4O2D
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6CHD
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5US4
| Crystal structure of human KRAS G12D mutant in complex with GDP | Descriptor: | GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Tran, T, Kaplan, A, Stockwell, B.R, Tong, L. | Deposit date: | 2017-02-13 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Multivalent Small-Molecule Pan-RAS Inhibitors. Cell, 168, 2017
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3GN2
| Structure of Pteridine Reductase 1 (PTR1) from TRYPANOSOMA BRUCEI in ternary complex with cofactor (NADP+) and inhibitor (DDD00066730) | Descriptor: | 1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Tulloch, L.B, Brenk, R, Hunter, W.N. | Deposit date: | 2009-03-16 | Release date: | 2009-12-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening. J.Med.Chem., 52, 2009
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1G5W
| SOLUTION STRUCTURE OF HUMAN HEART-TYPE FATTY ACID BINDING PROTEIN | Descriptor: | FATTY ACID-BINDING PROTEIN | Authors: | Luecke, C, Rademacher, M, Zimmerman, A, van Moerkerk, H.T.B, Veerkamp, J.H, Rueterjans, H. | Deposit date: | 2000-11-02 | Release date: | 2001-03-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Spin-system heterogeneities indicate a selected-fit mechanism in fatty acid binding to heart-type fatty acid-binding protein (H-FABP). Biochem.J., 354, 2001
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8DEA
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8DG6
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6V9K
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3NMQ
| Hsp90b N-terminal domain in complex with EC44, a pyrrolo-pyrimidine methoxypyridine inhibitor | Descriptor: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-beta | Authors: | Arndt, J.W, Yun, T.J, Harning, E.K, Giza, K, Rabah, D, Li, P, Luchetti, D, Shi, J, Manning, A, Kehry, M.R. | Deposit date: | 2010-06-22 | Release date: | 2010-12-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | EC144, a Synthetic Inhibitor of Heat Shock Protein 90, Blocks Innate and Adaptive Immune Responses in Models of Inflammation and Autoimmunity. J.Immunol., 186, 2011
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3MXF
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JQ1 | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-05-07 | Release date: | 2010-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Selective inhibition of BET bromodomains. Nature, 468, 2010
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2V5E
| The structure of the GDNF:Coreceptor complex: Insights into RET signalling and heparin binding. | Descriptor: | 1,2-ETHANEDIOL, 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Parkash, V, Leppanen, V.-M, Virtanen, H, Jurvansuu, J.-M, Bespalov, M.M, Sidorova, Y.A, Runeberg-Roos, P, Saarma, M, Goldman, A. | Deposit date: | 2008-10-03 | Release date: | 2008-10-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Structure of the Glial Cell Line-Derived Neurotrophic Factor-Coreceptor Complex: Insights Into Ret Signaling and Heparin Binding. J.Biol.Chem., 283, 2008
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1XRT
| The Crystal Structure of a Novel, Latent Dihydroorotase from Aquifex Aeolicus at 1.7 A Resolution | Descriptor: | Dihydroorotase, ZINC ION | Authors: | Martin, P.D, Purcarea, C, Zhang, P, Vaishnav, A, Sadecki, S, Guy-Evans, H.I, Evans, D.R, Edwards, B.F. | Deposit date: | 2004-10-15 | Release date: | 2005-07-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.609 Å) | Cite: | The crystal structure of a novel, latent dihydroorotase from Aquifex aeolicus at 1.7A resolution J.Mol.Biol., 348, 2005
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1MPC
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5MKR
| HSP72-NBD bound to compound TCI 8 - Tyr15 in up-conformation | Descriptor: | 3-[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate, CITRATE ANION, Heat shock 70 kDa protein 1A | Authors: | Pettinger, J, Westwood, I.M, Cronin, N, Le Bihan, Y.-V, Van Montfort, R.L.M. | Deposit date: | 2016-12-05 | Release date: | 2017-03-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | An Irreversible Inhibitor of HSP72 that Unexpectedly Targets Lysine-56. Angew. Chem. Int. Ed. Engl., 56, 2017
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7EIV
