6FTR
 
 | | Serial Femtosecond Crystallography at Megahertz pulse rates | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N. | | Deposit date: | 2018-02-23 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.76000106 Å) | | Cite: | Megahertz serial crystallography.
Nat Commun, 9, 2018
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5BN9
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6HAD
 | | Human transketolase variant E160Q | | Descriptor: | CALCIUM ION, MAGNESIUM ION, SODIUM ION, ... | | Authors: | Dai, S, Sautner, V, Tittmann, K. | | Deposit date: | 2018-08-07 | | Release date: | 2019-08-21 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Low-barrier hydrogen bonds in enzyme cooperativity.
Nature, 573, 2019
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6HDP
 | | Human DYRK2 bound to Scorzodihydrostilbene A | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, SODIUM ION, Scorzodihydrostilbene A | | Authors: | Elkins, J.M, Soundararajan, M, Proksch, P, Meijer, L, Vollmar, M, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S. | | Deposit date: | 2018-08-18 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | DYRK2 bound to Scorzodihydrostilbene A
To Be Published
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6GD3
 | | Structure of HuR RRM3 in complex with RNA (UAUUUA) | | Descriptor: | ELAV-like protein 1, RNA (5'-R(P*UP*AP*UP*UP*UP*A)-3'), SODIUM ION | | Authors: | Pabis, M, Sattler, M. | | Deposit date: | 2018-04-21 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | HuR biological function involves RRM3-mediated dimerization and RNA binding by all three RRMs.
Nucleic Acids Res., 47, 2019
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2B8S
 | | Structure of HIV-1(MAL) genomic RNA DIS | | Descriptor: | 5'-R(*CP*UP*UP*GP*CP*UP*GP*AP*GP*GP*UP*GP*CP*AP*CP*AP*CP*AP*GP*CP*AP*AP*G)-3', MAGNESIUM ION, SODIUM ION, ... | | Authors: | Ennifar, E, Walter, P, Ehresmann, B, Ehresmann, C, Dumas, P. | | Deposit date: | 2005-10-10 | | Release date: | 2005-10-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Crystal structures of coaxially stacked kissing complexes of the HIV-1 RNA dimerization initiation site
NAT.STRUCT.BIOL., 8, 2001
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6FP4
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1,8-Naphthyridine-2-carboxylic acid | | Descriptor: | (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 1,8-naphthyridine-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | | Deposit date: | 2018-02-09 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.
ACS Chem. Biol., 13, 2018
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5AMF
 | | Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment Ethyl 4,5,6,7- tetrahydro-1H-indazole-5-carboxylate (SGC - Diamond I04-1 fragment screening) | | Descriptor: | BROMODOMAIN-CONTAINING PROTEIN 1, ETHYL (5R)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLATE, SODIUM ION | | Authors: | Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F. | | Deposit date: | 2015-03-10 | | Release date: | 2015-03-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment Ethyl 4,5,6,7-Tetrahydro-1H-Indazole-5-Carboxylate
To be Published
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5AME
 | | Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment 4-acetyl- piperazin-2-one (SGC - Diamond I04-1 fragment screening) | | Descriptor: | 4-acetyl-piperazin-2-one, BROMODOMAIN-CONTAINING PROTEIN 1, SODIUM ION | | Authors: | Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F. | | Deposit date: | 2015-03-10 | | Release date: | 2015-03-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.578 Å) | | Cite: | Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One
To be Published
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3JW2
 | | HIV-1 Protease Mutant G86S with DARUNAVIR | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, Gag-Pol polyprotein, ... | | Authors: | Tie, Y, Weber, I.T. | | Deposit date: | 2009-09-17 | | Release date: | 2009-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Highly conserved glycine 86 and arginine 87 residues contribute differently to the structure and activity of the mature HIV-1 protease
Proteins, 78, 2009
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6JKI
 | | Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD from Pseudomonas aeruginosa | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Jaroensuk, J, Liew, C.W, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Zhong, W.H, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M. | | Deposit date: | 2019-03-01 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD fromPseudomonas aeruginosa.
