5T8O
 
 | | Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to Imidazobenzoxepin Compound 3 | | Descriptor: | 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | | Authors: | Smith, M.A, McEwan, P, Hymowitz, S.G. | | Deposit date: | 2016-09-08 | | Release date: | 2017-01-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
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5TJ3
 | | Crystal structure of wild type alkaline phosphatase PafA to 1.7A resolution | | Descriptor: | Alkaline phosphatase PafA, ZINC ION | | Authors: | Lyubimov, A.Y, Sunden, F, Ressl, S, Herschlag, D. | | Deposit date: | 2016-10-03 | | Release date: | 2016-11-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanistic and Evolutionary Insights from Comparative Enzymology of Phosphomonoesterases and Phosphodiesterases across the Alkaline Phosphatase Superfamily.
J.Am.Chem.Soc., 138, 2016
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5F7M
 | | Blood group antigen binding adhesin BabA of Helicobacter pylori strain 17875 in complex with blood group H Lewis b hexasaccharide | | Descriptor: | Adhesin binding fucosylated histo-blood group antigen, Nanobody Nb-ER19, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Moonens, K, Gideonsson, P, Subedi, S, Romao, E, Oscarson, S, Muyldermans, S, Boren, T, Remaut, H. | | Deposit date: | 2015-12-08 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori.
Cell Host Microbe, 19, 2016
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5F8Q
 | | Blood group antigen binding adhesin BabA of Helicobacter pylori strain S831 in complex with Nanobody Nb-ER19 | | Descriptor: | Adhesin binding fucosylated histo-blood group antigen,Adhesin,Adhesin binding fucosylated histo-blood group antigen, Nanobody Nb-ER19 | | Authors: | Moonens, K, Gideonsson, P, Subedi, S, Romao, E, Oscarson, S, Muyldermans, S, Boren, T, Remaut, H. | | Deposit date: | 2015-12-09 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori.
Cell Host Microbe, 19, 2016
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5F9D
 | | Blood group antigen binding adhesin BabA of Helicobacter pylori strain P436 in complex with Lewis b blood group B heptasaccharide | | Descriptor: | Adhesin binding fucosylated histo-blood group antigen,Adhesin,Adhesin binding fucosylated histo-blood group antigen, Nanobody Nb-ER19, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Moonens, K, Gideonsson, P, Subedi, S, Romao, E, Oscarson, S, Muyldermans, S, Boren, T, Remaut, H. | | Deposit date: | 2015-12-09 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori.
Cell Host Microbe, 19, 2016
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4N38
 | | Structure of langerin CRD I313 D288 complexed with GlcNAc-beta1-3Gal-beta1-4GlcNAc-beta-CH2CH2N3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, C-type lectin domain family 4 member K, CALCIUM ION, ... | | Authors: | Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E. | | Deposit date: | 2013-10-06 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Common polymorphisms in human langerin change specificity for glycan ligands.
J.Biol.Chem., 288, 2013
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4N35
 | | Structure of langerin CRD I313 complexed with GlcNAc-beta1-3Gal-beta1-4Glc-beta-CH2CH2N3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, C-type lectin domain family 4 member K, ... | | Authors: | Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E. | | Deposit date: | 2013-10-06 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Common polymorphisms in human langerin change specificity for glycan ligands.
J.Biol.Chem., 288, 2013
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4N36
 | | Structure of langerin CRD I313 D288 complexed with Me-GlcNAc | | Descriptor: | C-type lectin domain family 4 member K, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E. | | Deposit date: | 2013-10-06 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Common polymorphisms in human langerin change specificity for glycan ligands.
J.Biol.Chem., 288, 2013
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5HI2
 | | BRAF Kinase domain b3aC loop deletion mutant in complex with sorafenib | | Descriptor: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Serine/threonine-protein kinase B-raf | | Authors: | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | | Deposit date: | 2016-01-11 | | Release date: | 2016-04-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.512 Å) | | Cite: | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
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5HIE
 | | BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib | | Descriptor: | Dabrafenib, Serine/threonine-protein kinase B-raf | | Authors: | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | | Deposit date: | 2016-01-11 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
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3VN4
 | | Crystal structure of the exosite-containing fragment of human ADAMTS13 (P475S mutant) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, A disintegrin and metalloproteinase with thrombospondin motifs 13, ... | | Authors: | Nakayama, D, Akiyama, M, Takeda, S, Kokame, K, Takagi, J, Miyata, T. | | Deposit date: | 2011-12-21 | | Release date: | 2012-12-26 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure and enzymatic activity of an ADAMTS-13 mutant with the East Asian-specific P475S polymorphism.
J.Thromb.Haemost., 11, 2013
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1Z40
 | | AMA1 from Plasmodium falciparum | | Descriptor: | CHLORIDE ION, apical membrane antigen 1 precursor | | Authors: | Bai, T, Becker, M, Gupta, A, Strike, P, Murphy, V.J, Anders, R.F, Batchelor, A.H. | | Deposit date: | 2005-03-14 | | Release date: | 2005-08-16 | | Last modified: | 2018-02-14 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Structure of AMA1 from Plasmodium falciparum reveals a clustering of polymorphisms that surround a conserved hydrophobic pocket
Proc.Natl.Acad.Sci.Usa, 102, 2005
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8PIX
 | | Cryo EM structure of the type 3C polymorph of alpha-synuclein at low pH. | | Descriptor: | Alpha-synuclein | | Authors: | Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R. | | Deposit date: | 2023-06-22 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation
Elife, 2023
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1P3E
 | | Structure of Glu endopeptidase in complex with MPD | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, glutamyl-endopeptidase | | Authors: | Meijers, R, Blagova, E.V, Levdikov, V.M, Rudenskaya, G.N, Chestukhina, G.G, Akimkina, T.V, Kostrov, S.V, Lamzin, V.S, Kuranova, I.P. | | Deposit date: | 2003-04-17 | | Release date: | 2004-04-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | The crystal structure of glutamyl endopeptidase from Bacillus intermedius reveals a structural link between zymogen activation and charge compensation.
