2N5L
 
 | | Regnase-1 C-terminal domain | | Descriptor: | Ribonuclease ZC3H12A | | Authors: | Yokogawa, M, Tsushima, T, Noda, N.N, Kumeta, H, Adachi, W, Enokizono, Y, Yamashita, K, Standley, D.M, Takeuchi, O, Akira, S, Inagaki, F. | | Deposit date: | 2015-07-18 | | Release date: | 2016-03-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural basis for the regulation of enzymatic activity of Regnase-1 by domain-domain interactions
Sci Rep, 6, 2016
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5I3O
 | | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | | Descriptor: | BMP-2-inducible protein kinase, N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide, SULFATE ION | | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-02-10 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
To Be Published
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5I45
 | | 1.35 Angstrom Crystal Structure of C-terminal Domain of Glycosyl Transferase Group 1 Family Protein (LpcC) from Francisella tularensis. | | Descriptor: | Glycosyl transferases group 1 family protein | | Authors: | Minasov, G, Filippova, E, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-02-11 | | Release date: | 2016-02-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | 1.35 Angstrom Crystal Structure of C-terminal Domain of Glycosyl Transferase Group 1 Family Protein (LpcC) from Francisella tularensis.
To Be Published
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5FNI
 | | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | | Descriptor: | 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | | Deposit date: | 2015-11-15 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
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2N9Q
 | | Photoswitchable G-quadruplex | | Descriptor: | DNA (5'-D(*GP*GP*(AZW)P*GP*G)-3'), POTASSIUM ION | | Authors: | Thevarpadam, J, Bessi, I, Binas, O, Goncalves, D.P.N, Slavov, C, Jonker, H.R.A, Richter, C, Wachtveitl, J, Schwalbe, H, Heckel, A. | | Deposit date: | 2015-12-02 | | Release date: | 2016-02-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Photoresponsive Formation of an Intermolecular Minimal G-Quadruplex Motif.
Angew.Chem.Int.Ed.Engl., 55, 2016
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1DN6
 | | THE CRYSTAL STRUCTURE OF D(GGATGGGAG). AN ESSENTIAL PART OF THE BINDING SITE FOR TRANSCRIPTION FACTOR IIIA | | Descriptor: | DNA (5'-D(*CP*TP*CP*CP*CP*AP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*GP*GP*GP*AP*G)-3') | | Authors: | McCall, M, Brown, T, Hunter, W.N, Kennard, O. | | Deposit date: | 1987-05-11 | | Release date: | 1988-01-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The crystal structure of d(GGATGGGAG): an essential part of the binding site for transcription factor IIIA.
Nature, 322, 1986
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5FEP
 | | HydE from T. maritima in complex with (2R,4R)-MeTDA | | Descriptor: | (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ... | | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | | Deposit date: | 2015-12-17 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
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1CQM
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1D4R
 | | 29-mer fragment of human srp rna helix 6 | | Descriptor: | 29-MER OF MODIFIED SRP RNA HELIX 6, MAGNESIUM ION | | Authors: | Wild, K, Weichenrieder, O, Leonard, G.A, Cusack, S. | | Deposit date: | 1999-10-05 | | Release date: | 1999-12-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The 2 A structure of helix 6 of the human signal recognition particle RNA
Structure Fold.Des., 7, 1999
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5FG5
 | | Crystal structure of the bromodomain of human BRPF1 in complex with PFI-4 chemical probe | | Descriptor: | NITRATE ION, Peregrin, ~{N}-(1,3-dimethyl-2-oxidanylidene-6-pyrrolidin-1-yl-benzimidazol-5-yl)-2-methoxy-benzamide | | Authors: | Tallant, C, Owen, D.R, Gerstenberger, B.S, Savitsky, P, Chaikuad, A, Fedorov, O, Nunez-Alonso, G, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Brennan, P.E, Knapp, S. | | Deposit date: | 2015-12-20 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the bromodomain of human BRPF1 in complex with PFI-4 chemical probe
To Be Published
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1CED
 | | THE STRUCTURE OF CYTOCHROME C6 FROM MONORAPHIDIUM BRAUNII, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | CYTOCHROME C6, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Banci, L, Bertini, I, Quacquarini, G, Walter, O, Diaz, A, Hervas, M, De La Rosa, M.A. | | Deposit date: | 1996-03-06 | | Release date: | 1996-08-17 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | The solution structure of cytochrome c6 from the green alga Monoraphidium braunii
J.Biol.Inorg.Chem., 1, 1996
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5FNJ
 | | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | | Descriptor: | 2-(4-ethoxyphenyl)ethanoic acid, CARBONIC ANHYDRASE 2, CHLORIDE ION, ... | | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | | Deposit date: | 2015-11-15 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
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1ERY
 | | PHEROMONE ER-11, NMR | | Descriptor: | PHEROMONE ER-11 | | Authors: | Luginbuhl, P, Wu, J, Zerbe, O, Ortenzi, C, Luporini, P, Wuthrich, K. | | Deposit date: | 1996-03-22 | | Release date: | 1996-08-17 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | The NMR solution structure of the pheromone Er-11 from the ciliated protozoan Euplotes raikovi.
