7UDJ
 
 | | Crystal structure of designed helical repeat protein RPB_PEW3_R4 bound to PAWx4 peptide | | Descriptor: | 4xPAW peptide, De novo designed helical repeat protein RPB_PEW3_R4 | | Authors: | Redler, R.L, Chang, Y, Bhabha, G, Ekiert, D. | | Deposit date: | 2022-03-20 | | Release date: | 2023-03-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | De novo design of modular peptide-binding proteins by superhelical matching.
Nature, 616, 2023
|
|
6MEA
 | | Crystal structure of a Tylonycteris bat coronavirus HKU4 macrodomain in complex with adenosine diphosphate ribose (ADP-ribose) | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Replicase polyprotein 1ab | | Authors: | Hammond, R.G, Schormann, N, McPherson, R.L, Leung, A.K.L, Deivanayagam, C.C.S, Johnson, M.A. | | Deposit date: | 2018-09-06 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | ADP-Ribose and Analogues bound to the DeMARylating Macrodomain from the Bat Coronavirus HKU4
Proc.Natl.Acad.Sci.USA, 2021
|
|
6MIE
 | | Solution NMR structure of the KCNQ1 voltage-sensing domain | | Descriptor: | Potassium voltage-gated channel subfamily KQT member 1 | | Authors: | Taylor, K.C, Kuenze, G, Smith, J.A, Meiler, J, McFeeters, R.L, Sanders, C.R. | | Deposit date: | 2018-09-19 | | Release date: | 2020-03-04 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure and physiological function of the human KCNQ1 channel voltage sensor intermediate state.
Elife, 9, 2020
|
|
6MOZ
 | | Structure of acid-beta-glucosidase in complex with an aromatic pyrrolidine iminosugar inhibitor | | Descriptor: | (2R,3S,4R)-2-{[4-(3,5-dichlorophenyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Patterson-Orazem, A.C, Lieberman, R.L. | | Deposit date: | 2018-10-05 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Exploring substituent diversity on pyrrolidine-aryltriazole iminosugars: Structural basis of beta-glucocerebrosidase inhibition.
Bioorg.Chem., 86, 2019
|
|
6MSY
 | | Anti-HIV-1 Fab Fab 2G12 + Man4 re-refinement | | Descriptor: | ACETATE ION, Fab 2G12, light chain, ... | | Authors: | Calarese, D.A, Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2018-10-18 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Dissection of the carbohydrate specificity of the broadly neutralizing anti-HIV-1 antibody 2G12.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
|
|
6M92
 | | Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2663 ternary complex | | Descriptor: | 3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ... | | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J, Lee, S.J. | | Deposit date: | 2018-08-22 | | Release date: | 2019-04-03 | | Last modified: | 2020-01-15 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
|
|
6MG5
 | | Structure of full-length human lambda-6A light chain JTO in complex with coumarin 1 | | Descriptor: | 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one, Light chain JTO, PHOSPHATE ION | | Authors: | Morgan, G.J, Yan, N.L, Mortenson, D.E, Stanfield, R.L, Wilson, I.A, Kelly, J.W. | | Deposit date: | 2018-09-12 | | Release date: | 2019-04-10 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Stabilization of amyloidogenic immunoglobulin light chains by small molecules.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
3DRU
 | | Crystal Structure of Gly117Phe Alpha1-Antitrypsin | | Descriptor: | Alpha-1-antitrypsin | | Authors: | Gooptu, B, Nobeli, I, Purkiss, A, Phillips, R.L, Mallya, M, Lomas, D.A, Barrett, T.E. | | Deposit date: | 2008-07-11 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystallographic and cellular characterisation of two mechanisms stabilising the native fold of alpha1-antitrypsin: implications for disease and drug design.
J.Mol.Biol., 387, 2009
|
|
3DTC
 | | Crystal structure of mixed-lineage kinase MLK1 complexed with compound 16 | | Descriptor: | 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one, Mitogen-activated protein kinase kinase kinase 9, SULFATE ION | | Authors: | Fedorov, A.A, Fedorov, E.V, Meyer, S.L, Hudkins, R.L, Almo, S.C. | | Deposit date: | 2008-07-14 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mixed-lineage kinase 1 and mixed-lineage kinase 3 subtype-selective dihydronaphthyl[3,4-a]pyrrolo[3,4-c]carbazole-5-ones: optimization, mixed-lineage kinase 1 crystallography, and oral in vivo activity in 1-methyl-4-phenyltetrahydropyridine models.