Biochemistry, 43, 2004
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1K86
 | | Crystal structure of caspase-7 | | Descriptor: | caspase-7 | | Authors: | Chai, J, Wu, Q, Shiozaki, E, Srinivasa, S.M, Alnemri, E.S, Shi, Y. | | Deposit date: | 2001-10-23 | | Release date: | 2001-11-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of a procaspase-7 zymogen: mechanisms of activation and substrate binding
Cell(Cambridge,Mass.), 107, 2001
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8PJO
 | | Cryo EM structure of the type 3D polymorph of alpha-synuclein E46K mutant at low pH. | | Descriptor: | Alpha-synuclein, CHLORIDE ION | | Authors: | Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R. | | Deposit date: | 2023-06-23 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.31 Å) | | Cite: | On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation
Elife, 2023
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7EQH
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1P3C
 | | Glutamyl endopeptidase from Bacillus intermedius | | Descriptor: | glutamyl-endopeptidase | | Authors: | Meijers, R, Blagova, E.V, Levdikov, V.M, Rudenskaya, G.N, Chestukhina, G.G, Akimkina, T.V, Kostrov, S.V, Lamzin, V.S, Kuranova, I.P. | | Deposit date: | 2003-04-17 | | Release date: | 2004-04-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The crystal structure of glutamyl endopeptidase from Bacillus intermedius reveals a structural link between zymogen activation and charge compensation.
Biochemistry, 43, 2004
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4G86
 | | Crystal structure of the redox-active cofactor DBMIB bound to the full length circadian clock protein KaiA from Synechococcus elongatus | | Descriptor: | 2,5-DIBROMO-3-ISOPROPYL-6-METHYLBENZO-1,4-QUINONE, Circadian clock protein kaiA, GLYCEROL, ... | | Authors: | Pattanayek, R, Egli, M. | | Deposit date: | 2012-07-21 | | Release date: | 2012-10-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.387 Å) | | Cite: | Crystal Structure of the Redox-Active Cofactor Dibromothymoquinone Bound to Circadian Clock Protein KaiA and Structural Basis for Dibromothymoquinone's Ability to Prevent Stimulation of KaiC Phosphorylation by KaiA.
Biochemistry, 51, 2012
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1LO3
 | | Retro-Diels-Alderase Catalytic Antibody: Product Analogue | | Descriptor: | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID, If kappa light chain, Ig gamma 2a heavy chain | | Authors: | Hugot, M, Reymond, J.L, Baumann, U. | | Deposit date: | 2002-05-06 | | Release date: | 2002-07-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A structural basis for the activity of retro-Diels-Alder catalytic antibodies: evidence for a catalytic aromatic residue.
Proc.Natl.Acad.Sci.USA, 99, 2002
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1LO4
 | | Retro-Diels-Alderase Catalytic antibody 9D9 | | Descriptor: | If kappa light chain, Ig gamma 2a heavy chain | | Authors: | Hugot, M, Reymond, J.L, Baumann, U. | | Deposit date: | 2002-05-06 | | Release date: | 2002-07-03 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A structural basis for the activity of retro-Diels-Alder catalytic antibodies: evidence for a catalytic aromatic residue.
Proc.Natl.Acad.Sci.USA, 99, 2002
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1LO2
 | | Retro-Diels-Alderase Catalytic Antibody | | Descriptor: | If kappa light chain, Ig gamma 2a heavy chain, [2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE | | Authors: | Hugot, M, Reymond, J.L, Baumann, U. | | Deposit date: | 2002-05-06 | | Release date: | 2002-06-26 | | Last modified: | 2021-07-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A structural basis for the activity of retro-Diels-Alder catalytic antibodies: evidence for a catalytic aromatic residue.
Proc.Natl.Acad.Sci.USA, 99, 2002
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1LO0
 | | Catalytic Retro-Diels-Alderase Transition State Analogue Complex | | Descriptor: | 3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID, If kappa light chain, Ig gamma 2a heavy chain | | Authors: | Hugot, M, Reymond, J.L, Baumann, U. | | Deposit date: | 2002-05-05 | | Release date: | 2002-06-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A structural basis for the activity of retro-Diels-Alder catalytic antibodies: evidence for a catalytic aromatic residue.
Proc.Natl.Acad.Sci.USA, 99, 2002
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5LQ7
 | | Salmonella effector SpvD - G161 variant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Przydacz, M, Grabe, G.J, Holden, D.W, Hare, S.A. | | Deposit date: | 2016-08-16 | | Release date: | 2016-11-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Salmonella Effector SpvD Is a Cysteine Hydrolase with a Serovar-specific Polymorphism Influencing Catalytic Activity, Suppression of Immune Responses, and Bacterial Virulence.
J. Biol. Chem., 291, 2016
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5IV1
 | | Solution Structure of DNA Dodecamer with 8-oxoguanine at 4th Position | | Descriptor: | DNA (5'-D(*CP*GP*CP*(8OG)P*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Miears, H.L, Gruber, D.R, Hoppins, J.J, Kiryutin, A.S, Kasymov, R.D, Yurkovskaya, A.V, Zharkov, D.O, Smirnov, S.L. | | Deposit date: | 2016-03-18 | | Release date: | 2016-07-27 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | 8-Oxoguanine Affects DNA Backbone Conformation in the EcoRI Recognition Site and Inhibits Its Cleavage by the Enzyme.
Plos One, 11, 2016
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