Protein Sci., 5, 1996
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1E8C
 | | Structure of MurE the UDP-N-acetylmuramyl tripeptide synthetase from E. coli | | Descriptor: | 2,6-DIAMINOPIMELIC ACID, CHLORIDE ION, UDP-N-ACETYLMURAMOYLALANYL-D-GLUTAMATE--2,6-DIAMINOPIMELATE LIGASE, ... | | Authors: | Gordon, E.J, Chantala, L, Dideberg, O. | | Deposit date: | 2000-09-19 | | Release date: | 2001-09-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Udp-N-Acetylmuramoyl-L-Alanyl-D-Glutamate: Meso-Diaminopimelate Ligase from Escherichia Coli
J.Biol.Chem., 276, 2001
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5I3R
 | | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | | Descriptor: | BMP-2-inducible protein kinase, N-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]cyclopropanecarboxamide, PHOSPHATE ION | | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-02-10 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
To Be Published
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2NDO
 | | Structure of EcDsbA-sulfonamide1 complex | | Descriptor: | 2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid, Thiol:disulfide interchange protein DsbA | | Authors: | Williams, M.L, Doak, B.C, Vazirani, M, Ilyichova, O, Wang, G, Bermel, W, Simpson, J.S, Chalmers, D.K, King, G.F, Mobli, M, Scanlon, M.J. | | Deposit date: | 2016-08-22 | | Release date: | 2017-02-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Determination of ligand binding modes in weak protein-ligand complexes using sparse NMR data.
J.Biomol.Nmr, 66, 2016
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2O9X
 | | Crystal Structure Of A Putative Redox Enzyme Maturation Protein From Archaeoglobus Fulgidus | | Descriptor: | Reductase, assembly protein | | Authors: | Kirillova, O, Chruszcz, M, Skarina, T, Gorodichtchenskaia, E, Cymborowski, M, Shumilin, I, Savchenko, A, Edwards, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-12-14 | | Release date: | 2007-01-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | An extremely SAD case: structure of a putative redox-enzyme maturation protein from Archaeoglobus fulgidus at 3.4 A resolution.
Acta Crystallogr.,Sect.D, 63, 2007
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5FES
 | | HydE from T. maritima in complex with (2R,4R)-MeSeTDA | | Descriptor: | (2~{R},4~{R})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ... | | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | | Deposit date: | 2015-12-17 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
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2NWX
 | | Crystal structure of GltPh in complex with L-aspartate and sodium ions | | Descriptor: | 425aa long hypothetical proton glutamate symport protein, ASPARTIC ACID, PALMITIC ACID, ... | | Authors: | Gouaux, E, Boudker, O, Ryan, R, Yernool, D, Shimamoto, K. | | Deposit date: | 2006-11-16 | | Release date: | 2007-02-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Coupling substrate and ion binding to extracellular gate of a sodium-dependent aspartate transporter.
Nature, 445, 2007
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5FF2
 | | HydE from T. maritima in complex with (2R,4R)-TDA | | Descriptor: | (2~{R},4~{R})-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ... | | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | | Deposit date: | 2015-12-17 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
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2NS0
 | | Crystal structure of protein RHA04536 from Rhodococcus sp | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Hypothetical protein | | Authors: | Chang, C, Skarina, T, Onopriyenko, O, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-11-02 | | Release date: | 2006-12-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | Crystal structure of protein RHA04536 from Rhodococcus sp
To be Published
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1D3U
 | | TATA-BINDING PROTEIN/TRANSCRIPTION FACTOR (II)B/BRE+TATA-BOX COMPLEX FROM PYROCOCCUS WOESEI | | Descriptor: | DNA 23-MER: BRE+TATA-BOX, DNA 24-MER: BRE+TATA-BOX, TATA-BINDING PROTEIN, ... | | Authors: | Littlefield, O, Korkhin, Y, Sigler, P.B. | | Deposit date: | 1999-10-01 | | Release date: | 1999-11-15 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The structural basis for the oriented assembly of a TBP/TFB/promoter complex.
Proc.Natl.Acad.Sci.USA, 96, 1999
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5FH8
 | | Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28 | | Descriptor: | 1,2-ETHANEDIOL, 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one, DIMETHYL SULFOXIDE, ... | | Authors: | Tallant, C, Sutherell, C.L, Siejka, P, Sorrell, F.J, Krojer, T, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S. | | Deposit date: | 2015-12-21 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
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2NWW
 | | Crystal structure of GltPh in complex with TBOA | | Descriptor: | (3S)-3-(BENZYLOXY)-L-ASPARTIC ACID, 425aa long hypothetical proton glutamate symport protein | | Authors: | Gouaux, E, Boudker, O, Ryan, R, Yernool, D, Shimamoto, K. | | Deposit date: | 2006-11-16 | | Release date: | 2007-02-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Coupling substrate and ion binding to extracellular gate of a sodium-dependent aspartate transporter.
Nature, 445, 2007
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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
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