6FWG
 
 | | Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with tetramannoside yeast mannan fragment | | Descriptor: | ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside | | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2018-03-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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1JO6
 | | Solution structure of the cytoplasmic N-terminus of the BK beta-subunit KCNMB2 | | Descriptor: | potassium large conductance calcium-activated channel, subfamily M, beta member 2 | | Authors: | Bentrop, D, Beyermann, M, Wissmann, R, Fakler, B. | | Deposit date: | 2001-07-27 | | Release date: | 2001-11-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the "ball-and-chain" domain of KCNMB2, the beta 2-subunit of large conductance Ca2+- and voltage-activated potassium channels.
J.Biol.Chem., 276, 2001
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5CCC
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6H9G
 | | Influenza A nucleoprotein docked into 3D helical structure of the wild type ribonucleoprotein complex obtained using cryoEM. Conformation 1. | | Descriptor: | Nucleoprotein, Polypeptide loop | | Authors: | Coloma, R, Arranz, R, de la Rosa-Trevin, J.M, Sorzano, C.O.S, Munier, S, Carlero, D, Naffakh, N, Ortin, J, Martin-Benito, J. | | Deposit date: | 2018-08-03 | | Release date: | 2020-02-12 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (11 Å) | | Cite: | Structural insights into influenza A virus ribonucleoproteins reveal a processive helical track as transcription mechanism.
Nat Microbiol, 5, 2020
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5BWL
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6FWM
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-1,2-anhydro-mannose hydrolyzed by enzyme | | Descriptor: | (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Glycosyl hydrolase family 71, ... | | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2018-03-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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6HAL
 | | Human carbonmonoxy hemoglobin SFX dataset | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Doak, B, Gorel, A, Foucar, L, Barends, T.R.M, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C.M, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrell, D.A, Owen, R.L, Schlichting, I. | | Deposit date: | 2018-08-07 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallography on a chip - without the chip: sheet-on-sheet sandwich.
Acta Crystallogr D Struct Biol, 74, 2018
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6YV1
 | | Structure of human b(0,+)AT1 | | Descriptor: | b(0,+)-type amino acid transporter 1 | | Authors: | Wu, D, Safarian, S, Michel, H. | | Deposit date: | 2020-04-27 | | Release date: | 2021-01-20 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for amino acid exchange by a human heteromeric amino acid transporter.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6FWQ
 | | Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-1,3-mannobiose and alpha-1,2-mannobiose | | Descriptor: | Glycosyl hydrolase family 71, SODIUM ION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ... | | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2018-03-07 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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5BX6
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6Z3K
 | | Structure of protective antibody 38-1-10A Fab | | Descriptor: | 1,2-ETHANEDIOL, Heavy chain, Light Chain | | Authors: | Zhou, D, Fry, E.E, Ren, J, Stuart, D.I. | | Deposit date: | 2020-05-20 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and functional analysis of protective antibodies targeting the threefold plateau of enterovirus 71.
Nat Commun, 11, 2020
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5BZZ
 | | Crystal structure of human phosphatase PTEN in its reduced state | | Descriptor: | L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN | | Authors: | Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N. | | Deposit date: | 2015-06-11 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes.
Angew.Chem.Int.Ed.Engl., 54, 2015
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5CFT
 | | Crystal Structure of ANT(2")-Ia in complex with AMPCPP and gentamicin C1 | | Descriptor: | Aminoglycoside Nucleotidyltransferase (2")-Ia, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, HEXAETHYLENE GLYCOL, ... | | Authors: | Rodionov, D, Bassenden, A.V, Berghuis, A.M. | | Deposit date: | 2015-07-08 | | Release date: | 2016-03-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Analysis of the Tobramycin and Gentamicin Clinical Resistome Reveals Limitations for Next-generation Aminoglycoside Design.
