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7RRD	IDO1 IN COMPLEX WITH COMPOUND S-1 Descriptor: 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide, Indoleamine 2,3-dioxygenase 1 Authors: Lesburg, C.A. Deposit date: 2021-08-09 Release date: 2022-08-24 Method: X-RAY DIFFRACTION (2.76 Å) Cite: Oxetane promise delivered: discovery of long acting IDO1 inhibitors suitable for Q3W oral or parenteral dosing To Be Published
3MLQ	Crystal structure of the Thermus thermophilus transcription-repair coupling factor RNA polymerase interacting domain with the Thermus aquaticus RNA polymerase beta1 domain Descriptor: DNA-directed RNA polymerase subunit beta, PHOSPHATE ION, Transcription-repair coupling factor Authors: Darst, S.A, Westblade, L.F, Campbell, E.A. Deposit date: 2010-04-18 Release date: 2010-10-13 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.91 Å) Cite: Structural basis for the bacterial transcription-repair coupling factor/RNA polymerase interaction. Nucleic Acids Res., 38, 2010
2AUC	Structure of the Plasmodium MTIP-MyoA complex, a key component of the parasite invasion motor Descriptor: Myosin A, Myosin A Tail Interacting Protein Authors: Bosch, J, Turley, S, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) Deposit date: 2005-08-27 Release date: 2006-01-17 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structure of the MTIP-MyoA complex, a key component of the malaria parasite invasion motor. Proc.Natl.Acad.Sci.Usa, 103, 2006
5ED2	Human Adenosine Deaminase Acting on dsRNA (ADAR2) mutant E488Q bound to dsRNA sequence derived from human GLI1 gene Descriptor: Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5'-R(P*CP*AP*GP*AP*GP*CP*CP*CP*CP*CP*CP*AP*GP*CP*AP*UP*CP*GP*CP*GP*AP*GP*C)-3'), ... Authors: Matthews, M.M, Fisher, A.J. Deposit date: 2015-10-20 Release date: 2016-04-13 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.95 Å) Cite: Structures of human ADAR2 bound to dsRNA reveal base-flipping mechanism and basis for site selectivity. Nat.Struct.Mol.Biol., 23, 2016
5TTB	Solution structure of apo ArCP from yersiniabactin synthetase Descriptor: Siderophore yersiniabactin Authors: Frueh, D.P, Goodrich, A.C. Deposit date: 2016-11-02 Release date: 2017-05-10 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Molecular impact of covalent modifications on nonribosomal peptide synthetase carrier protein communication. J. Biol. Chem., 292, 2017
8GEX	Crystal structure of the ferric enterobactin transporter (XusB) from Bacteroides thetaiotaomicron Descriptor: DUF4374 domain-containing protein Authors: Perera, Y.R, Chazin, W.J. Deposit date: 2023-03-07 Release date: 2023-08-02 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Iron acquisition by a commensal bacterium modifies host nutritional immunity during Salmonella infection. Biorxiv, 2023
5XFI	Crystal structure of Calsepa lectin in complex with biantennary N-glycan Descriptor: 1,2-ETHANEDIOL, BENZOIC ACID, Lectin, ... Authors: Nagae, M, Yamaguchi, Y. Deposit date: 2017-04-10 Release date: 2017-10-18 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.653 Å) Cite: Distinct roles for each N-glycan branch interacting with mannose-binding type Jacalin-related lectins Orysata and Calsepa. Glycobiology, 27, 2017
5XFH	Crystal structure of Orysata lectin in complex with biantennary N-glycan Descriptor: Salt stress-induced protein, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose Authors: Nagae, M, Yamaguchi, Y. Deposit date: 2017-04-10 Release date: 2017-10-18 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.903 Å) Cite: Distinct roles for each N-glycan branch interacting with mannose-binding type Jacalin-related lectins Orysata and Calsepa. Glycobiology, 27, 2017
