | Release date: | 2014-12-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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4USQ
 | | Structure of flavin-containing monooxygenase from Cellvibrio sp. BR | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PYRIDINE NUCLEOTIDE-DISULFIDE OXIDOREDUCTASE | | Authors: | Jensen, C.N, Ali, S.T, Allen, M.J, Grogan, G. | | Deposit date: | 2014-07-11 | | Release date: | 2014-10-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Exploring Nicotinamide Cofactor Promiscuity in Nad(P)H-Dependent Flavin Containing Monooxygenases (Fmos) Using Natural Variation within the Phosphate Binding Loop. Structure and Activity of Fmos from Cellvibrio Sp. Br and Pseudomonas Stutzeri NF13
J.Mol.Catal., 109, 2014
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4UTN
 | | Crystal structure of zebrafish Sirtuin 5 in complex with succinylated CPS1-peptide | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | | Authors: | Pannek, M, Gertz, M, Steegborn, C. | | Deposit date: | 2014-07-21 | | Release date: | 2014-08-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4URR
 | | Tailspike protein of Sf6 bacteriophage bound to Shigella flexneri O- antigen octasaccharide fragment | | Descriptor: | 1,2-ETHANEDIOL, BIFUNCTIONAL TAIL PROTEIN, MANGANESE (II) ION, ... | | Authors: | Gohlke, U, Heinemann, U, Seckler, R, Barbirz, S. | | Deposit date: | 2014-07-01 | | Release date: | 2015-07-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Bacteriophage Tailspikes and Bacterial O-Antigens as a Model System to Study Weak-Affinity Protein-Polysaccharide Interactions.
J.Am.Chem.Soc., 138, 2016
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4UUD
 | | Human dynamin 1 K44A superconstricted polymer stabilized with GTP | | Descriptor: | DYNAMIN-1 | | Authors: | Sundborger, A.C, Fang, S, Heymann, J.A, Ray, P, Chappie, J.S, Hinshaw, J.E. | | Deposit date: | 2014-07-25 | | Release date: | 2014-08-27 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (12.5 Å) | | Cite: | A Dynamin Mutant Defines a Superconstricted Prefission State.
Cell Rep., 8, 2014
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5R16
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 21, DMSO-free | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R1K
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 35, DMSO-free | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RG9
 | | Crystal Structure of Kemp Eliminase HG4 in unbound state, 277K | | Descriptor: | ACETATE ION, Kemp Eliminase HG4, SULFATE ION | | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | | Deposit date: | 2020-03-19 | | Release date: | 2020-07-22 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
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4UYS
 | | X-ray structure of the N-terminal domain of the flocculin Flo11 from Saccharomyces cerevisiae | | Descriptor: | FLOCCULATION PROTEIN FLO11, MAGNESIUM ION, SODIUM ION | | Authors: | Kraushaar, T, Veelders, M, Brueckner, S, Rhinow, D, Moesch, H.U, Essen, L.O. | | Deposit date: | 2014-09-03 | | Release date: | 2015-08-12 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Interactions by the Fungal Flo11 Adhesin Depend on a Fibronectin Type III-Like Adhesin Domain Girdled by Aromatic Bands.
Structure, 23, 2015
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5RJS
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z285642082 | | Descriptor: | N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide, PH-interacting protein | | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | | Deposit date: | 2020-06-02 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
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4W9B
 | | Crystal structure of Gamma-B Crystallin expressed in E. coli based on mRNA variant 1 | | Descriptor: | Gamma-crystallin B | | Authors: | Kudlinzki, D, Buhr, F, Linhard, V.L, Jha, S, Komar, A.A, Schwalbe, H. | | Deposit date: | 2014-08-27 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.279 Å) | | Cite: | Two synonymous gene variants encode proteins with identical sequence, but different folding conformations.
To Be Published
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4W9J
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-((S)-2-acetamido-4-methylpentanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 13) | | Descriptor: | N-acetyl-L-leucyl-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, Galdeano, C, van Molle, I, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.2 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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5RK9
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z461898648 | | Descriptor: | N,N-dimethyl-1H-pyrazole-4-carboxamide, PH-interacting protein | | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | | Deposit date: | 2020-06-02 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
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5RKQ
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1545196101 | | Descriptor: | 2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline, PH-interacting protein | | Authors: | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | | Deposit date: | 2020-06-02 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
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