5NY0
| L. reuters 100-23 SRRP | Descriptor: | L. reuteris SRRP binding region | Authors: | Sequeira, S, Dong, C. | Deposit date: | 2017-05-11 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the role of serine-rich repeat proteins from Lactobacillus reuteriin gut microbe-host interactions. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
5TR4
| Structure of Ubiquitin activating enzyme (Uba1) in complex with ubiquitin and TAK-243 | Descriptor: | Ubiquitin, Ubiquitin-activating enzyme E1 1, [(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate | Authors: | Sintchak, M.D. | Deposit date: | 2016-10-25 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification and Characterization of a Small Molecule Inhibitor of the Ubiquitin Activating Enzyme (TAK-243) To be published
|
|
7KGB
| |
5M2B
| |
5AGU
| The sliding clamp of Mycobacterium tuberculosis in complex with a natural product. | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA POLYMERASE III SUBUNIT BETA, ... | Authors: | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | Deposit date: | 2015-02-03 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.173 Å) | Cite: | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins. Science, 348, 2015
|
|
5AH4
| The sliding clamp of Mycobacterium smegmatis in complex with a natural product. | Descriptor: | CYCLOHEXYL GRISELIMYCIN, DNA POLYMERASE III SUBUNIT BETA, SODIUM ION | Authors: | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | Deposit date: | 2015-02-04 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.313 Å) | Cite: | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins. Science, 348, 2015
|
|
4MTY
| Structure at 1A resolution of a helical aromatic foldamer-protein complex. | Descriptor: | 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Ogayone, T, Buratto, J, Langlois D'Estaintot, B, Stupfel, M, Granier, T, Gallois, B, Huc, Y. | Deposit date: | 2013-09-20 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structure of a complex formed by a protein and a helical aromatic oligoamide foldamer at 2.1 a resolution. Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
6WI7
| RING1B-BMI1 fusion in closed conformation | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1 chimera, ... | Authors: | Cho, H.J, Cierpicki, T. | Deposit date: | 2020-04-08 | Release date: | 2021-04-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain. Nat.Chem.Biol., 17, 2021
|
|
6WI8
| |
1BU3
| REFINED CRYSTAL STRUCTURE OF CALCIUM-BOUND SILVER HAKE (PI 4.2) PARVALBUMIN AT 1.65 A. | Descriptor: | CALCIUM ION, CALCIUM-BINDING PROTEIN | Authors: | Richardson, R.C, Nelson, D.J, Royer, W.E, Harrington, D.J. | Deposit date: | 1998-08-30 | Release date: | 1999-08-10 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | X-Ray crystal structure and molecular dynamics simulations of silver hake parvalbumin (Isoform B). Protein Sci., 9, 2000
|
|
6XZJ
| Structure of zVDR LBD-Calcitriol in complex with chimera 12 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ACETATE ION, ARG-HIS-LYS-ILE-LEU-URR-UIL-URL-GLN, ... | Authors: | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | Deposit date: | 2020-02-04 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
6XZH
| Structure of zVDR LBD-Calcitriol in complex with chimera 10 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ARG-HIS-LYS-ILE-URL-URK-URL-LEU-GLN, Vitamin D3 receptor A | Authors: | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | Deposit date: | 2020-02-04 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.372 Å) | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
6XZI
| Structure of zVDR LBD-calcitriol in complex with chimera 11 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ACETATE ION, ARG-HIS-LYS-ILE-LEU-URK-UIL-URL, ... | Authors: | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | Deposit date: | 2020-02-04 | Release date: | 2021-02-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
6XZK
| Structure of zVDR LBD-Calcitriol in complex with chimera 13 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ACETATE ION, GLU-ASN-ALA-UIA-URL-URY-URV-UZN-LYS, ... | Authors: | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | Deposit date: | 2020-02-04 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
6XZV
| Structure of zVDR LBD-Calcitriol in complex with chimera 18 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, URA-UIA-URL-URY-URV-UZN-LYS, Vitamin D3 receptor A | Authors: | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | Deposit date: | 2020-02-05 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
7ND1
| First-in-class small molecule inhibitors of Polycomb Repressive Complex 1 (PRC1) RING domain | Descriptor: | 3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1, ... | Authors: | Cierpicki, T, Lund, G, Jaremko, L. | Deposit date: | 2021-01-29 | Release date: | 2021-06-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain. Nat.Chem.Biol., 17, 2021
|
|
5T7R
| A6-A11 trans-dicarba human insulin | Descriptor: | Insulin A chain, Insulin B chain | Authors: | Menting, J.G, Lawrence, M.C, Robinson, A.J, Forbes, B.E. | Deposit date: | 2016-09-05 | Release date: | 2017-12-06 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Insulin in motion: The A6-A11 disulfide bond allosterically modulates structural transitions required for insulin activity. Sci Rep, 7, 2017
|
|
7S8V
| |
7S0Q
| |
7SQM
| Discovery and Preclinical Pharmacology of INE963, A Potent and Fast-Acting Blood-Stage Antimalarial with a High Barrier to Resistance and Potential for Single-Dose Cure in Uncomplicated Malaria | Descriptor: | 1-[(4S)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine, GLYCEROL, Serine/threonine-protein kinase haspin | Authors: | Shu, W, Yokokawa, F. | Deposit date: | 2021-11-05 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Failure of artesunate-mefloquine combination therapy for uncompli-cated Plasmodium falciparum malaria in southern Cambodia. Malar. J., 2009, 8, 10, 2009
|
|
5VIO
| Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 13) | Descriptor: | 4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 5 | Authors: | Jasti, J, Chang, J, Kurumbail, R. | Deposit date: | 2017-04-17 | Release date: | 2018-01-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors. Eur J Med Chem, 145, 2017
|
|
5VM7
| Pseudo-atomic model of the MurA-A2 complex | Descriptor: | Maturation protein A2, UDP-N-acetylglucosamine 1-carboxyvinyltransferase | Authors: | Cui, Z, Zhang, J. | Deposit date: | 2017-04-26 | Release date: | 2017-10-18 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (5.7 Å) | Cite: | Structures of Q beta virions, virus-like particles, and the Q beta-MurA complex reveal internal coat proteins and the mechanism of host lysis. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5VIL
| Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 6) | Descriptor: | 2-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase 5 | Authors: | Jasti, J, Chang, J, Kurumbail, R. | Deposit date: | 2017-04-17 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors. Eur J Med Chem, 145, 2017
|
|
5VLY
| Asymmetric unit for the coat proteins of phage Qbeta | Descriptor: | Capsid protein | Authors: | Cui, Z, Zhang, J. | Deposit date: | 2017-04-26 | Release date: | 2017-10-18 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structures of Q beta virions, virus-like particles, and the Q beta-MurA complex reveal internal coat proteins and the mechanism of host lysis. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5VLZ
| Backbone model for phage Qbeta capsid | Descriptor: | Capsid protein, Maturation protein A2 | Authors: | Cui, Z, Zhang, J. | Deposit date: | 2017-04-26 | Release date: | 2017-10-18 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structures of Q beta virions, virus-like particles, and the Q beta-MurA complex reveal internal coat proteins and the mechanism of host lysis. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|