2AWY
 
 | | met-DcrH-Hr | | Descriptor: | CALCIUM ION, CHLORIDE ION, MU-OXO-DIIRON, ... | | Authors: | Isaza, C.E, Silaghi-Dumitrescu, R, Iyer, R.B, Kurtz, D.M, Chan, M.K. | | Deposit date: | 2005-09-02 | | Release date: | 2006-08-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for O(2) Sensing by the Hemerythrin-like Domain of a Bacterial Chemotaxis Protein: Substrate Tunnel and Fluxional N Terminus
Biochemistry, 45, 2006
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2Z2G
 | | NMR Structure of the IQ-modified Dodecamer CTC[IQ]GGCGCCATC | | Descriptor: | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE, DNA (5'-D(*DCP*DTP*DCP*DGP*DGP*DCP*DGP*DCP*DCP*DAP*DTP*DC)-3'), DNA (5'-D(*DGP*DAP*DTP*DGP*DGP*DCP*DGP*DCP*DCP*DGP*DAP*DG)-3') | | Authors: | Wang, F, Elmquist, C.E, Stover, J.S, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2007-05-22 | | Release date: | 2007-10-02 | | Last modified: | 2023-11-29 | | Method: | SOLUTION NMR | | Cite: | DNA sequence modulates the conformation of the food mutagen 2-amino-3-methylimidazo[4,5-f]quinoline in the recognition sequence of the NarI restriction enzyme
Biochemistry, 46, 2007
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2Z2H
 | | NMR Structure of the IQ-modified Dodecamer CTCG[IQ]GCGCCATC | | Descriptor: | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE, DNA (5'-D(*DCP*DTP*DCP*DGP*DGP*DCP*DGP*DCP*DCP*DAP*DTP*DC)-3'), DNA (5'-D(*DGP*DAP*DTP*DGP*DGP*DCP*DGP*DCP*DCP*DGP*DAP*DG)-3') | | Authors: | Wang, F, Elmquist, C.E, Stover, J.S, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2007-05-22 | | Release date: | 2007-10-02 | | Last modified: | 2023-11-29 | | Method: | SOLUTION NMR | | Cite: | DNA sequence modulates the conformation of the food mutagen 2-amino-3-methylimidazo[4,5-f]quinoline in the recognition sequence of the NarI restriction enzyme
Biochemistry, 46, 2007
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2EEU
 | | Guanine riboswitch U22A, A52U mutant bound to hypoxanthine | | Descriptor: | ACETATE ION, COBALT HEXAMMINE(III), Guanine riboswitch, ... | | Authors: | Gilbert, S.D, Love, C.E, Batey, R.T. | | Deposit date: | 2007-02-19 | | Release date: | 2007-11-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Mutational analysis of the purine riboswitch aptamer domain
Biochemistry, 46, 2007
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3BEO
 | | A Structural Basis for the allosteric regulation of non-hydrolyzing UDP-GlcNAc 2-epimerases | | Descriptor: | UDP-N-acetylglucosamine 2-epimerase, URIDINE-5'-DIPHOSPHATE, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | | Authors: | Velloso, L.M, Bhaskaran, S.S, Schuch, R, Fischetti, V.A, Stebbins, C.E. | | Deposit date: | 2007-11-19 | | Release date: | 2008-02-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A structural basis for the allosteric regulation of non-hydrolysing UDP-GlcNAc 2-epimerases.
Embo Rep., 9, 2008
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3B9J
 | | Structure of Xanthine Oxidase with 2-hydroxy-6-methylpurine | | Descriptor: | 6-methyl-3,9-dihydro-2H-purin-2-one, CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, ... | | Authors: | Pauff, J.M, Zhang, J, Bell, C.E, Hille, R. | | Deposit date: | 2007-11-05 | | Release date: | 2007-12-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Substrate orientation in xanthine oxidase: crystal structure of enzyme in reaction with 2-hydroxy-6-methylpurine.
