8R3B
| |
1NNF
| Crystal Structure Analysis of Haemophlius Influenzae Ferric-ion Binding Protein H9Q Mutant Form | Descriptor: | FE (III) ION, Iron-utilization periplasmic protein, {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID | Authors: | Shouldice, S.R, Dougan, D.R, Skene, R.J, Tari, L.W, McRee, D.E, Yu, R.-H, Schryvers, A.B. | Deposit date: | 2003-01-13 | Release date: | 2003-04-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | High Resolution Structure of an Alternate Form of the Ferric ion Binding Protein from Haemophilus influenzae J.Biol.Chem., 278, 2003
|
|
8Q6C
| The RSL-D32N - sulfonato-calix[8]arene complex, P63 form, acetate pH 4.0 | Descriptor: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | Authors: | Flood, R.J, Crowley, P.B. | Deposit date: | 2023-08-11 | Release date: | 2024-03-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Supramolecular Synthons in Protein-Ligand Frameworks. Cryst.Growth Des., 24, 2024
|
|
7T2Q
| PEGylated Calmodulin-1 (K148U) | Descriptor: | CALCIUM ION, Calmodulin-1, MAGNESIUM ION, ... | Authors: | Mackay, J.P, Payne, R.J, Patel, K, Dowman, L.J. | Deposit date: | 2021-12-06 | Release date: | 2022-10-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Site-selective photocatalytic functionalization of peptides and proteins at selenocysteine. Nat Commun, 13, 2022
|
|
2I5C
| Crystal structure of the C-terminal PH domain of pleckstrin in complex with D-myo-Ins(1,2,3,4,5)P5 | Descriptor: | (1R,2S,3R,4S,5S,6R)-6-HYDROXYCYCLOHEXANE-1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)], Pleckstrin | Authors: | Jackson, S.G, Haslam, R.J, Junop, M.S. | Deposit date: | 2006-08-24 | Release date: | 2007-08-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural analysis of the carboxy terminal PH domain of pleckstrin bound to D-myo-inositol 1,2,3,5,6-pentakisphosphate. Bmc Struct.Biol., 7, 2007
|
|
4E41
| Structural basis for the recognition of mutant self by a tumor-specific, MHC class II-restricted T cell receptor G4 | Descriptor: | HLA class II histocompatibility antigen, DR alpha chain, DRB1-1 beta chain, ... | Authors: | Deng, L, Langley, R.J, Wang, Q, Topalian, S.L, Mariuzza, R.A. | Deposit date: | 2012-03-11 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for the recognition of mutant self by a tumor-specific, MHC class II-restricted T cell receptor G4 Proc.Natl.Acad.Sci.USA, 2012
|
|
4EBW
| Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor | Descriptor: | 1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide, Focal adhesion kinase 1 | Authors: | Iwatani, M, Iwata, H, Okabe, A, Skene, R.J, Tomita, N, Hayashi, Y, Aramaki, Y, Hosfield, D.J, Hori, A, Baba, A, Miki, H. | Deposit date: | 2012-03-25 | Release date: | 2012-07-25 | Last modified: | 2013-03-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery and characterization of novel allosteric FAK inhibitors. Eur.J.Med.Chem., 61, 2013
|
|
2HZ6
| The crystal structure of human IRE1-alpha luminal domain | Descriptor: | Endoplasmic reticulum to nucleus signalling 1 isoform 1 variant | Authors: | Kaufman, R.J, Xu, Z, Zhou, J. | Deposit date: | 2006-08-08 | Release date: | 2006-08-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The crystal structure of human IRE1 luminal domain reveals a conserved dimerization interface required for activation of the unfolded protein response. Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
8SGO
| Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus pregnenolone sulfate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Legesse, D.H, Fan, C, Teng, J, Zhuang, Y, Howard, R.J, Noviello, C.M, Lindahl, E, Hibbs, R.E. | Deposit date: | 2023-04-12 | Release date: | 2023-08-30 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | Structural insights into opposing actions of neurosteroids on GABA A receptors. Nat Commun, 14, 2023
|
|
5O2I
| An efficient setup for fixed-target, time-resolved serial crystallography with optical excitation | Descriptor: | Fluoroacetate dehalogenase | Authors: | Schulz, E.C, Mueller-Werkmeister, H, Mehrabi, P, Pai, E.F, Miller, R.J.D. | Deposit date: | 2017-05-20 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An efficient setup for fixed-target, time-resolved serial crystallography with optical excitation To Be Published
|
|
5OAF
| Human Rvb1/Rvb2 heterohexamer in INO80 complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, RuvB-like 1, RuvB-like 2 | Authors: | Aramayo, R.J, Bythell-Douglas, R, Ayala, R, Willhoft, O, Wigley, D, Zhang, X. | Deposit date: | 2017-06-21 | Release date: | 2017-12-13 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.06 Å) | Cite: | Cryo-EM structures of the human INO80 chromatin-remodeling complex. Nat. Struct. Mol. Biol., 25, 2018
|
|
6NFT
| Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with (4-oxoquinazolin-3(4H)-yl)acetic acid | Descriptor: | (4-oxoquinazolin-3(4H)-yl)acetic acid, 1,2-ETHANEDIOL, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Mann, M.K, Tempel, W, Bountra, C, Arrowmsmith, C.M, Edwards, A.M, Schapira, M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-20 | Release date: | 2019-01-02 | Last modified: | 2021-06-09 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain. J.Med.Chem., 62, 2019
