5TJK
| Crystal structure of GTA + A trisaccharide (native) | Descriptor: | GLYCEROL, Histo-blood group ABO system transferase, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside | Authors: | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | Deposit date: | 2016-10-04 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release. Glycobiology, 27, 2017
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1O6D
| Crystal structure of a hypothetical protein | Descriptor: | Hypothetical UPF0247 protein TM0844 | Authors: | Structural GenomiX | Deposit date: | 2003-11-03 | Release date: | 2003-11-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
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7MMO
| LY-CoV1404 neutralizing antibody against SARS-CoV-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LY-CoV1404 Fab heavy chain, LY-CoV1404 Fab light chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D. | Deposit date: | 2021-04-30 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.427 Å) | Cite: | LY-CoV1404 (bebtelovimab) potently neutralizes SARS-CoV-2 variants. Biorxiv, 2022
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1O69
| Crystal structure of a PLP-dependent enzyme | Descriptor: | (2-AMINO-4-FORMYL-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, BETA-MERCAPTOETHANOL, aminotransferase | Authors: | Structural GenomiX | Deposit date: | 2003-10-23 | Release date: | 2003-11-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
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5SW5
| Crystal structure of native catalase-peroxidase KatG at pH7.5 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ... | Authors: | Loewen, P.C. | Deposit date: | 2016-08-08 | Release date: | 2016-08-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A molecular switch and electronic circuit modulate catalase activity in catalase-peroxidases. EMBO Rep., 6, 2005
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5SX1
| Crystal structure of D141E variant of B. pseudomallei KatG | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Catalase-peroxidase, OXYGEN MOLECULE, ... | Authors: | Loewen, P.C. | Deposit date: | 2016-08-09 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Two alternative substrate paths for compound I formation and reduction in catalase-peroxidase KatG from Burkholderia pseudomallei. Proteins, 66, 2007
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5SX3
| Crystal structure of the catalase-peroxidase KatG of B. pseudomaallei at pH 4.5 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ... | Authors: | Loewen, P.C. | Deposit date: | 2016-08-09 | Release date: | 2016-08-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Roles for Arg426 and Trp111 in the modulation of NADH oxidase activity of the catalase-peroxidase KatG from Burkholderia pseudomallei inferred from pH-induced structural changes. Biochemistry, 45, 2006
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5TKT
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE | Descriptor: | 1,2-ETHANEDIOL, Factor XIa (Light Chain), METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2, ... | Authors: | Sheriff, S. | Deposit date: | 2016-10-07 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker. J. Med. Chem., 60, 2017
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5VSI
| CH1/Ckappa Fab mutant 15.1 | Descriptor: | 1,2-ETHANEDIOL, CH1/Ckappa Fab heavy chain, CH1/Ckappa Fab light chain, ... | Authors: | Hendle, J. | Deposit date: | 2017-05-11 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Computational design of a specific heavy chain/ kappa light chain interface for expressing fully IgG bispecific antibodies. Protein Sci., 26, 2017
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5W5I
| Human IFIT1 dimer with PPP-AAAA | Descriptor: | Interferon-induced protein with tetratricopeptide repeats 1, RNA (5'-D(*(ATP))-R(P*AP*AP*A)-3') | Authors: | Abbas, Y.M, Martinez-Montero, S, Damha, M.J, Nagar, B. | Deposit date: | 2017-06-15 | Release date: | 2017-06-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural insights into IFIT1 dimerization and conformational changes associated with mRNA binding To Be Published
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7L6O
| Cryo-EM structure of HIV-1 Env CH848.3.D0949.10.17chim.6R.DS.SOSIP.664 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH848.3.D0949.10.17chim.6R.DS.SOSIP.664 - gp120, ... | Authors: | Manne, K, Edwards, R.J, Acharya, P. | Deposit date: | 2020-12-23 | Release date: | 2021-04-14 | Last modified: | 2021-06-09 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies. Cell, 184, 2021
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4U1D
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5TKS
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | Descriptor: | ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, 1,2-ETHANEDIOL, Coagulation factor XI, ... | Authors: | Sheriff, S. | Deposit date: | 2016-10-07 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker. J. Med. Chem., 60, 2017
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5TJL