J.Med.Chem., 51, 2008
|
|
3DRM
 | | 2.2 Angstrom Crystal Structure of Thr114Phe Alpha1-Antitrypsin | | Descriptor: | Alpha-1-antitrypsin | | Authors: | Gooptu, B, Nobeli, I, Purkiss, A, Phillips, R.L, Mallya, M, Lomas, D.A, Barrett, T.E. | | Deposit date: | 2008-07-11 | | Release date: | 2009-03-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic and cellular characterisation of two mechanisms stabilising the native fold of alpha1-antitrypsin: implications for disease and drug design.
J.Mol.Biol., 387, 2009
|
|
6MUB
 | | Anti-HIV-1 Fab 2G12 + Man5 re-refinement | | Descriptor: | Fab 2G12, heavy chain, light chain, ... | | Authors: | Wilson, I.A, Calarese, D.A, Stanfield, R.L. | | Deposit date: | 2018-10-22 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.503 Å) | | Cite: | Dissection of the carbohydrate specificity of the broadly neutralizing anti-HIV-1 antibody 2G12.
Proc.Natl.Acad.Sci.USA, 102, 2005
|
|
6N2X
 | | Anti-HIV-1 Fab 2G12 + Man9 re-refinement | | Descriptor: | Fab 2G12 heavy chain, Fab 2G12 light chain, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Calarese, D.A, Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2018-11-14 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Antibody domain exchange is an immunological solution to carbohydrate cluster recognition.
Science, 300, 2003
|
|
6MNF
 | | Anti-HIV-1 Fab 2G12 + Man8 re-refinement | | Descriptor: | Fab 2G12, light chain, Fab 2g12, ... | | Authors: | Calarese, D.A, Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2018-10-01 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.758 Å) | | Cite: | Dissection of the carbohydrate specificity of the broadly neutralizing anti-HIV-1 antibody 2G12.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
|
|
6N35
 | | Anti-HIV-1 Fab 2G12 + Man1-2 re-refinement | | Descriptor: | BENZOIC ACID, Fab 2G12 heavy chain, Fab 2G12 light chain, ... | | Authors: | Calarese, D.A, Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2018-11-14 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.747 Å) | | Cite: | Antibody domain exchange is an immunological solution to carbohydrate cluster recognition.
Science, 300, 2003
|
|
3ELQ
 | | Crystal structure of a bacterial arylsulfate sulfotransferase | | Descriptor: | Arylsulfate sulfotransferase, CHLORIDE ION, SULFATE ION | | Authors: | Malojcic, G, Owen, R.L, Grimshaw, J.P, Glockshuber, R. | | Deposit date: | 2008-09-23 | | Release date: | 2008-11-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A structural and biochemical basis for PAPS-independent sulfuryl transfer by aryl sulfotransferase from uropathogenic Escherichia coli.
Proc.Natl.Acad.Sci.USA, 105, 2008
|
|
3EFR
 | | Biotin protein ligase R40G mutant from Aquifex aeolicus in complex with biotin | | Descriptor: | BIOTIN, Biotin [acetyl-CoA-carboxylase] ligase, SULFATE ION | | Authors: | Tron, C.M, McNae, I.W, Walkinshaw, M.D, Baxter, R.L, Campopiano, D.J. | | Deposit date: | 2008-09-10 | | Release date: | 2009-06-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural and functional studies of the biotin protein ligase from Aquifex aeolicus reveal a critical role for a conserved residue in target specificity.
J.Mol.Biol., 387, 2009
|
|
3E2D
 | | The 1.4 A crystal structure of the large and cold-active Vibrio sp. alkaline phosphatase | | Descriptor: | 1,2-ETHANEDIOL, Alkaline phosphatase, MAGNESIUM ION, ... | | Authors: | Helland, R, Larsen, R.L, Asgeirsson, B. | | Deposit date: | 2008-08-05 | | Release date: | 2009-06-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The 1.4 A crystal structure of the large and cold-active Vibrio sp. alkaline phosphatase.
