5HD7
| Dissecting Therapeutic Resistance to ERK Inhibition Rat Mutant SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide | Descriptor: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A. | Deposit date: | 2016-01-04 | Release date: | 2016-02-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Dissecting Therapeutic Resistance to ERK Inhibition. Mol.Cancer Ther., 15, 2016
|
|
5HD4
| Dissecting Therapeutic Resistance to ERK Inhibition Rat Wild Type SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide | Descriptor: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | Authors: | Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A. | Deposit date: | 2016-01-04 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Dissecting Therapeutic Resistance to ERK Inhibition. Mol.Cancer Ther., 15, 2016
|
|
4W9A
| Crystal structure of Gamma-B Crystallin expressed in E. coli based on mRNA variant 2 | Descriptor: | Gamma-crystallin B | Authors: | Kudlinzki, D, Buhr, F, Linhard, V.L, Jha, S, Komar, A.A, Schwalbe, H. | Deposit date: | 2014-08-27 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Two synonymous gene variants encode proteins with identical sequence, but different folding conformations. To Be Published
|
|
4W9B
| Crystal structure of Gamma-B Crystallin expressed in E. coli based on mRNA variant 1 | Descriptor: | Gamma-crystallin B | Authors: | Kudlinzki, D, Buhr, F, Linhard, V.L, Jha, S, Komar, A.A, Schwalbe, H. | Deposit date: | 2014-08-27 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.279 Å) | Cite: | Two synonymous gene variants encode proteins with identical sequence, but different folding conformations. To Be Published
|
|
3RSR
| Crystal Structure of 5-NITP Inhibition of Yeast Ribonucleotide Reductase | Descriptor: | 1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-BETA-D-ERYTHRO-PENTOFURANOSYL}-5-NITRO-1H-INDOLE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large chain 1 | Authors: | Wan, Q, Mohammed, F, Jha, S, Motea, E, Berdis, A, Dealwis, C.G. | Deposit date: | 2011-05-02 | Release date: | 2012-11-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Evaluating the therapeutic potential of a non-natural nucleotide that inhibits human ribonucleotide reductase. Mol.Cancer Ther., 11, 2012
|
|
1M54
| CYSTATHIONINE-BETA SYNTHASE: REDUCED VICINAL THIOLS | Descriptor: | CYSTATHIONINE BETA-SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Taoka, S, Lepore, B.W, Kabil, O, Ojha, S, Ringe, D, Banerjee, R. | Deposit date: | 2002-07-08 | Release date: | 2002-08-14 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | HUMAN CYSTATHIONINE BETA-SYNTHASE IS A HEME SENSOR PROTEIN. EVIDENCE THAT THE
REDOX SENSOR IS HEME AND NOT THE VICINAL CYSTEINES IN THE CXXC MOTIF SEEN IN THE CRYSTAL STRUCTURE OF THE TRUNCATED ENZYME BIOCHEMISTRY, 41, 2002
|
|
7OUP
| Structure of human DPP3 in complex with a hydroxyethylene transition state peptidomimetic | Descriptor: | ((2R,4S,5S)-5-((S)-2-amino-3-methylbutanamido)-2-benzyl-4-hydroxy-6-methylheptanoyl)-L-prolyl-L-tryptophan, Dipeptidyl peptidase 3, MAGNESIUM ION, ... | Authors: | Kumar, P, Reithofer, V, Gruber, K. | Deposit date: | 2021-06-12 | Release date: | 2021-08-11 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Efficient Entropy-Driven Inhibition of Dipeptidyl Peptidase III by Hydroxyethylene Transition-State Peptidomimetics. Chemistry, 27, 2021
|
|
2WGH
| Human Ribonucleotide reductase R1 subunit (RRM1) in complex with dATP and Mg. | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Welin, R.M, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kragh-Nielsen, T, Kotzsch, A, Kotenyova, T, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wisniewska, M, Nordlund, P. | Deposit date: | 2009-04-19 | Release date: | 2009-05-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for Allosteric Regulation of Human Ribonucleotide Reductase by Nucleotide-Induced Oligomerization. Nat.Struct.Mol.Biol., 18, 2011
|
|
6TG8
| Crystal structure of the Kelch domain in complex with 11 amino acid peptide (model of the ETGE loop) | Descriptor: | Kelch-like ECH-associated protein 1, SODIUM ION, VAL-ILE-ASN-PRO-GLU-THR-GLY-GLU-GLN-ILE-GLN | Authors: | Kekez, I, Matic, S, Tomic, S, Matkovic-Calogovic, D. | Deposit date: | 2019-11-15 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Binding of dipeptidyl peptidase III to the oxidative stress cell sensor Kelch-like ECH-associated protein 1 is a two-step process. J.Biomol.Struct.Dyn., 39, 2021
