5V43
| Engineered human IgG Fc domain aglyco801 | Descriptor: | Ig gamma-1 chain C region | Authors: | Yan, W, Marshall, N, Zhang, Y.J. | Deposit date: | 2017-03-08 | Release date: | 2017-06-21 | Last modified: | 2017-09-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | IgG Fc domains that bind C1q but not effector Fc gamma receptors delineate the importance of complement-mediated effector functions. Nat. Immunol., 18, 2017
|
|
6T8P
| HKATII IN COMPLEX WITH LIGAND (2R)-N-benzyl-1-[6-methyl-5-(oxan-4-yl)-7-oxo-6H,7H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide, IODIDE ION, ... | Authors: | Blaesse, M, Venalainen, J. | Deposit date: | 2019-10-24 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Discovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
|
|
2BI6
| NMR STUDY OF BROMELAIN INHIBITOR VI FROM PINEAPPLE STEM | Descriptor: | BROMELAIN INHIBITOR VI | Authors: | Hatano, K.-I. | Deposit date: | 1995-12-07 | Release date: | 1996-04-03 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Solution structure of bromelain inhibitor IV from pineapple stem: structural similarity with Bowman-Birk trypsin/chymotrypsin inhibitor from soybean. Biochemistry, 35, 1996
|
|
5V4E
| Engineered human IgG Fc domain glyco801 (Fc801) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, W, Marshall, N, Zhang, Y.J. | Deposit date: | 2017-03-09 | Release date: | 2017-06-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.216 Å) | Cite: | IgG Fc domains that bind C1q but not effector Fc gamma receptors delineate the importance of complement-mediated effector functions. Nat. Immunol., 18, 2017
|
|
6Q7Q
| Crystal structure of OE1.3 | Descriptor: | OE1.3 | Authors: | Levy, C.W. | Deposit date: | 2018-12-13 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and evolution of an enzyme with a non-canonical organocatalytic mechanism. Nature, 570, 2019
|
|
6T8Q
| HKATII IN COMPLEX WITH LIGAND (2R)-N-benzyl-1-[6-methyl-5-(oxan-4-yl)-7-oxo-6H,7H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide | Descriptor: | (2~{R})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{N}-(phenylmethyl)pyrrolidine-2-carboxamide, ACETATE ION, CADMIUM ION, ... | Authors: | Blaesse, M, Venalainen, J. | Deposit date: | 2019-10-24 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
|
|
5M76
| Crystal structure of cardiotoxic Bence-Jones light chain dimer H10 | Descriptor: | BROMIDE ION, light chain dimer | Authors: | Oberti, L, Rognoni, P, Bacarizo, J, Bolognesi, M, Ricagno, S. | Deposit date: | 2016-10-26 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity. Sci Rep, 7, 2017
|
|
5M6I
| Crystal structure of non-cardiotoxic Bence-Jones light chain dimer M8 | Descriptor: | SODIUM ION, light chain dimer | Authors: | Oberti, L, Rognoni, P, Russo, R, Bacarizo, J, Bolognesi, M, Ricagno, S. | Deposit date: | 2016-10-25 | Release date: | 2017-11-15 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity. Sci Rep, 7, 2017
|
|
7OI1
| |
1N27
| Solution structure of the PWWP domain of mouse Hepatoma-derived growth factor, related protein 3 | Descriptor: | Hepatoma-derived growth factor, related protein 3 | Authors: | Nameki, N, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-10-22 | Release date: | 2003-12-23 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the PWWP domain of the hepatoma-derived growth factor family. Protein Sci., 14, 2005
|
|
7Y44
| Re-refinement of damage free X-ray structure of bovine cytochrome c oxidase at 1.9 angstrom resolution | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Tsukihara, T, Hirata, K, Ago, H. | Deposit date: | 2022-06-14 | Release date: | 2022-07-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Determination of damage-free crystal structure of an X-ray-sensitive protein using an XFEL. Nat.Methods, 11, 2014
|
|
5JHU
| Potent, Reversible MetAP2 Inhibitors via FBDD | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Dougan, D.R. | Deposit date: | 2016-04-21 | Release date: | 2016-05-25 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 1. Bioorg.Med.Chem.Lett., 26, 2016
|
|
5JI6