Acs Chem.Biol., 11, 2016
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6ZIZ
 | | CRYSTAL STRUCTURE OF NRAS Q61R IN COMPLEX WITH GTP AND COMPOUND 18 | | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Kessler, D, Fischer, G, Boettcher, J. | | Deposit date: | 2020-06-26 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.785 Å) | | Cite: | Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
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1HL6
 | | A novel mode of RBD-protein recognition in the Y14-mago complex | | Descriptor: | CG8781 PROTEIN, MAGO NASHI PROTEIN | | Authors: | Fribourg, S, Gatfield, D, Yao, W, Izaurralde, E, Conti, E. | | Deposit date: | 2003-03-13 | | Release date: | 2003-05-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Novel Mode of Rbd-Protein Recognition in the Y14-Mago Complex
Nat.Struct.Biol., 10, 2003
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5C0L
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 2 | | Descriptor: | 4-(4-bromo-1H-pyrazol-1-yl)piperidinium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-12 | | Release date: | 2015-08-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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6ZKL
 | | Complex I inhibited by rotenone, open1 | | Descriptor: | (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ... | | Authors: | Kampjut, D, Sazanov, L.A. | | Deposit date: | 2020-06-30 | | Release date: | 2020-10-07 | | Last modified: | 2020-11-11 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
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6HI9
 | | PI3 Kinase Delta in complex with 3[6(oxan4yl)pyridin2yl]phenol | | Descriptor: | 3-[6-(oxan-4-yl)pyridin-2-yl]phenol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Convery, M.A, Summers, D, Peace, S. | | Deposit date: | 2018-08-29 | | Release date: | 2019-09-11 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | A theoretical and experimental investigation into the conformational bias of aryl cyclopropylpyrans, novel bioisosteres for N-aryl morpholines.
To be published
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5C3K
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 4 | | Descriptor: | (2S)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-17 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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5CLS
 | | Structure of human methionine aminopeptidase-2 complexed with spiroepoxytriazole inhibitor (+)-31a | | Descriptor: | (4R,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Janowski, R, Miller, A.K, Niessing, D. | | Deposit date: | 2015-07-16 | | Release date: | 2016-01-13 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Spiroepoxytriazoles Are Fumagillin-like Irreversible Inhibitors of MetAP2 with Potent Cellular Activity.
Acs Chem.Biol., 11, 2016
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5ADY
 | | Cryo-EM structures of the 50S ribosome subunit bound with HflX | | Descriptor: | 23S RRNA, 50S RIBOSOMAL PROTEIN L1, 50S RIBOSOMAL PROTEIN L10, ... | | Authors: | Zhang, Y, Mandava, C.S, Cao, W, Li, X, Zhang, D, Li, N, Zhang, Y, Zhang, X, Qin, Y, Mi, K, Lei, J, Sanyal, S, Gao, N. | | Deposit date: | 2015-08-25 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Hflx is a Ribosome Splitting Factor Rescuing Stalled Ribosomes Under Stress Conditions
Nat.Struct.Mol.Biol., 22, 2015
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1HQW
 | | CRYSTAL STRUCTURE OF THE COMPLEX OF CONCANAVALIN A WITH A TRIPEPTIDE YPY | | Descriptor: | CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION, ... | | Authors: | Zhang, Z, Qian, M, Huang, Q, Jia, Y, Tang, Y, Wang, K, Cui, D, Li, M. | | Deposit date: | 2000-12-20 | | Release date: | 2003-10-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the complex of concanavalin A and tripeptide
J.PROTEIN CHEM., 20, 2001
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4ZRT
 | | PTP1BC215S bound to Nephrin peptide substrate | | Descriptor: | CHLORIDE ION, GLY-PRO-LEU-PTR-ASP-GLU, GLYCEROL, ... | | Authors: | Selner, N.G, Bell, C.E, Pei, D. | | Deposit date: | 2015-05-12 | | Release date: | 2015-06-24 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Diverse levels of sequence selectivity and catalytic efficiency of protein-tyrosine phosphatases.
Biochemistry, 53, 2014
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6J7E
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6JQV
 | | Crystal structure of Arabidopsis thaliana NRP2 | | Descriptor: | NAP1-related protein 2 | | Authors: | Kumar, A, Vasudevan, D. | | Deposit date: | 2019-04-01 | | Release date: | 2019-07-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.42 Å) | | Cite: | Structural Characterization ofArabidopsis thalianaNAP1-Related Protein 2 (AtNRP2) and Comparison with its Homolog AtNRP1.
Molecules, 24, 2019
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