|
|
6MFJ
| |
6MFP
| Crystal Structure of the RV305 C1-C2 specific ADCC potent antibody DH677.3 Fab in complex with HIV-1 clade A/E gp120 and M48U1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Tolbert, W.D, Young, B, Pazgier, M. | Deposit date: | 2018-09-11 | Release date: | 2019-09-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Boosting with AIDSVAX B/E Enhances Env Constant Region 1 and 2 Antibody-Dependent Cellular Cytotoxicity Breadth and Potency. J.Virol., 94, 2020
|
|
3HND
| Crystal structure of human ribonucleotide reductase 1 bound to the effector TTP and substrate GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ... | Authors: | Fairman, J.W, Wijerathna, S.R, Xu, H, Dealwis, C.G. | Deposit date: | 2009-05-31 | Release date: | 2011-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Structural basis for allosteric regulation of human ribonucleotide reductase by nucleotide-induced oligomerization. Nat.Struct.Mol.Biol., 18, 2011
|
|
3HNF
| Crystal structure of human ribonucleotide reductase 1 bound to the effectors TTP and dATP | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ... | Authors: | Fairman, J.W, Wijerathna, S.R, Xu, H, Dealwis, C.G. | Deposit date: | 2009-05-31 | Release date: | 2011-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.16 Å) | Cite: | Structural basis for allosteric regulation of human ribonucleotide reductase by nucleotide-induced oligomerization. Nat.Struct.Mol.Biol., 18, 2011
|
|
4GMX
| |
3HNE
| Crystal structure of human ribonucleotide reductase 1 bound to the effectors TTP and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ... | Authors: | Fairman, J.W, Wijerathna, S.R, Xu, H, Dealwis, C.G. | Deposit date: | 2009-05-31 | Release date: | 2011-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Structural basis for allosteric regulation of human ribonucleotide reductase by nucleotide-induced oligomerization. Nat.Struct.Mol.Biol., 18, 2011
|
|
3HNC
| Crystal structure of human ribonucleotide reductase 1 bound to the effector TTP | Descriptor: | MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, SULFATE ION, ... | Authors: | Fairman, J.W, Wijerathna, S.R, Xu, H, Dealwis, C.G. | Deposit date: | 2009-05-31 | Release date: | 2011-02-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structural basis for allosteric regulation of human ribonucleotide reductase by nucleotide-induced oligomerization. Nat.Struct.Mol.Biol., 18, 2011
|
|
7LTJ
| Room-temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with a non-covalent inhibitor Mcule-5948770040 | Descriptor: | 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-02-19 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor. J.Chem.Inf.Model., 62, 2022
|
|
7N0X
| Rhesusized RV144 DH827 Fab bound to HIV-1 Env V2 peptide | Descriptor: | DI(HYDROXYETHYL)ETHER, Glycoprotein 120, Rhesusized RV144 DH827 heavy chain Fab fragment, ... | Authors: | Tolbert, W.D, Pazgier, M. | Deposit date: | 2021-05-26 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and Fc-Effector Function of Rhesusized Variants of Human Anti-HIV-1 IgG1s. Front Immunol, 12, 2021
|
|
7N8Q
| |
3PAW
| |
4YLK
| Crystal structure of DYRK1A in complex with 10-Chloro-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5s | Descriptor: | 1,2-ETHANEDIOL, 10-chloro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | Authors: | Chaikuad, A, Falke, H, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-05 | Release date: | 2015-03-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A. J.Med.Chem., 58, 2015
|
|
4YLJ
| Crystal structure of DYRK1A in complex with 10-Iodo-substituted 11H-indolo[3,2-c]quinoline-6-carboxylic acid inhibitor 5j | Descriptor: | 10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | Authors: | Chaikuad, A, Falke, H, Nowak, R, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-05 | Release date: | 2015-03-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | 10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A. J.Med.Chem., 58, 2015
|
|
4YLL
| Crystal structure of DYRK1AA in complex with 10-Bromo-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5t | Descriptor: | 1,2-ETHANEDIOL, 10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | Authors: | Chaikuad, A, Falke, H, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-05 | Release date: | 2015-03-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A. J.Med.Chem., 58, 2015
|
|