6UUO
| Crystal structure of BRAF kinase domain bound to the PROTAC P4B | Descriptor: | N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | Authors: | Maisonneuve, P, Posternak, G, Kurinov, I, Sicheri, F. | Deposit date: | 2019-10-30 | Release date: | 2020-06-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.288 Å) | Cite: | Functional characterization of a PROTAC directed against BRAF mutant V600E. Nat.Chem.Biol., 16, 2020
|
|
3RFU
| Crystal structure of a copper-transporting PIB-type ATPase | Descriptor: | Copper efflux ATPase, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Gourdon, P, Liu, X, Skjorringe, T, Morth, J.P, Birk Moller, L, Panyella Pedersen, B, Nissen, P. | Deposit date: | 2011-04-07 | Release date: | 2011-06-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of a copper-transporting PIB-type ATPase. Nature, 475, 2011
|
|
2WKY
| Crystal structure of the ligand-binding core of GluR5 in complex with the agonist 4-AHCP | Descriptor: | 3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]ISOXAZOL-4-YL)-L-ALANINE, CHLORIDE ION, GLUTAMATE RECEPTOR, ... | Authors: | Naur, P, Gajhede, M, Kastrup, J.S. | Deposit date: | 2009-06-18 | Release date: | 2009-07-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Glutamate Receptor Glur5 Agonist (S)-2-Amino-3-(3-Hydroxy-7,8-Dihydro-6H-Cyclohepta[D]Isoxazol-4-Yl)Propionic Acid and the 8-Methyl Analogue: Synthesis, Molecular Pharmacology, and Biostructural Characterization J.Med.Chem., 52, 2009
|
|
5OWC
| Indole-2 carboxamides as selective secreted phospholipase A2 type X (sPLA2-X) inhibitors | Descriptor: | 3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sandmark, J.S, Roth, R.G, Knerr, L, Bodin, C, Pettersen, D. | Deposit date: | 2017-08-31 | Release date: | 2018-08-01 | Last modified: | 2021-05-05 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of a Series of Indole-2 Carboxamides as Selective Secreted Phospholipase A2Type X (sPLA2-X) Inhibitors. Acs Med.Chem.Lett., 9, 2018
|
|
5OWL
| Low salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol | Descriptor: | 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine, Casein kinase II subunit alpha, GLYCEROL, ... | Authors: | Niefind, K, Bretner, M, Chojnacki, C. | Deposit date: | 2017-09-01 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Biological properties and structural study of new aminoalkyl derivatives of benzimidazole and benzotriazole, dual inhibitors of CK2 and PIM1 kinases. Bioorg. Chem., 80, 2018
|
|
5OWH
| High salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol | Descriptor: | 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine, CHLORIDE ION, Casein kinase II subunit alpha | Authors: | Niefind, K, Bretner, M, Chojnacki, C. | Deposit date: | 2017-09-01 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Biological properties and structural study of new aminoalkyl derivatives of benzimidazole and benzotriazole, dual inhibitors of CK2 and PIM1 kinases. Bioorg. Chem., 80, 2018
|
|
5OW8
| Indole-2 carboxamides as selective secreted phospholipase A2 type X (sPLA2-X) inhibitors | Descriptor: | 1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide, CALCIUM ION, CHLORIDE ION, ... | Authors: | Sandmark, J.S, Roth, R.G, Knerr, L, Bodin, C, Pettersen, D. | Deposit date: | 2017-08-31 | Release date: | 2018-08-01 | Last modified: | 2021-05-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a Series of Indole-2 Carboxamides as Selective Secreted Phospholipase A2Type X (sPLA2-X) Inhibitors. Acs Med.Chem.Lett., 9, 2018
|
|
5OKT
| Crystal structure of human Casein Kinase I delta in complex with IWP-2 | Descriptor: | ACETATE ION, Casein kinase I isoform delta, GLYCEROL, ... | Authors: | Pichlo, C, Brunstein, E, Baumann, U. | Deposit date: | 2017-07-25 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Discovery of Inhibitor of Wnt Production 2 (IWP-2) and Related Compounds As Selective ATP-Competitive Inhibitors of Casein Kinase 1 (CK1) delta / epsilon. J. Med. Chem., 61, 2018
|
|
5OOI
| STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA') IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P | Descriptor: | 1,2-ETHANEDIOL, 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, ACETATE ION, ... | Authors: | Hochscherf, J, Lindenblatt, D, Witulski, B, Birus, R, Aichele, D, Marminon, C, Bouaziz, Z, Le Borgne, M, Jose, J, Niefind, K. | Deposit date: | 2017-08-07 | Release date: | 2017-12-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Unexpected Binding Mode of a Potent Indeno[1,2-b]indole-Type Inhibitor of Protein Kinase CK2 Revealed by Complex Structures with the Catalytic Subunit CK2 alpha and Its Paralog CK2 alpha '. Pharmaceuticals (Basel), 10, 2017
|
|
4D8P
