2MR9
 
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5V8D
 | | Structure of Bacillus cereus PatB1 with sulfonyl adduct | | Descriptor: | Bacillus cereus PatB1, SULFATE ION | | Authors: | Sychantha, D, Little, D.J, Chapman, R.N, Boons, G.J, Robinson, H, Howell, P.L, Clarke, A.J. | | Deposit date: | 2017-03-21 | | Release date: | 2017-10-18 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | PatB1 is an O-acetyltransferase that decorates secondary cell wall polysaccharides.
Nat. Chem. Biol., 14, 2018
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8SPM
 | | Crystal structure of NikA in complex Ni-AMA | | Descriptor: | Aspergillomarasmine A, NICKEL (II) ION, Nickel ABC transporter, ... | | Authors: | Sychantha, D, Prehna, G, Wright, G.D. | | Deposit date: | 2023-05-03 | | Release date: | 2024-04-10 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Targeting bacterial nickel transport with aspergillomarasmine A suppresses virulence-associated Ni-dependent enzymes.
Nat Commun, 15, 2024
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2JY5
 | | NMR structure of Ubiquilin 1 UBA domain | | Descriptor: | Ubiquilin-1 | | Authors: | Zhang, D, Raasi, S, Fushman, D. | | Deposit date: | 2007-12-06 | | Release date: | 2008-03-18 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Affinity makes the difference: nonselective interaction of the UBA domain of Ubiquilin-1 with monomeric ubiquitin and polyubiquitin chains
J.Mol.Biol., 377, 2008
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2JY6
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5V8E
 | | Structure of Bacillus cereus PatB1 | | Descriptor: | Bacillus cereus PatB1, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sychantha, D, Little, D.J, Chapman, R.N, Boons, G.J, Robinson, H, Howell, P.L, Clarke, A.J. | | Deposit date: | 2017-03-21 | | Release date: | 2017-10-18 | | Last modified: | 2017-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | PatB1 is an O-acetyltransferase that decorates secondary cell wall polysaccharides.
Nat. Chem. Biol., 14, 2018
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8UK6
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5KPM
 | | Glycogen Synthase Kinase 3 beta Complexed with BRD3731 | | Descriptor: | (4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | | Authors: | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | | Deposit date: | 2016-07-04 | | Release date: | 2018-03-14 | | Last modified: | 2018-03-21 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
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5KPL
 | | Glycogen Synthase Kinase 3 beta Complexed with BRD0705 | | Descriptor: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | | Authors: | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | | Deposit date: | 2016-07-04 | | Release date: | 2018-03-14 | | Last modified: | 2018-03-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
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5KPK
 | | Glycogen Synthase Kinase 3 beta Complexed with BRD0209 | | Descriptor: | (4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | | Authors: | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | | Deposit date: | 2016-07-04 | | Release date: | 2018-03-14 | | Last modified: | 2018-03-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
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1H6H
 | | Structure of the PX domain from p40phox bound to phosphatidylinositol 3-phosphate | | Descriptor: | 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE, GLYCEROL, NEUTROPHIL CYTOSOL FACTOR 4 | | Authors: | Karathanassis, D, Bravo, J, Pacold, M, Perisic, O, Williams, R.L. | | Deposit date: | 2001-06-15 | | Release date: | 2001-11-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of the Px Domain from P40Phox Bound to Phosphatidylinositol 3-Phosphate
Mol.Cell, 8, 2001
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6BT4
 | | Crystal structure of the SLH domain of Sap from Bacillus anthracis in complex with a pyruvylated SCWP unit | | Descriptor: | 2-(acetylamino)-4-O-{2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl}-2-deoxy-beta-D-glucopyranose, S-layer protein sap, SULFATE ION | | Authors: | Sychantha, D, Chapman, R.N, Bamford, N.C, Boons, G.J, Howell, P.L, Clarke, A.J. | | Deposit date: | 2017-12-05 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.306 Å) | | Cite: | Molecular Basis for the Attachment of S-Layer Proteins to the Cell Wall of Bacillus anthracis.
Biochemistry, 57, 2018
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1O7K
 | | human p47 PX domain complex with sulphates | | Descriptor: | NEUTROPHIL CYTOSOL FACTOR 1, SULFATE ION | | Authors: | Karathanassis, D, Bravo, J, Perisic, O, Pacold, C.M, Williams, R.L. | | Deposit date: | 2002-11-07 | | Release date: | 2002-11-20 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Binding of the Px Domain of P47Phox to Phosphatidylinositol 3.4-Bisphosphate and Phosphatidic Acid is Masked by an Intramolecular Interaction
Embo J., 21, 2002
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6CZV
 | | BRD4(BD1) complexed with 2759 | | Descriptor: | 1,2-ETHANEDIOL, 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1H)-one, Bromodomain-containing protein 4 | | Authors: | Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2018-04-09 | | Release date: | 2018-09-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Design and Characterization of Novel Covalent Bromodomain and Extra-Terminal Domain (BET) Inhibitors Targeting a Methionine.
J. Med. Chem., 61, 2018
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6CZU
 | | BRD4(BD1) complexed with 3219 | | Descriptor: | 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1R)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1H)-one, Bromodomain-containing protein 4, ... | | Authors: | Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2018-04-09 | | Release date: | 2018-09-26 | | Last modified: | 2018-10-10 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Design and Characterization of Novel Covalent Bromodomain and Extra-Terminal Domain (BET) Inhibitors Targeting a Methionine.