5KIC	Long-sought stabilization of berkelium(IV) in solution: An anomaly within the heavy actinide series Descriptor: CALIFORNIUM ION, CHLORIDE ION, N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide], ... Authors: Rupert, P.B, Strong, R.K. Deposit date: 2016-06-16 Release date: 2017-04-26 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Chelation and stabilization of berkelium in oxidation state +IV. Nat Chem, 9, 2017
1TEC	CRYSTALLOGRAPHIC REFINEMENT BY INCORPORATION OF MOLECULAR DYNAMICS. THE THERMOSTABLE SERINE PROTEASE THERMITASE COMPLEXED WITH EGLIN-C Descriptor: CALCIUM ION, EGLIN C, SODIUM ION, ... Authors: Gros, P, Dijkstra, B.W, Hol, W.G.J. Deposit date: 1989-05-24 Release date: 1989-10-15 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystallographic refinement by incorporation of molecular dynamics: thermostable serine protease thermitase complexed with eglin c. Acta Crystallogr.,Sect.B, 45, 1989
5YTX	Crystal structure of YB1 cold-shock domain in complex with UCAACU Descriptor: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*UP*CP*AP*AP*CP*U)-3') Authors: Yang, X, Huang, Y. Deposit date: 2017-11-20 Release date: 2018-12-05 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.551 Å) Cite: Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA. J.Biol.Chem., 294, 2019
5YTT	Crystal structure of YB1 cold-shock domain in complex with UCAUGU Descriptor: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*UP*CP*AP*UP*GP*U)-3'), SULFATE ION Authors: Yang, X, Huang, Y. Deposit date: 2017-11-20 Release date: 2018-12-05 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA. J.Biol.Chem., 294, 2019
1UKH	Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125 Descriptor: 11-mer peptide from C-jun-amino-terminal kinase interacting protein 1, Mitogen-activated protein kinase 8 isoform 4 Authors: Heo, Y.-S, Kim, Y.K, Sung, B.-J, Lee, H.S, Lee, J.I, Seo, C.I, Park, S.-Y, Kim, J.H, Hyun, Y.-L, Jeon, Y.H, Ro, S, Lee, T.G, Cho, J.M, Hwang, K.Y, Yang, C.-H. Deposit date: 2003-08-23 Release date: 2004-08-30 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125 Embo J., 23, 2004
1UKI	Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125 Descriptor: 11-mer peptide from C-jun-amino-terminal kinase interacting protein 1, 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, mitogen-activated protein kinase 8 isoform 4 Authors: Heo, Y.-S, Kim, Y.K, Sung, B.-J, Lee, H.S, Lee, J.I, Seo, C.I, Park, S.-Y, Kim, J.H, Hyun, Y.-L, Jeon, Y.H, Ro, S, Lee, T.G, Cho, J.M, Hwang, K.Y, Yang, C.-H. Deposit date: 2003-08-23 Release date: 2004-08-30 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125 Embo J., 23, 2004
5YTV	Crystal structure of YB1 cold-shock domain in complex with UCAUCU Descriptor: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*UP*CP*AP*UP*CP*U)-3') Authors: Yang, X, Huang, Y. Deposit date: 2017-11-20 Release date: 2018-12-05 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA. J.Biol.Chem., 294, 2019
5YTS	Crystal structure of YB1 cold-shock domain in complex with UCUUCU Descriptor: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*CP*UP*UP*C)-3'), SULFATE ION Authors: Yang, X, Huang, Y. Deposit date: 2017-11-20 Release date: 2018-12-05 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA. J.Biol.Chem., 294, 2019
5Z06	Crystal structure of beta-1,2-glucanase from Parabacteroides distasonis Descriptor: BDI_3064 protein, CALCIUM ION, GLYCEROL Authors: Shimizu, H, Nakajima, M, Miyanaga, A, Takahashi, Y, Tanaka, N, Kobayashi, K, Sugimoto, N, Nakai, H, Taguchi, H. Deposit date: 2017-12-18 Release date: 2018-05-30 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Characterization and Structural Analysis of a Novel exo-Type Enzyme Acting on beta-1,2-Glucooligosaccharides from Parabacteroides distasonis Biochemistry, 57, 2018