| heterotetrameric glycyl-tRNA synthetase from Escherichia coli | Descriptor: | GLYCINE, Glycine--tRNA ligase alpha subunit, Glycine--tRNA ligase beta subunit, ... | Authors: | Ju, Y, Zhou, H. | Deposit date: | 2021-03-31 | Release date: | 2021-08-11 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | X-shaped structure of bacterial heterotetrameric tRNA synthetase suggests cryptic prokaryote functions and a rationale for synthetase classifications. Nucleic Acids Res., 49, 2021
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2V6S
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1HPJ
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3I4Q
| Structure of a putative inorganic pyrophosphatase from the oil-degrading bacterium Oleispira antarctica | Descriptor: | APC40078, SODIUM ION | Authors: | Singer, A.U, Evdokimova, E, Kagan, O, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-07-02 | Release date: | 2009-07-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica. Nat Commun, 4, 2013
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1B3D
| STROMELYSIN-1 | Descriptor: | CALCIUM ION, N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID, STROMELYSIN-1, ... | Authors: | Chen, L, Rydel, T.J, Dunaway, C.M, Pikul, S, Dunham, K.M, Gu, F, Barnett, B.L. | Deposit date: | 1998-12-09 | Release date: | 1999-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the stromelysin catalytic domain at 2.0 A resolution: inhibitor-induced conformational changes. J.Mol.Biol., 293, 1999
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3POK
| Interleukin-1-beta LBT L3 Mutant | Descriptor: | Interleukin-1 beta | Authors: | Barthelmes, K, Reynolds, A.M, Peisach, E, Jonker, H.R.A, DeNunzio, N.J, Allen, K.N, Imperiali, B, Schwalbe, H. | Deposit date: | 2010-11-22 | Release date: | 2011-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Engineering encodable lanthanide-binding tags into loop regions of proteins. J.Am.Chem.Soc., 133, 2011
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7LP5
| Structure of Nedd4L WW3 domain | Descriptor: | Angiomotin,E3 ubiquitin-protein ligase NEDD4-like | Authors: | Alam, S.L, Alian, A, Thompson, T, Rheinemann, L, Volkman, B.F, Peterson, F.C, Sundquist, W.I. | Deposit date: | 2021-02-11 | Release date: | 2021-07-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Interactions between AMOT PPxY motifs and NEDD4L WW domains function in HIV-1 release. J.Biol.Chem., 297, 2021
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3HMB
| Mutant endolysin from Bacillus subtilis | Descriptor: | N-acetylmuramoyl-L-alanine amidase xlyA, ZINC ION | Authors: | Low, L.Y, Liddington, R. | Deposit date: | 2009-05-29 | Release date: | 2010-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Role of net charge on catalytic domain and influence of cell wall binding domain on bactericidal activity, specificity, and host range of phage lysins. J.Biol.Chem., 286, 2011
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456D
| MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGMO6AATCCGCG): THE WATSON-CRICK TYPE N6-METHOXYADENOSINE/CYTIDINE BASE-PAIRS IN B-DNA | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*(A47)P*AP*TP*CP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Chatake, T, Ono, A, Ueno, Y, Matsuda, A, Takenaka, A. | Deposit date: | 1999-03-06 | Release date: | 2000-01-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic studies on damaged DNAs. I. An N(6)-methoxyadenine residue forms a Watson-Crick pair with a cytosine residue in a B-DNA duplex. J.Mol.Biol., 294, 1999
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3PI9
| Site-specific Glycosylation of Hemoglobin Utilizing Oxime Ligation Chemistry as a Viable Alternative to PEGylation | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Bhatt, V.S, Styslinger, T.J, Zhang, N, Wang, P.G, Palmer, A.F. | Deposit date: | 2010-11-05 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: |
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5FSA
| Crystal structure of sterol 14-alpha demethylase (CYP51) from a pathogenic yeast Candida albicans in complex with the antifungal drug posaconazole | Descriptor: | CYP51 VARIANT1, POSACONAZOLE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hargrove, T.Y, Wawrzak, Z, Friggeri, L, Lepesheva, G.I. | Deposit date: | 2016-01-02 | Release date: | 2017-03-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Structural analyses of Candida albicans sterol 14 alpha-demethylase complexed with azole drugs address the molecular basis of azole-mediated inhibition of fungal sterol biosynthesis. J. Biol. Chem., 292, 2017
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