| Potent, Reversible MetAP2 Inhibitors via FBDD | Descriptor: | 4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole, MANGANESE (II) ION, Methionine aminopeptidase 2, ... | Authors: | Dougan, D.R, Lawson, J.D. | Deposit date: | 2016-04-21 | Release date: | 2016-05-25 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 1. Bioorg.Med.Chem.Lett., 26, 2016
|
|
6EZN
| Cryo-EM structure of the yeast oligosaccharyltransferase (OST) complex | Descriptor: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wild, R, Kowal, J, Eyring, J, Ngwa, E.M, Aebi, M, Locher, K.P. | Deposit date: | 2017-11-16 | Release date: | 2018-01-17 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular basis for glycan recognition and reaction priming of eukaryotic oligosaccharyltransferase. Nat Commun, 13, 2022
|
|
6T7Z
| KEAP1 IN COMPLEX WITH COMPOUND 44 | Descriptor: | ACE-CYS-ASA-4FB-GLU-THR-GLY-GLU-CYS-NH2, ACETATE ION, Kelch-like ECH-associated protein 1 | Authors: | Colarusso, S. | Deposit date: | 2019-10-23 | Release date: | 2020-09-09 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Optimization of linear and cyclic peptide inhibitors of KEAP1-NRF2 protein-protein interaction. Bioorg.Med.Chem., 28, 2020
|
|
2IG2
| DIR PRIMAERSTRUKTUR DES KRISTALLISIERBAREN MONOKLONALEN IMMUNOGLOBULINS IGG1 KOL. II. AMINOSAEURESEQUENZ DER L-KETTE, LAMBDA-TYP, SUBGRUPPE I (GERMAN) | Descriptor: | IGG1-LAMBDA KOL FAB (HEAVY CHAIN), IGG1-LAMBDA KOL FAB (LIGHT CHAIN) | Authors: | Marquart, M, Huber, R. | Deposit date: | 1989-04-18 | Release date: | 1989-07-12 | Last modified: | 2019-10-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The primary structure of crystallizable monoclonal immunoglobulin IgG1 Kol. II. Amino acid sequence of the L-chain, gamma-type, subgroup I Biol.Chem.Hoppe-Seyler, 370, 1989
|
|
6T7V
| KEAP1 IN COMPLEX WITH PEPTIDE 8 | Descriptor: | ACETATE ION, Kelch-like ECH-associated protein 1, LEU-ASP-PRO-GLU-THR-GLY-GLU-PHE-LEU | Authors: | Colarusso, S. | Deposit date: | 2019-10-23 | Release date: | 2020-09-09 | Last modified: | 2020-10-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Optimization of linear and cyclic peptide inhibitors of KEAP1-NRF2 protein-protein interaction. Bioorg.Med.Chem., 28, 2020
|
|
5JFR
| Potent, Reversible MetAP2 Inhibitors via Fragment Based Drug Discovery | Descriptor: | 1,2-ETHANEDIOL, 7-fluoro-4-(5-methyl-3H-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole, DIMETHYL SULFOXIDE, ... | Authors: | Dougan, D.R, Lawson, J.D. | Deposit date: | 2016-04-19 | Release date: | 2016-05-25 | Last modified: | 2016-06-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 2. Bioorg.Med.Chem.Lett., 26, 2016
|
|
4U43
| MAP4K4 in complex with inhibitor (compound 6) | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 4, N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine | Authors: | Harris, S.F, Wu, P, Coons, M. | Deposit date: | 2014-07-23 | Release date: | 2014-09-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
|
|
4U45
| MAP4K4 in complex with inhibitor (compound 25) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, MAGNESIUM ION, ... | Authors: | Harris, S.F, Wu, P, Coons, M. | Deposit date: | 2014-07-23 | Release date: | 2014-09-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
|
|
6TA8
| |
4U44
| MAP4K4 in complex with inhibitor (compound 16) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-phenyl-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ... | Authors: | Harris, S.F, Wu, P, Coons, M. | Deposit date: | 2014-07-23 | Release date: | 2014-09-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
|
|
3W9Z
| Crystal structure of DusC | Descriptor: | FLAVIN MONONUCLEOTIDE, tRNA-dihydrouridine synthase C | Authors: | Chen, M, Yu, J, Tanaka, Y, Tanaka, I, Yao, M. | Deposit date: | 2013-04-19 | Release date: | 2013-07-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of dihydrouridine synthase C (DusC) from Escherichia coli Acta Crystallogr.,Sect.F, 69, 2013
|
|
6RON
| |
6RSV
| Endothiapepsin in complex with 017 | Descriptor: | 1~{H}-1,2,3,4-tetrazol-5-ylmethyldiazane, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Magari, F, Heine, A, Klebe, G. | Deposit date: | 2019-05-22 | Release date: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Endothiapepsin in complex with 017 To Be Published
|
|