5ZCY	Crystal structure of archaeal translation initiation factor 1 at 1.5 Angstroms resolution Descriptor: NITRATE ION, NITRITE ION, Protein translation factor SUI1 homolog Authors: Gogoi, P, Kanaujia, S.P. Deposit date: 2018-02-22 Release date: 2018-05-02 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Archaeal and eukaryal translation initiation factor 1 differ in their RNA interacting loops. FEBS Lett., 592, 2018
4MZJ	Crystal Structure of MTIP from Plasmodium falciparum in complex with pGly[801,805], a stapled myoA tail peptide Descriptor: Myosin A tail domain interacting protein, Myosin-A Authors: Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. Deposit date: 2013-09-30 Release date: 2013-11-06 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (1.474 Å) Cite: Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction. Acs Chem.Biol., 8, 2014
1MY5	NF-kappaB p65 subunit dimerization domain homodimer Descriptor: NF-kappaB p65 (RelA) subunit Authors: Huxford, T, Mishler, D, Phelps, C.B, Huang, D.-B, Sengchanthalangsy, L.L, Reeves, R, Hughes, C.A, Komives, E.A, Ghosh, G. Deposit date: 2002-10-03 Release date: 2002-12-04 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Solvent exposed non-contacting amino acids play a critical role in NF-kappaB/I kappaB alpha complex formation J.Mol.Biol., 324, 2002
4MZK	Crystal Structure of MTIP from Plasmodium falciparum in complex with pGly[807,811], a stapled myoA tail peptide Descriptor: Myosin A tail domain interacting protein, pGly[807,811], a stapled myoA tail peptide Authors: Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. Deposit date: 2013-09-30 Release date: 2013-11-06 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction. Acs Chem.Biol., 8, 2014
1MY7	NF-kappaB p65 subunit dimerization domain homodimer N202R mutation Descriptor: NF-kappaB p65 (RelA) subunit Authors: Huxford, T, Mishler, D, Phelps, C.B, Huang, D.-B, Sengchanthalangsy, L.L, Reeves, R, Hughes, C.A, Komives, E.A, Ghosh, G. Deposit date: 2002-10-03 Release date: 2002-12-04 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.49 Å) Cite: Solvent exposed non-contacting amino acids play a critical role in NF-kappaB/IkappaB alpha complex formation J.Mol.Biol., 324, 2002
4MZL	Crystal Structure of MTIP from Plasmodium falciparum in complex with HBS myoA, a hydrogen bond surrogate myoA helix mimetic Descriptor: Myosin A tail domain interacting protein, hydrogen bond surrogate (HBS) myoA helix mimetic Authors: Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. Deposit date: 2013-09-30 Release date: 2013-11-06 Last modified: 2023-06-07 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction. Acs Chem.Biol., 8, 2014
1DWL	The Ferredoxin-Cytochrome complex using heteronuclear NMR and docking simulation Descriptor: CYTOCHROME C553, FERREDOXIN I, HEME C, ... Authors: Morelli, X, Guerlesquin, F, Czjzek, M, Palma, P.N. Deposit date: 1999-12-08 Release date: 1999-12-10 Last modified: 2011-07-13 Method: SOLUTION NMR, THEORETICAL MODEL Cite: Heteronuclear NMR and Soft Docking: An Experimental Approach for a Structural Model of the Cytochrome C553-Ferredoxin Complex Biochemistry, 39, 2000
4L0W	Plasmodium yoelii Prx1a modified at the N-terminus forms an artifactual octamer Descriptor: ACETATE ION, SULFATE ION, Thioredoxin peroxidase 1 Authors: Gretes, M.C, Karplus, P.A. Deposit date: 2013-06-01 Release date: 2016-11-09 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.29 Å) Cite: Observed octameric assembly of a Plasmodium yoelii peroxiredoxin can be explained by the replacement of native "ball-and-socket" interacting residues by an affinity tag. Protein Sci., 22, 2013

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