|
|
1OEG
| PEPTIDE OF HUMAN APOE RESIDUES 267-289, NMR, 5 STRUCTURES AT PH 6.0, 37 DEGREES CELSIUS AND PEPTIDE:SDS MOLE RATIO OF 1:90 | Descriptor: | APOLIPOPROTEIN E | Authors: | Wang, G, Pierens, G.K, Treleaven, W.D, Sparrow, J.T, Cushley, R.J. | Deposit date: | 1996-03-16 | Release date: | 1996-12-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Conformations of human apolipoprotein E(263-286) and E(267-289) in aqueous solutions of sodium dodecyl sulfate by CD and 1H NMR. Biochemistry, 35, 1996
|
|
1NZ1
| Solution structure of the S. cerevisiae U6 Intramolecular stem-loop containing an SP phosphorothioate at nucleotide U80 | Descriptor: | SP U6 Intramolecular Stem-Loop RNA | Authors: | Reiter, N.J, Nikstad, L.J, Allman, A.M, Johnson, R.J, Butcher, S.E. | Deposit date: | 2003-02-14 | Release date: | 2003-05-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the U6 RNA intramolecular stem-loop harboring an
S(P)-phosphorothioate modification. RNA, 9, 2003
|
|
2KRF
| NMR solution structure of the DNA binding domain of Competence protein A | Descriptor: | Transcriptional regulatory protein comA | Authors: | Hobbs, C.A, Bobay, B.G, Thompson, R.J, Perego, M, Cavanagh, J. | Deposit date: | 2009-12-16 | Release date: | 2010-04-07 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | NMR solution structure and DNA-binding model of the DNA-binding domain of competence protein A. J.Mol.Biol., 398, 2010
|
|
1PRT
| THE CRYSTAL STRUCTURE OF PERTUSSIS TOXIN | Descriptor: | PERTUSSIS TOXIN (SUBUNIT S1), PERTUSSIS TOXIN (SUBUNIT S2), PERTUSSIS TOXIN (SUBUNIT S3), ... | Authors: | Stein, P.E, Read, R.J. | Deposit date: | 1993-11-22 | Release date: | 1995-01-26 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The crystal structure of pertussis toxin. Structure, 2, 1994
|
|
7U9S
| Crystal structure of human D-amino acid oxidase in complex with inhibitor | Descriptor: | 5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Skene, R.J, Bell, J.A. | Deposit date: | 2022-03-11 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform. J.Med.Chem., 65, 2022
|
|
7U9U
| Crystal structure of human D-amino acid oxidase in complex with inhibitor | Descriptor: | (3R)-3-(5,6-dioxo-1,4,5,6-tetrahydropyrazin-2-yl)-2,3-dihydro-1,4-benzoxathiine-7-carbonitrile, BENZOIC ACID, D-amino-acid oxidase, ... | Authors: | Skene, R.J, Bell, J.A. | Deposit date: | 2022-03-11 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform. J.Med.Chem., 65, 2022
|
|
4CCC
| STRUCTURE OF MOUSE GALACTOCEREBROSIDASE WITH 4NBDG: ENZYME-SUBSTRATE COMPLEX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-nitrophenyl beta-D-galactopyranoside, ... | Authors: | Hill, C.H, Graham, S.C, Read, R.J, Deane, J.E. | Deposit date: | 2013-10-21 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural Snapshots Illustrate the Catalytic Cycle of Beta-Galactocerebrosidase, the Defective Enzyme in Krabbe Disease Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4CD8
| The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManMIm | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ENDO-BETA-1,4-MANNANASE, beta-D-mannopyranose | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | Deposit date: | 2013-10-30 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate. Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4CD5
| The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManMIm | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ENDO-1,4-BETA MANNANASE, PUTATIVE, ... | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | Deposit date: | 2013-10-30 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate. Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4C34
| PKA-S6K1 Chimera with Staurosporine bound | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, GLYCEROL, ... | Authors: | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | Deposit date: | 2013-08-21 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
|
|
4CD7
| The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManIFG and beta-1,4-mannobiose | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-BETA-1,4-MANNANASE, beta-D-mannopyranose, ... | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | Deposit date: | 2013-10-30 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate. Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4CCE
| STRUCTURE OF MOUSE GALACTOCEREBROSIDASE WITH GALACTOSE: ENZYME- PRODUCT COMPLEX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Hill, C.H, Graham, S.C, Read, R.J, Deane, J.E. | Deposit date: | 2013-10-21 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural Snapshots Illustrate the Catalytic Cycle of Beta-Galactocerebrosidase, the Defective Enzyme in Krabbe Disease Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
6NP7
| Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20) | Descriptor: | Bromodomain factor 2 protein | Authors: | Lin, Y.H, Dong, A, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Hui, R, Harding, R.J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-01-17 | Release date: | 2019-02-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20) to be published
|
|