6PUL
| Structure of human MAIT A-F7 TCR in complex with human MR1 3'D-5-OP-RU | Descriptor: | 1,3-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, ACETATE ION, Beta-2-microglobulin, ... | Authors: | Awad, W, Keller, A.N, Rossjohn, J. | Deposit date: | 2019-07-18 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
|
|
6PUE
| Structure of human MAIT A-F7 TCR in complex with human MR1-4'D-5-OP-RU | Descriptor: | 1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Awad, W, Rossjohn, J. | Deposit date: | 2019-07-18 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
|
|
6PUC
| Structure of human MAIT A-F7 TCR in complex with human MR1-5-OP-RU | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Awad, W, Rossjohn, J. | Deposit date: | 2019-07-18 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
|
|
6PUI
| Structure of human MAIT A-F7 TCR in complex with human MR1-4'OH-Butyl-5-OP-U | Descriptor: | 6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Awad, W, Keller, A.N, Rossjohn, J. | Deposit date: | 2019-07-18 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
|
|
6PUH
| Structure of human MAIT A-F7 TCR in complex with human MR1-Ribityl-less | Descriptor: | 6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, Human TCR alpha chain, ... | Authors: | Awad, W, Keller, A.N, Rossjohn, J. | Deposit date: | 2019-07-18 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
|
|
6PUJ
| Structure of human MAIT A-F7 TCR in complex with human MR1-3`OH-Propyl-5-OP-U | Descriptor: | 6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Awad, W, Keller, A.N, Rossjohn, J. | Deposit date: | 2019-07-18 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
|
|
6PUD
| Structure of human MAIT A-F7 TCR in complex with human MR1-5'OH-Pentyl-5-OP-U | Descriptor: | 6-[(5-hydroxypentyl)amino]-5-[(E)-propylideneamino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, Human TCR alpha chain, ... | Authors: | Awad, W, Rossjohn, J. | Deposit date: | 2019-07-18 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
|
|
6CCL
| Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 1-benzyl-1H-imidazo[4,5-b]pyridine | Descriptor: | 1-benzyl-1H-imidazo[4,5-b]pyridine, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-02-07 | Release date: | 2018-03-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
|
|
6CHP
| |
6FIB
| Structure of human 4-1BB ligand | Descriptor: | Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor ligand superfamily member 9,4-1BBL -CH/CL fusion, Tumor necrosis factor ligand superfamily member 9,Uncharacterized protein | Authors: | Joseph, C, Claus, C, Ferrara, C, von Hirschheydt, T, Prince, C, Funk, D, Klein, C, Benz, J. | Deposit date: | 2018-01-17 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Tumor-targeted 4-1BB agonists for combination with T cell bispecific antibodies as off-the-shelf therapy. Sci Transl Med, 11, 2019
|
|
6Y4Q
| Structure of a stapled peptide bound to MDM2 | Descriptor: | ACE-LEU-THR-PHE-GLY-GLU-TYR-TRP-ALA-GLN-LEU-ALA-SER, E3 ubiquitin-protein ligase Mdm2, ~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide | Authors: | Pantelejevs, T, Bakanovych, I. | Deposit date: | 2020-02-22 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Diarylethene moiety as an enthalpy-entropy switch: photoisomerizable stapled peptides for modulating p53/MDM2 interaction. Org.Biomol.Chem., 18, 2020
|
|
2PJT
| Crystal structure of the catalytic domain of MMP-13 complexed with WAY-344 | Descriptor: | CALCIUM ION, Collagenase 3, TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE, ... | Authors: | Xu, Z, Huang, A, Lovering, F, Levin, J.I, Mosyak, L. | Deposit date: | 2007-04-16 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket. Bioorg.Med.Chem., 15, 2007
|
|
5LP8
| |
6P5S
| HIPK2 kinase domain bound to CX-4945 | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Homeodomain-interacting protein kinase 2 | Authors: | Agnew, C, Liu, L, Jura, N. | Deposit date: | 2019-05-30 | Release date: | 2019-07-31 | Last modified: | 2019-09-25 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | The crystal structure of the protein kinase HIPK2 reveals a unique architecture of its CMGC-insert region. J.Biol.Chem., 294, 2019
|
|
1QB9
| |
4KK1
| Crystal Structure of TSC1 core domain from S. pombe | Descriptor: | Tuberous sclerosis 1 protein homolog | Authors: | Sun, W, Zhu, Y, Wang, Z.Z, Zhong, Q, Gao, F, Lou, J.Z, Gong, W.M, Xu, W.Q. | Deposit date: | 2013-05-05 | Release date: | 2013-07-17 | Last modified: | 2013-07-31 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of the yeast TSC1 core domain and implications for tuberous sclerosis pathological mutations. Nat Commun, 4, 2013
|
|
4KK0
| Crystal Structure of TSC1 core domain from S. pombe | Descriptor: | Tuberous sclerosis 1 protein homolog | Authors: | Sun, W, Zhu, Y, Wang, Z.Z, Zhong, Q, Gao, F, Lou, J.Z, Gong, W.M, Xu, W.Q. | Deposit date: | 2013-05-05 | Release date: | 2013-07-17 | Last modified: | 2013-07-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of the yeast TSC1 core domain and implications for tuberous sclerosis pathological mutations. Nat Commun, 4, 2013
|
|
4ANM
| Complex of CK2 with a CDC7 inhibitor | Descriptor: | 8-BROMANYL-2-[[(3S)-3-OXIDANYLPYRROLIDIN-1-YL]METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE, CASEIN KINASE II SUBUNIT ALPHA | Authors: | Stout, T.J. | Deposit date: | 2012-03-20 | Release date: | 2012-05-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Xl413, a Potent and Selective Cdc7 Inhibitor. Bioorg.Med.Chem.Lett., 22, 2012
|
|
4ALW
| Benzofuropyrimidinone Inhibitors of Pim-1 | Descriptor: | 8-BROMANYL-2-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE, IMIDAZOLE, PIM-1 KINASE | Authors: | Stout, T.J, Adams, L. | Deposit date: | 2012-03-05 | Release date: | 2013-01-16 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
|
|
4ALU
| Benzofuropyrimidinone Inhibitors of Pim-1 | Descriptor: | 8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1 | Authors: | Stout, T.J, Adams, L. | Deposit date: | 2012-03-05 | Release date: | 2013-01-16 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
|
|
4ALV
| Benzofuropyrimidinone Inhibitors of Pim-1 | Descriptor: | 8-bromo-2-{2-chloro-4-[(piperidin-4-ylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1 | Authors: | Stout, T.J, Adams, L. | Deposit date: | 2012-03-05 | Release date: | 2013-01-16 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
|
|
4TOT
| |
5CM4
| Crystal structure of human Frizzled 4 Cysteine-Rich Domain (CRD) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-4 | Authors: | Ke, J, Parker, N, Gu, X, Zhang, C, Melcher, K, Xu, H.E. | Deposit date: | 2015-07-16 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of the Norrin-Frizzled 4 interaction. Cell Res., 25, 2015
|
|
1QBO
| |
5YTK
| Crystal structure of SIRT3 bound to a leucylated AceCS2 | Descriptor: | AceCS2-KLeu, LEUCINE, LYSINE, ... | Authors: | Li, J, Gong, W, Xu, Y. | Deposit date: | 2017-11-18 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Sensing and Transmitting Intracellular Amino Acid Signals through Reversible Lysine Aminoacylations Cell Metab., 27, 2018
|
|