J.Biol.Chem., 283, 2008
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2ENX
 | | Structure of the family II inorganic pyrophosphatase from Streptococcus agalactiae at 2.8 resolution | | Descriptor: | IMIDODIPHOSPHORIC ACID, MAGNESIUM ION, MANGANESE (II) ION, ... | | Authors: | Rantanen, M.K, Lehtio, L, Rajagopal, L, Rubens, C.E, Goldman, A. | | Deposit date: | 2007-03-28 | | Release date: | 2007-05-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the Streptococcus agalactiae family II inorganic pyrophosphatase at 2.80 A resolution
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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2AVK
 | | met-azido-DcrH-Hr | | Descriptor: | MONOAZIDO-MU-OXO-DIIRON, SULFATE ION, hemerythrin-like domain protein DcrH | | Authors: | Isaza, C.E, Silaghi-Dumitrescu, R, Iyer, R.B, Kurtz, D.M, Chan, M.K. | | Deposit date: | 2005-08-30 | | Release date: | 2006-08-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Structural Basis for O(2) Sensing by the Hemerythrin-like Domain of a Bacterial Chemotaxis Protein: Substrate Tunnel and Fluxional N Terminus.
Biochemistry, 45, 2006
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2AV5
 | | Crystal structure of Pyrococcus furiosus Pop5, an archaeal Ribonuclease P protein | | Descriptor: | Ribonuclease P protein component 2 | | Authors: | Wilson, R.C, Bohlen, C.J, Foster, M.P, Bell, C.E. | | Deposit date: | 2005-08-29 | | Release date: | 2006-01-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structure of Pfu Pop5, an archaeal RNase P protein.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2EEV
 | | Guanine riboswitch U22C, A52G mutant bound to hypoxanthine | | Descriptor: | ACETATE ION, COBALT HEXAMMINE(III), HYPOXANTHINE, ... | | Authors: | Gilbert, S.D, Love, C.E, Batey, R.T. | | Deposit date: | 2007-02-19 | | Release date: | 2007-11-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Mutational analysis of the purine riboswitch aptamer domain
Biochemistry, 46, 2007
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3ZEU
 | | Structure of a Salmonella typhimurium YgjD-YeaZ heterodimer bound to ATPgammaS | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Nichols, C.E, Lamb, H.K, Thompson, P, El Omari, K, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-20 | | Last modified: | 2017-03-29 | | Method: | X-RAY DIFFRACTION (1.653 Å) | | Cite: | Crystal Structure of the Dimer of Two Essential Salmonella Typhimurium Proteins, Ygjd & Yeaz and Calorimetric Evidence for the Formation of a Ternary Ygjd-Yeaz-Yjee Complex.
Protein Sci., 22, 2013
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3ZJX
 | | Clostridium perfringens epsilon toxin mutant H149A bound to octyl glucoside | | Descriptor: | EPSILON-TOXIN, PHOSPHATE ION, octyl beta-D-glucopyranoside | | Authors: | Bokori-Brown, M, Kokkinidou, M.C, Savva, C.G, Fernandes da Costa, S.P, Naylor, C.E, Cole, A.R, Basak, A.K, Titball, R.W. | | Deposit date: | 2013-01-20 | | Release date: | 2013-03-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Clostridium Perfringens Epsilon Toxin H149A Mutant as a Platform for Receptor Binding Studies.
Protein Sci., 22, 2013
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3ZET
 | | Structure of a Salmonella typhimurium YgjD-YeaZ heterodimer. | | Descriptor: | ADENOSINE MONOPHOSPHATE, CADMIUM ION, PROBABLE TRNA THREONYLCARBAMOYLADENOSINE BIOSYNTHESIS PROTEIN GCP, ... | | Authors: | Nichols, C.E, Lamb, H.K, Thompson, P, El Omari, K, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-20 | | Last modified: | 2013-05-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Crystal Structure of the Dimer of Two Essential Salmonella Typhimurium Proteins, Ygjd & Yeaz and Calorimetric Evidence for the Formation of a Ternary Ygjd-Yeaz-Yjee Complex.