Biochim.Biophys.Acta, 1794, 2009
|
|
3EMV
 | |
3EEI
 | | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from neisseria meningitidis in complex with methylthio-immucillin-A | | Descriptor: | (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL, 5-methylthioadenosine nucleosidase/S-adenosylhomocysteine nucleosidase | | Authors: | Ho, M, Rinaldo-matthis, A, Brown, R.L, Norris, G.E, Tyler, P.C, Furneaux, R.H, Almo, S.C, Schramm, V.L. | | Deposit date: | 2008-09-04 | | Release date: | 2009-09-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from neisseria meningitidis in complex with methylthio-immucillin-A
To be Published
|
|
3KBL
 | | Crystal structure of the GLD-1 homodimerization domain from Caenorhabditis elegans N169A mutant at 2.28 A resolution | | Descriptor: | Female germline-specific tumor suppressor gld-1 | | Authors: | Beuck, C, Szymczyna, B.R, Kerkow, D.E, Carmel, A.B, Columbus, L, Stanfield, R.L, Williamson, J.R. | | Deposit date: | 2009-10-20 | | Release date: | 2010-03-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structure of the GLD-1 homodimerization domain: insights into STAR protein-mediated translational regulation.
Structure, 18, 2010
|
|
1F1E
 | | CRYSTAL STRUCTURE OF THE HISTONE FROM METHANOPYRUS KANDLERI | | Descriptor: | CHLORIDE ION, HISTONE FOLD PROTEIN | | Authors: | Fahrner, R.L, Cascio, D, Lake, J.A, Slesarev, A. | | Deposit date: | 2000-05-18 | | Release date: | 2001-10-31 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | An ancestral nuclear protein assembly: crystal structure of the Methanopyrus kandleri histone.
Protein Sci., 10, 2001
|
|
3KBG
 | | Crystal structure of the 30S ribosomal protein S4e from Thermoplasma acidophilum. Northeast Structural Genomics Consortium Target TaR28. | | Descriptor: | 30S ribosomal protein S4e | | Authors: | Vorobiev, S.M, Su, M, Seetharaman, J, Belote, R.L, Ciccosanti, C, Patel, D, Liu, J, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-10-20 | | Release date: | 2009-10-27 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of the 30S ribosomal protein S4e from Thermoplasma acidophilum.
To be Published
|
|
1FQ4
 | | CRYSTAL STRUCTURE OF A COMPLEX BETWEEN HYDROXYETHYLENE INHIBITOR CP-108,420 AND YEAST ASPARTIC PROTEINASE A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(2R)-1-{[(2S,3R,5R)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfa nyl)-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide, SACCHAROPEPSIN, ... | | Authors: | Cronin, N.B, Badasso, M.O, Tickle, I.J, Dreyer, T, Hoover, D.J, Rosati, R.L, Humblet, C.C, Lunney, E.A, Cooper, J.B. | | Deposit date: | 2000-09-03 | | Release date: | 2000-09-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity.
J.Mol.Biol., 303, 2000
|
|
1GSM
 | | A reassessment of the MAdCAM-1 structure and its role in integrin recognition. | | Descriptor: | MUCOSAL ADDRESSIN CELL ADHESION MOLECULE-1 | | Authors: | Dando, J, Wilkinson, K.W, Ortlepp, S, King, D.J, Brady, R.L. | | Deposit date: | 2002-01-08 | | Release date: | 2002-01-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Reassessment of the Madcam-1 Structure and its Role in Integrin Recognition
Acta Crystallogr.,Sect.D, 58, 2002
|
|
3KSL
 | | Structure of FPT bound to DATFP-DH-GPP | | Descriptor: | (2S,6E)-8-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}-2,6-dimethyloct-6-en-1-yl (2S)-3,3,3-trifluoro-2-hydrazinopropanoate, Farnesyltransferase, CAAX box, ... | | Authors: | Hovlid, M.L, Edelstein, R.L, Henry, O, Ochocki, J, DeGraw, A, Lenevich, S, Talbot, T, Young, V, Hruza, A.W, Lopez-Gallego, F, Labello, N.P, Strickland, C.L, Schmidt-Dannert, C, Distefano, M.D. | | Deposit date: | 2009-11-23 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Synthesis, properties, and applications of diazotrifluropropanoyl-containing photoactive analogs of farnesyl diphosphate containing modified linkages for enhanced stability.
Chem.Biol.Drug Des., 75, 2010
|
|