| Crystal structure of GTA + A trisaccharide (mercury derivative) | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside | Authors: | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | Deposit date: | 2016-10-04 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release. Glycobiology, 27, 2017
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5TJO
| Crystal structure of GTB + B trisaccharide (mercury derivative) | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside | Authors: | Legg, M.S.G, Gagnon, S.M.L, Evans, S.V. | Deposit date: | 2016-10-04 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release. Glycobiology, 27, 2017
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5TKU
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | Descriptor: | 1,2-ETHANEDIOL, Factor XIa (Light Chain), METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]N ONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, ... | Authors: | Sheriff, S. | Deposit date: | 2016-10-07 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker. J. Med. Chem., 60, 2017
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4U1C
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3U4U
| Casein kinase 2 in complex with AZ-Inhibitor | Descriptor: | 3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-indol-1-yl}propanoic acid, CHLORIDE ION, Casein kinase II subunit alpha | Authors: | Larsen, N.A, Dowling, J. | Deposit date: | 2011-10-10 | Release date: | 2012-08-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Potent and Selective Inhibitors of CK2 Kinase Identified through Structure-Guided Hybridization. ACS Med Chem Lett, 3, 2012
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5SX7
| Crystal structure of catalase-peroxidase KatG of B. pseudomallei at pH 8.5 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ... | Authors: | Loewen, P.C. | Deposit date: | 2016-08-09 | Release date: | 2016-08-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Roles for Arg426 and Trp111 in the modulation of NADH oxidase activity of the catalase-peroxidase KatG from Burkholderia pseudomallei inferred from pH-induced structural changes. Biochemistry, 45, 2006
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5T18
| Crystal structure of Bruton agammabulinemia tyrosine kinase complexed with BMS-986142 aka (2s)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide | Descriptor: | 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, Tyrosine-protein kinase BTK | Authors: | Muckelbauer, J.K. | Deposit date: | 2016-08-18 | Release date: | 2017-03-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers. J. Med. Chem., 59, 2016
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5SX6
| Crystal structure of the catalase-peroxidase KatG of B. pseudomallei at pH 6.5 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ... | Authors: | Loewen, P.C. | Deposit date: | 2016-08-09 | Release date: | 2016-08-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Roles for Arg426 and Trp111 in the modulation of NADH oxidase activity of the catalase-peroxidase KatG from Burkholderia pseudomallei inferred from pH-induced structural changes. Biochemistry, 45, 2006
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4FBM
| LipS and LipT, two metagenome-derived lipolytic enzymes increase the diversity of known lipase and esterase families | Descriptor: | BROMIDE ION, LipS lipolytic enzyme | Authors: | Chow, J, Krauss, U, Dall Antonia, Y, Fersini, F, Schmeisser, C, Schmidt, M, Menyes, I, Bornscheuer, U, Lauinger, B, Bongen, P, Pietruszka, J, Eckstein, M, Thum, O, Liese, A, Mueller-Dieckmann, J, Jaeger, K.-E, Kovavic, F, Streit, W.R, Structural Proteomics in Europe (SPINE) | Deposit date: | 2012-05-23 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Metagenome-Derived Enzymes LipS and LipT Increase the Diversity of Known Lipases. Plos One, 7, 2012
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5SW4
| Crystal structure of native catalase-peroxidase KatG at pH8.0 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ... | Authors: | Loewen, P.C. | Deposit date: | 2016-08-08 | Release date: | 2016-08-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A molecular switch and electronic circuit modulate catalase activity in catalase-peroxidases. EMBO Rep., 6, 2005
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5T1Y
| MLA10 coiled-coil fragment | Descriptor: | MLA10, TRIETHYLENE GLYCOL | Authors: | Williams, S.J, Kobe, B, Bentham, A, Ericsson, D.J. | Deposit date: | 2016-08-22 | Release date: | 2016-11-02 | Last modified: | 2016-11-23 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The CC domain structure from the wheat stem rust resistance protein Sr33 challenges paradigms for dimerization in plant NLR proteins. Proc.Natl.Acad.Sci.USA, 2016
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5SX2
| Crystal structure of the D141E mutant of B. pseudomallei KatG at pH 8.0. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ... | Authors: | Loewen, P.C. | Deposit date: | 2016-08-09 | Release date: | 2016-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Two alternative substrate paths for compound I formation and reduction in catalase-peroxidase KatG from Burkholderia pseudomallei. Proteins, 66, 2007
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