| Structural and functional studies of the trans-encoded HLA-DQ2.3 (DQA1*03:01/DQB1*02:01) molecule | Descriptor: | GLYCEROL, HLA-DQA1 protein, Peptide from Gamma-gliadin,HLA class II histocompatibility antigen, ... | Authors: | Kim, C.-Y, Hotta, K, Mathews, I.I, Chen, X. | Deposit date: | 2012-01-11 | Release date: | 2012-03-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural and functional studies of trans-encoded HLA-DQ2.3 (DQA1*03:01/DQB1*02:01) protein molecule J.Biol.Chem., 287, 2012
|
|
1QFU
| INFLUENZA VIRUS HEMAGGLUTININ COMPLEXED WITH A NEUTRALIZING ANTIBODY | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (HEMAGGLUTININ (HA1 CHAIN)), ... | Authors: | Fleury, D, Gigant, B, Bizebard, T, Daniels, R.S, Skehel, J.J, Knossow, M. | Deposit date: | 1999-04-14 | Release date: | 1999-04-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A complex of influenza hemagglutinin with a neutralizing antibody that binds outside the virus receptor binding site. Nat.Struct.Biol., 6, 1999
|
|
2FTY
| |
2FVK
| |
2FVM
| |
1JKW
| |
4DU0
| Crystal structure of human alpha-defensin 1, HNP1 (G17A mutant) | Descriptor: | CHLORIDE ION, GLYCEROL, Neutrophil defensin 1 | Authors: | Wu, X, Lu, W, Pazgier, M. | Deposit date: | 2012-02-21 | Release date: | 2012-04-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Invariant gly residue is important for alpha-defensin folding, dimerization, and function: a case study of the human neutrophil alpha-defensin HNP1 J.Biol.Chem., 287, 2012
|
|
3REQ
| |
2FTW
| |
1ELG
| NATURE OF THE INACTIVATION OF ELASTASE BY N-PEPTIDYL-O-AROYL HYDROXYLAMINE AS A FUNCTION OF PH | Descriptor: | (TERT-BUTYLOXYCARBONYL)-ALANYL-ALANYL-AMINE, CALCIUM ION, PORCINE PANCREATIC ELASTASE | Authors: | Ding, X, Rasmussen, B, Demuth, H.-U, Ringe, D, Steinmetz, A.C.U. | Deposit date: | 1995-03-13 | Release date: | 1995-07-10 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Nature of the inactivation of elastase by N-peptidyl-O-aroyl hydroxylamine as a function of pH. Biochemistry, 34, 1995
|
|
1ELF
| NATURE OF THE INACTIVATION OF ELASTASE BY N-PEPTIDYL-O-AROYL HYDROXYLAMINE AS A FUNCTION OF PH | Descriptor: | (TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO ETHYL-FORMAMIDE, CALCIUM ION, PORCINE PANCREATIC ELASTASE, ... | Authors: | Ding, X, Rasmussen, B, Demuth, H.-U, Ringe, D, Steinmetz, A.C.U. | Deposit date: | 1995-03-13 | Release date: | 1995-07-10 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Nature of the inactivation of elastase by N-peptidyl-O-aroyl hydroxylamine as a function of pH. Biochemistry, 34, 1995
|
|
3TZA
| Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the antagonist (S)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid at 1.9A resolution | Descriptor: | (S)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid, Glutamate receptor 2,Glutamate receptor 2, SULFATE ION | Authors: | Frydenvang, K, Kastrup, J.S. | Deposit date: | 2011-09-27 | Release date: | 2011-10-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A new phenylalanine derivative acts as an antagonist at the AMPA receptor GluA2 and introduces partial domain closure: synthesis, resolution, pharmacology, and crystal structure J.Med.Chem., 54, 2011
|
|
1ESB
| DIRECT STRUCTURE OBSERVATION OF AN ACYL-ENZYME INTERMEDIATE IN THE HYDROLYSIS OF AN ESTER SUBSTRATE BY ELASTASE | Descriptor: | CALCIUM ION, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, PORCINE PANCREATIC ELASTASE, ... | Authors: | Ding, X, Rasmussen, B, Petsko, G.A, Ringe, D. | Deposit date: | 1994-02-04 | Release date: | 1994-04-30 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Direct structural observation of an acyl-enzyme intermediate in the hydrolysis of an ester substrate by elastase. Biochemistry, 33, 1994
|
|
1XR8
| Crystal Structures of HLA-B*1501 in Complex with Peptides from Human UbcH6 and Epstein-Barr Virus EBNA-3 | Descriptor: | Beta-2-microglobulin, EBNA-3 nuclear protein, GLYCEROL, ... | Authors: | Roder, G, Blicher, T, Johannessen, B.R, Kristensen, O, Buus, S, Gajhede, M. | Deposit date: | 2004-10-14 | Release date: | 2005-04-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of two peptide-HLA-B*1501 complexes; structural characterization of the HLA-B62 supertype Acta Crystallogr.,Sect.D, 62, 2006
|
|
1XR9
| Crystal Structures of HLA-B*1501 in Complex with Peptides from Human UbcH6 and Epstein-Barr Virus EBNA-3 | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | Authors: | Roder, G, Blicher, T, Johannessen, B.R, Kristensen, O, Buus, S, Gajhede, M. | Deposit date: | 2004-10-14 | Release date: | 2005-04-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.788 Å) | Cite: | Crystal structures of two peptide-HLA-B*1501 complexes; structural characterization of the HLA-B62 supertype Acta Crystallogr.,Sect.D, 62, 2006
|
|
2VIU
| INFLUENZA VIRUS HEMAGGLUTININ | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Bizebard, T, Fleury, D, Gigant, B, Wharton, S.A, Skehel, J.J, Knossow, M. | Deposit date: | 1997-12-22 | Release date: | 1998-04-29 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Antigen distortion allows influenza virus to escape neutralization. Nat.Struct.Biol., 5, 1998
|
|