Protein Sci., 22, 2013
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3ZPK
 | | Atomic-resolution structure of a quadruplet cross-beta amyloid fibril. | | Descriptor: | TRANSTHYRETIN | | Authors: | Fitzpatrick, A.W.P, Debelouchina, G.T, Bayro, M.J, Clare, D.K, Caporini, M.A, Bajaj, V.S, Jaroniec, C.P, Wang, L, Ladizhansky, V, Muller, S.A, MacPhee, C.E, Waudby, C.A, Mott, H.R, de Simone, A, Knowles, T.P.J, Saibil, H.R, Vendruscolo, M, Orlova, E.V, Griffin, R.G, Dobson, C.M. | | Deposit date: | 2013-02-28 | | Release date: | 2013-12-04 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY, SOLID-STATE NMR | | Cite: | Atomic Structure and Hierarchical Assembly of a Cross-Beta Amyloid Fibril.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3ZO1
 | | The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors | | Descriptor: | 6-(1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ... | | Authors: | Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. | | Deposit date: | 2013-02-20 | | Release date: | 2013-03-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013
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3C9D
 | | Crystal structure of Vps75 | | Descriptor: | Vacuolar protein sorting-associated protein 75 | | Authors: | Berndsen, C.E, Tsubota, T, Lindner, S.E, Lee, S, Holton, J.M, Kaufman, P.D, Keck, J.L, Denu, J.M. | | Deposit date: | 2008-02-15 | | Release date: | 2008-08-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular functions of the histone acetyltransferase chaperone complex Rtt109-Vps75
Nat.Struct.Mol.Biol., 15, 2008
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2EEW
 | | Guanine Riboswitch U47C mutant bound to hypoxanthine | | Descriptor: | ACETATE ION, COBALT HEXAMMINE(III), Guanine riboswitch, ... | | Authors: | Gilbert, S.D, Love, C.E, Batey, R.T. | | Deposit date: | 2007-02-19 | | Release date: | 2007-11-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Mutational analysis of the purine riboswitch aptamer domain
Biochemistry, 46, 2007
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2FM8
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6XJ1
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7RPS
 | | B. miyamotoi FbpB complement inhibitory domain | | Descriptor: | Fibronectin-binding lipoprotein FbpB | | Authors: | Booth, C.E, Garcia, B.L. | | Deposit date: | 2021-08-04 | | Release date: | 2022-04-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Borrelia miyamotoi FbpA and FbpB Are Immunomodulatory Outer Surface Lipoproteins With Distinct Structures and Functions.
Front Immunol, 13, 2022
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7Y8F
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30o and GRIP Peptide | | Descriptor: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | | Authors: | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-06-23 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer.
Eur.J.Med.Chem., 253, 2023
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7Y8G
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30a and GRIP Peptide | | Descriptor: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | | Authors: | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-06-23 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer.
Eur.J.Med.Chem., 253, 2023
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6Y85
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6Y7Z
 | | Fragment KCL_914 in complex with MAP kinase p38-alpha | | Descriptor: | 1-(1-adamantyl)-3-ethyl-guanidine, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... | | Authors: | De Nicola, G.F, Nichols, C.E. | | Deposit date: | 2020-03-02 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Fragment KCL_914 in complex with MAP kinase p38-alpha
To Be Published
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6YAA
 | | Structure of the (SR) Ca2+-ATPase bound to the inhibitor compound CAD204520 and TNP-ATP | | Descriptor: | 4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine, POTASSIUM ION, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE, ... | | Authors: | Heit, S, Marchesini, M, Gherli, A, Montanaro, A, Patrizi, L, Sorrentino, C, Pagliaro, L, Rompietti, C, Kitara, S, Olesen, C.E, Moller, J.V, Savi, M, Bocchi, L, Vilella, R, Rizzi, F, Baglione, M, Rastelli, G, Loiacona, C, La Starza, R, Mecucci, C, Stegmair, K, Aversa, F, Stilli, D, Lund Winther, A.M, Sportoletti, P, Dalby-Brown, W, Roti, G, Bublitz, M. | | Deposit date: | 2020-03-11 | | Release date: | 2020-05-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Blockade of Oncogenic NOTCH1 with the SERCA Inhibitor CAD204520 in T Cell Acute Lymphoblastic Leukemia.
Cell Chem Biol, 27, 2020
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