6R9N
| Peroxy diiron species of chemotaxis sensor ODP | Descriptor: | CHLORIDE ION, FE (III) ION, OXYGEN ATOM, ... | Authors: | Muok, A.R, Crane, B.R. | Deposit date: | 2019-04-03 | Release date: | 2019-06-19 | Last modified: | 2022-03-30 | Method: | X-RAY DIFFRACTION (2.074 Å) | Cite: | A di-iron protein recruited as an Fe[II] and oxygen sensor for bacterial chemotaxis functions by stabilizing an iron-peroxy species. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6QNM
| |
6QWO
| Zinc-reconstituted ODP from T. maritima | Descriptor: | Oxygen-binding diiron protein, ZINC ION | Authors: | Muok, A.R, Crane, B.R. | Deposit date: | 2019-03-05 | Release date: | 2019-06-19 | Last modified: | 2022-03-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A di-iron protein recruited as an Fe[II] and oxygen sensor for bacterial chemotaxis functions by stabilizing an iron-peroxy species. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6LU7
| The crystal structure of COVID-19 main protease in complex with an inhibitor N3 | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | Deposit date: | 2020-01-26 | Release date: | 2020-02-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors. Nature, 582, 2020
|
|
5XS3
| Crystal structure of HLA Class I antigen | Descriptor: | Heavy Chain, Light Chain, P | Authors: | Wei, P.C, Yang, Y, Liu, Z.X, Luo, Z.Q, Tu, W.Y, Han, J.Y, Deng, Y.H, Yin, L. | Deposit date: | 2017-06-12 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Characterization of Autoantigen Presentation by HLA-C*06:02 in Psoriasis J. Invest. Dermatol., 137, 2017
|
|
3G9R
| |
5GSX
| Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 142-2 | Descriptor: | 10-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | Authors: | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | Deposit date: | 2016-08-17 | Release date: | 2017-06-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC. J. Immunol., 198, 2017
|
|
5GSV
| Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 142-5 | Descriptor: | 10-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | Authors: | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | Deposit date: | 2016-08-17 | Release date: | 2017-04-26 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC. J. Immunol., 198, 2017
|
|
5GR7
| Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 37-1 | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-D alpha chain, ... | Authors: | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | Deposit date: | 2016-08-08 | Release date: | 2017-06-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC. J. Immunol., 198, 2017
|
|
5GSB
| Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 37-3 | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-D alpha chain, ... | Authors: | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | Deposit date: | 2016-08-15 | Release date: | 2017-07-12 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC. J. Immunol., 198, 2017
|
|
5GSR
| Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide I5A | Descriptor: | 9-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | Authors: | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | Deposit date: | 2016-08-17 | Release date: | 2017-04-26 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC. J. Immunol., 198, 2017
|
|
4ZXT
| Complex of ERK2 with catechol | Descriptor: | AMMONIUM ION, CATECHOL, Mitogen-activated protein kinase 1, ... | Authors: | Kurinov, I, Malakhova, M. | Deposit date: | 2015-05-20 | Release date: | 2016-05-25 | Last modified: | 2016-10-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A natural small molecule, catechol, induces c-Myc degradation by directly targeting ERK2 in lung cancer. Oncotarget, 7, 2016
|
|
6B3W
| Structure of Hs/AcPRC2 in complex with 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | Descriptor: | 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit,Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | Deposit date: | 2017-09-25 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497). J. Med. Chem., 61, 2018
|
|
4WLB
