4W9G
 
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(3-methyl-4-(thiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 6) | | Descriptor: | (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[3-methyl-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 (2.7 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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4DN4
 | | Crystal structure of the complex between cnto888 fab and mcp-1 mutant p8a | | Descriptor: | ACETATE ION, C-C motif chemokine 2, CNTO888 HEAVY CHAIN, ... | | Authors: | Obmolova, G, Teplyakov, A, Malia, T, Grygiel, T, Sweet, R, Snyder, L, Gilliland, G. | | Deposit date: | 2012-02-08 | | Release date: | 2012-10-03 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for high selectivity of anti-CCL2 neutralizing antibody CNTO 888.
Mol.Immunol., 51, 2012
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4DRM
 | | EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | | Authors: | Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F. | | Deposit date: | 2012-02-17 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
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8CH4
 | | Crystal structure of the ring cleaving dioxygenase 5-nitrosalicylate 1,2-dioxygenase from Bradyrhizobium sp. | | Descriptor: | 5-nitrosalicylic acid 1,2-dioxygenase, FE (III) ION | | Authors: | Ferraroni, M, Stolz, A, Eppinger, E. | | Deposit date: | 2023-02-07 | | Release date: | 2023-07-05 | | Last modified: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the monocupin ring-cleaving dioxygenase 5-nitrosalicylate 1,2-dioxygenase from Bradyrhizobium sp.
Acta Crystallogr D Struct Biol, 79, 2023
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4DSN
 | | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | | Descriptor: | 1,2-ETHANEDIOL, GTPase KRas, isoform 2B, ... | | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | | Deposit date: | 2012-02-19 | | Release date: | 2012-04-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
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8CDQ
 | | Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002 and Mg.ATP-gamma-S | | Descriptor: | 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine, GLYCEROL, ... | | Authors: | Moussaoui, D, Robblee, J.P, Robert-Paganin, J, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Schaletzky, J, Wehri, E, Mueller-Dieckmann, C, Baum, J, Trybus, K.M, Houdusse, A. | | Deposit date: | 2023-01-31 | | Release date: | 2023-06-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design.
Nat Commun, 14, 2023
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4DU6
 | | Crystal structure of GTP cyclohydrolase I from Yersinia pestis complexed with GTP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Maltseva, N, Kim, Y, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-02-21 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.106 Å) | | Cite: | Crystal structure of GTP cyclohydrolase I from Yersinia pestis complexed with GTP
To be Published
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8C05
 | | LOV-activated diguanylate cyclase, dark-state structure | | Descriptor: | DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, ... | | Authors: | Vide, U, Winkler, A. | | Deposit date: | 2022-12-15 | | Release date: | 2023-07-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Illuminating the inner workings of a natural protein switch: Blue-light sensing in LOV-activated diguanylate cyclases.
Sci Adv, 9, 2023
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8C66
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4USX
 | | The Structure of the C-terminal YadA-like domain of BPSL2063 from Burkholderia pseudomallei | | Descriptor: | MAGNESIUM ION, TRIMERIC AUTOTRANSPORTER ADHESIN | | Authors: | Perletti, L, Gourlay, L.J, Peano, C, Pietrelli, A, DeBellis, G, Deantonio, C, Santoro, C, Sblattero, D, Bolognesi, M. | | Deposit date: | 2014-07-16 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Selecting Soluble/Foldable Protein Domains Through Single-Gene or Genomic Orf Filtering: Structure of the Head Domain of Burkholderia Pseudomallei Antigen Bpsl2063.
Acta Crystallogr.,Sect.D, 71, 2015
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4W8K
 | | Crystal structure of a putative Cas1 enzyme from Vibrio phage ICP1 | | Descriptor: | Cas1 protein, POTASSIUM ION | | Authors: | Stogios, P.J, Wawrzak, Z, Onopriyeno, O, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-08-25 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | To be published
To Be Published
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8CLR
 | | Integrated NMR/MD structure determination of a dynamic and thermodynamically stable CUUG RNA tetraloop | | Descriptor: | RNA hairpin with CUUG tetraloop | | Authors: | Oxenfarth, A, Kuemmerer, F, Bottaro, S, Schnieders, R, Pinter, G, Jonker, H.R.A, Fuertig, B, Richter, C, Blackledge, M, Lindorff-Larsen, K, Schwalbe, H. | | Deposit date: | 2023-02-17 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Integrated NMR/Molecular Dynamics Determination of the Ensemble Conformation of a Thermodynamically Stable CUUG RNA Tetraloop.