Rna, 25, 2019
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5BW6
 | | Tryptophan Synthase from Salmonella typhimurium in complex with a single molecule of 2-({[4-(trifluoromethoxy)phenyl]carbonyl}amino)ethyl dihydrogen phosphate (F6) in the alpha-site. | | Descriptor: | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | | Authors: | Hilario, E, Caulkins, B.G, Young, R.P, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2015-06-06 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water.
Biochim.Biophys.Acta, 1864, 2016
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6G1B
 | | Corynebacterium glutamicum OxyR, oxidized form | | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, FORMIC ACID, HYDROGEN PEROXIDE, ... | | Authors: | Young, D.R, Pedre, B.P, Messens, J.M. | | Deposit date: | 2018-03-21 | | Release date: | 2018-12-05 | | Last modified: | 2018-12-19 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural snapshots of OxyR reveal the peroxidatic mechanism of H2O2sensing.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5BWI
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6G1D
 | | Corynebacterium glutamicum OxyR C206 mutant | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | | Authors: | Young, D.R, Pedre, B.P, Messens, J.M. | | Deposit date: | 2018-03-21 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.992 Å) | | Cite: | Structural snapshots of OxyR reveal the peroxidatic mechanism of H2O2sensing.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6JJE
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6JJG
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6JJF
 | | Crystal structure of a two-quartet DNA mixed-parallel/antiparallel G-quadruplex | | Descriptor: | COBALT HEXAMMINE(III), DNA (5'-D(*GP*GP*CP*TP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3'), POTASSIUM ION, ... | | Authors: | Zhang, Y.S, EI Omari, K, Duman, R, Wagner, A, Parkinson, G.N, Wei, D.G. | | Deposit date: | 2019-02-25 | | Release date: | 2020-02-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
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3PZB
 | | Crystals Structure of Aspartate beta-Semialdehyde Dehydrogenase complex with NADP and D-2,3-Diaminopropionate | | Descriptor: | 1,2-ETHANEDIOL, 3-amino-D-alanine, Aspartate-semialdehyde dehydrogenase, ... | | Authors: | Pavlovsky, A.G, Viola, R.E. | | Deposit date: | 2010-12-14 | | Release date: | 2012-01-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.
Chem.Biol.Drug Des., 79, 2012
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2AHR
 | | Crystal Structures of 1-Pyrroline-5-Carboxylate Reductase from Human Pathogen Streptococcus pyogenes | | Descriptor: | FORMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ... | | Authors: | Nocek, B, Lezondra, L, Holzle, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-07-28 | | Release date: | 2005-09-13 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal Structures of Delta(1)-Pyrroline-5-carboxylate Reductase from Human Pathogens Neisseria meningitides and Streptococcus pyogenes
J.Mol.Biol., 354, 2005
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3PMB
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1BUN
 | | STRUCTURE OF BETA2-BUNGAROTOXIN: POTASSIUM CHANNEL BINDING BY KUNITZ MODULES AND TARGETED PHOSPHOLIPASE ACTION | | Descriptor: | BETA2-BUNGAROTOXIN, SODIUM ION | | Authors: | Kwong, P.D, Mcdonald, N.Q, Sigler, P.B, Hendrickson, W.A. | | Deposit date: | 1995-10-15 | | Release date: | 1996-04-03 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of beta 2-bungarotoxin: potassium channel binding by Kunitz modules and targeted phospholipase action.
Structure, 3, 1995
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6H83
 | | MamM CTD D249H - Copper form | | Descriptor: | BETA-MERCAPTOETHANOL, COPPER (II) ION, Magnetosome protein MamM, ... | | Authors: | Barber-Zucker, S, Zarivach, R. | | Deposit date: | 2018-08-01 | | Release date: | 2019-08-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | MamM CTD D249H - Copper form
To Be Published
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6H90
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5BS4
 | | HIV-1 wild Type protease with GRL-047-11A (a methylamine bis-Tetrahydrofuran P2-Ligand, 4-amino sulfonamide derivative) | | Descriptor: | (3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2015-06-01 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies.
J.Med.Chem., 58, 2015
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