| Crystal structure of RORc in complex with a partial inverse agonist compound | Descriptor: | L(+)-TARTARIC ACID, N-(4-fluorobenzyl)-N-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide, Nuclear receptor ROR-gamma, ... | Authors: | Boenig, G, Hymowitz, S.G, Kiefer, J.R. | Deposit date: | 2014-10-07 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | A reversed sulfonamide series of selective RORc inverse agonists. Bioorg.Med.Chem.Lett., 24, 2014
|
|
8FS1
| CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11a (YD905) | Descriptor: | 1,2-ETHANEDIOL, 5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), ... | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2023-01-09 | Release date: | 2023-05-10 | Last modified: | 2023-05-17 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase. Acs Chem.Biol., 18, 2023
|
|
8FS2
| CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11b (YD907) | Descriptor: | 1,2-ETHANEDIOL, 5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), ... | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2023-01-09 | Release date: | 2023-05-10 | Last modified: | 2023-05-17 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase. Acs Chem.Biol., 18, 2023
|
|
2X4Z
| Crystal Structure of the Human p21-Activated Kinase 4 in Complex with PF-03758309 | Descriptor: | GLYCEROL, PF-3758309, SERINE/THREONINE-PROTEIN KINASE PAK 4 | Authors: | Knighton, D.R, Deng, Y, Murray, B, Guo, C, Piraino, J, Westwick, J, Zhang, C, Lamerdin, J, Dagostino, E, Loi, C.-M, Zager, M, Kraynov, E, Christensen, J, Martinez, R, Kephart, S, Marakovits, J, Karlicek, S, Bergqvist, S, Smeal, T. | Deposit date: | 2010-02-03 | Release date: | 2010-05-19 | Last modified: | 2019-01-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Small-Molecule P21-Activated Kinase Inhibitor Pf- 3758309 is a Potent Inhibitor of Oncogenic Signaling and Tumor Growth. Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
7Y67
| Cryo-EM structure of C089-bound C5aR1(I116A) mutant in complex with Gi protein | Descriptor: | C089 peptide, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H. | Deposit date: | 2022-06-18 | Release date: | 2023-03-01 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanism of activation and biased signaling in complement receptor C5aR1. Cell Res., 33, 2023
|
|
7Y64
| Cryo-EM structure of C5a-bound C5aR1 in complex with Gi protein | Descriptor: | C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H. | Deposit date: | 2022-06-18 | Release date: | 2023-03-01 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Mechanism of activation and biased signaling in complement receptor C5aR1. Cell Res., 33, 2023
|
|
7Y65
| Cryo-EM structure of C5a peptide-bound C5aR1 in complex with Gi protein | Descriptor: | C5a anaphylatoxin chemotactic receptor 1, C5apep peptide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H. | Deposit date: | 2022-06-18 | Release date: | 2023-03-01 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mechanism of activation and biased signaling in complement receptor C5aR1. Cell Res., 33, 2023
|
|
7Y66
| Cryo-EM structure of BM213-bound C5aR1 in complex with Gi protein | Descriptor: | BM213 peptide, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H. | Deposit date: | 2022-06-18 | Release date: | 2023-03-01 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Mechanism of activation and biased signaling in complement receptor C5aR1. Cell Res., 33, 2023
|
|
6V2O
| HLA-B*57:01 presenting the peptide ASLNLPAVSW | Descriptor: | ACETATE ION, Beta-2-microglobulin, MHC class I antigen, ... | Authors: | Maclachlan, B, Rossjohn, J, Vivian, J.P. | Deposit date: | 2019-11-25 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6V3J
| KIR3DL1 in complex with HLA-B*57:03 presenting the peptide LSSPVTKSF | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA-B alpha chain (B*5703GB), ... | Authors: | Maclachlan, B, Rossjohn, J, Vivian, J.P. | Deposit date: | 2019-11-25 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6V2P
| HLA-B*57:03 presenting the peptide ASLNLPAVSW | Descriptor: | ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Maclachlan, B, Rossjohn, J, Vivian, J.P. | Deposit date: | 2019-11-25 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6V2Q
| HLA-B*57:03 presenting the peptide LSSPVTKSF | Descriptor: | ACETATE ION, Beta-2-microglobulin, HLA-B alpha chain (B*5703GB), ... | Authors: | Maclachlan, B, Rossjohn, J, Vivian, J.P. | Deposit date: | 2019-11-25 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|