J.Am.Chem.Soc., 145, 2023
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4W9D
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methyloxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 3) | | Descriptor: | (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Gadd, M.S, Hewitt, S, 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 (2.2 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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4DE8
 | | LytR-Cps2a-Psr family protein with bound octaprenyl monophosphate lipid | | Descriptor: | (2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl dihydrogen phosphate, Cps2A, DI(HYDROXYETHYL)ETHER | | Authors: | Eberhardt, A, Hoyland, C.N, Vollmer, D.V, Bisle, S, Cleverley, R.M, Johnsborg, O, Havarstein, L.S, Lewis, R.J, Vollmer, W. | | Deposit date: | 2012-01-20 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Attachment of Capsular Polysaccharide to the Cell Wall in Streptococcus pneumoniae.
Microb Drug Resist, 18, 2012
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4DCI
 | | Crystal structure of unknown funciton protein from Synechococcus sp. WH 8102 | | Descriptor: | SULFATE ION, uncharacterized protein | | Authors: | Chang, C, Marshall, N, Bearden, J, Palenik, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-01-17 | | Release date: | 2012-02-01 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Crystal structure of unknown function protein from Synechococcus sp. WH 8102
To be Published
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4UYK
 | | Crystal structure of a Signal Recognition Particle Alu domain in the elongation arrest conformation | | Descriptor: | SIGNAL RECOGNITION PARTICLE 14 KDA PROTEIN, SIGNAL RECOGNITION PARTICLE 9 KDA PROTEIN, SRP RNA | | Authors: | Bousset, L, Mary, C, Brooks, M.A, Scherrer, A, Strub, K, Cusack, S. | | Deposit date: | 2014-09-01 | | Release date: | 2014-11-05 | | Last modified: | 2014-12-03 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Crystal Structure of a Signal Recognition Particle Alu Domain in the Elongation Arrest Conformation.
RNA, 20, 2014
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4DGT
 | | Crystal structure of PLP-bound putative aminotransferase from Clostridium difficile 630 crystallized with magnesium formate | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Shabalin, I.G, Onopriyenko, O, Kudritska, M, Chruszcz, M, Grimshaw, S, Porebski, P.J, Cooper, D.R, Savchenko, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-01-26 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structures of putative aminotransferase from Clostridium difficile
630
to be published
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4UQK
 | | Electron density map of GluA2em in complex with quisqualate and LY451646 | | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2 | | Authors: | Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S. | | Deposit date: | 2014-06-24 | | Release date: | 2014-08-13 | | Last modified: | 2017-08-02 | | Method: | ELECTRON MICROSCOPY (16.4 Å) | | Cite: | Structural Mechanism of Glutamate Receptor Activation and Desensitization
Nature, 514, 2014
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4V0Z
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4UXS
 | | Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN-3 MOTOR DOMAIN, ... | | Authors: | Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-24 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins.
Elife, 3, 2014
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4V4O
 | | Crystal Structure of the Chaperonin Complex Cpn60/Cpn10/(ADP)7 from Thermus Thermophilus | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Shimamura, T, Koike-Takeshita, A, Yokoyama, K, Masui, R, Murai, N, Yoshida, M, Taguchi, H, Iwata, S. | | Deposit date: | 2004-05-23 | | Release date: | 2014-07-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the native chaperonin complex from Thermus thermophilus revealed unexpected asymmetry at the cis-cavity
STRUCTURE, 12, 2004
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4DKW
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4DLM
 | | Crystal structure of an amidohydrolase (COG3618) from burkholderia multivorans (TARGET EFI-500235) with bound ZN, space group P212121 | | Descriptor: | Amidohydrolase 2, ZINC ION | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N.F, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-06 | | Release date: | 2012-02-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.925 Å) | | Cite: | Crystal structure of an amidohydrolase (COG3618) from burkholderia multivorans (TARGET EFI-500235) with bound ZN, space group P212121
to be published
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4DMB
 | | X-ray structure of human hepatitus C virus NS5A-transactivated protein 2 at the resolution 1.9A, Northeast Structural Genomics Consortium (NESG) Target HR6723 | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, HD domain-containing protein 2, ... | | Authors: | Kuzin, A, Su, M, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG), Mitochondrial Protein Partnership (MPP) | | Deposit date: | 2012-02-07 | | Release date: | 2012-04-04 | | Last modified: | 2012-04-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Northeast Structural Genomics Consortium Target HR6723
To be Published
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4V3F
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