J. Med. Chem., 61, 2018
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2GZB
 | | Bauhinia bauhinioides cruzipain inhibitor (BbCI) | | Descriptor: | IODIDE ION, Kunitz-type proteinase inhibitor BbCI | | Authors: | Hansen, D, Macedo-Ribeiro, S, Navarro, M.V.A.S, Garratt, R.C, Oliva, M.L.V. | | Deposit date: | 2006-05-11 | | Release date: | 2007-07-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a novel cysteinless plant Kunitz-type protease inhibitor.
Biochem.Biophys.Res.Commun., 360, 2007
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2K57
 | | Solution NMR Structure of Putative Lipoprotein from Pseudomonas syringae Gene Locus PSPTO2350. Northeast Structural Genomics Target PsR76A. | | Descriptor: | Putative Lipoprotein | | Authors: | Hang, D, Aramini, J.A, Rossi, P, Wang, D, Jiang, M, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-06-25 | | Release date: | 2008-09-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of Putative Lipoprotein from
Pseudomonas syringae Gene Locus PSPTO2350. Northeast Structural Genomics Target PsR76A.
To be Published
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2IWL
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6OPC
 | | Cdc48 Hexamer in a complex with substrate and Shp1(Ubx Domain) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division control protein 48, ... | | Authors: | Cooney, I, Han, H, Stewart, M, Carson, R.H, Hansen, D, Price, J.C, Hill, C.P, Shen, P.S. | | Deposit date: | 2019-04-24 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structure of the Cdc48 segregase in the act of unfolding an authentic substrate.
Science, 365, 2019
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1U6D
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6M24
 | | Uncommon structural features of rabbit MHC class I (RLA-A1) complexed with rabbit haemorrhagic disease virus (RHDV) derived peptide, VP60-2 | | Descriptor: | Beta-2-microglobulin, RLA class I histocompatibility antigen, alpha chain 19-1, ... | | Authors: | Zhang, Q.X, Liu, K.F, Yue, C, Zhang, D, Lu, D, Xiao, W.L, Liu, P.P, Zhao, Y.Z, Gao, G.L, Ding, C.M, Lyu, J.X, Liu, W.J. | | Deposit date: | 2020-02-26 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Strict Assembly Restriction of Peptides from Rabbit Hemorrhagic Disease Virus Presented by Rabbit Major Histocompatibility Complex Class I Molecule RLA-A1.
J.Virol., 94, 2020
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6M2J
 | | Uncommon structural features of rabbit MHC class I (RLA-A1) complexed with rabbit haemorrhagic disease virus (RHDV) derived peptide, VP60-1 | | Descriptor: | Beta-2-microglobulin, RLA class I histocompatibility antigen, alpha chain 19-1, ... | | Authors: | Zhang, Q.X, Liu, K.F, Yue, C, Zhang, D, Lu, D, Xiao, W.L, Liu, P.P, Zhao, Y.Z, Gao, G.L, Ding, C.M, Lyu, J.X, Liu, W.J. | | Deposit date: | 2020-02-27 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Strict Assembly Restriction of Peptides from Rabbit Hemorrhagic Disease Virus Presented by Rabbit Major Histocompatibility Complex Class I Molecule RLA-A1.
J.Virol., 94, 2020
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6M2K
 | | Uncommon structural features of rabbit MHC class I (RLA-A1) complexed with rabbit haemorrhagic disease virus (RHDV) derived peptide, VP60-10 | | Descriptor: | Beta-2-microglobulin, RLA class I histocompatibility antigen, alpha chain 19-1, ... | | Authors: | Zhang, Q.X, Liu, K.F, Yue, C, Zhang, D, Lu, D, Xiao, W.L, Liu, P.P, Zhao, Y.Z, Gao, G.L, Ding, C.M, Lyu, J.X, Liu, W.J. | | Deposit date: | 2020-02-27 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Strict Assembly Restriction of Peptides from Rabbit Hemorrhagic Disease Virus Presented by Rabbit Major Histocompatibility Complex Class I Molecule RLA-A1.
J.Virol., 94, 2020
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1KS5
 | | Structure of Aspergillus niger endoglucanase | | Descriptor: | Endoglucanase A | | Authors: | Khademi, S, Zhang, D, Swanson, S.M, Wartenberg, A, Witte, C, Meyer, E.F. | | Deposit date: | 2002-01-10 | | Release date: | 2003-01-21 | | Last modified: | 2017-02-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Determination of the structure of an endoglucanase from Aspergillus niger and its mode of inhibition by palladium chloride.
Acta Crystallogr.,Sect.D, 58, 2002
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1KS4
 | | The structure of Aspergillus niger endoglucanase-palladium complex | | Descriptor: | Endoglucanase A, PALLADIUM ION | | Authors: | Khademi, S, Zhang, D, Swanson, S.M, Wartenberg, A, Witte, C, Meyer, E.F. | | Deposit date: | 2002-01-10 | | Release date: | 2003-01-21 | | Last modified: | 2017-02-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Determination of the structure of an endoglucanase from Aspergillus niger and its mode of inhibition by palladium chloride.
Acta Crystallogr.,Sect.D, 58, 2002
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