7OW4
 
 | | Crystal structure of HLA-A*11:01 in complex with KRAS G12D peptide (VVVGADGVGK) | | Descriptor: | Beta-2-microglobulin, KRAS G12D peptide (VVVGADGVGK), MHC class I antigen, ... | | Authors: | Coles, C.H, Karuppiah, V, Robinson, R.A. | | Deposit date: | 2021-06-16 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Therapeutic high affinity T cell receptor targeting a KRASG12D cancer neoantigen
Nat Commun, 13, 2022
|
|
3WLW
 | | Molecular Architecture of the ErbB2 Extracellular Domain Homodimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody H Chain, ... | | Authors: | Hu, S, Lou, Z.Y, Guo, Y.J. | | Deposit date: | 2013-11-15 | | Release date: | 2015-05-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.088 Å) | | Cite: | Molecular architecture of the ErbB2 extracellular domain homodimer.
Oncotarget, 6, 2015
|
|
6Y1Y
 | |
3DJN
 | | Crystal structure of mouse TIS21 | | Descriptor: | Protein BTG2 | | Authors: | Yang, X, Morita, M, Wang, H, Suzuki, T, Bartlam, M, Yamamoto, T. | | Deposit date: | 2008-06-24 | | Release date: | 2008-11-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of human BTG2 and mouse TIS21 involved in suppression of CAF1 deadenylase activity
Nucleic Acids Res., 36, 2008
|
|
3DJU
 | | Crystal structure of human BTG2 | | Descriptor: | Protein BTG2 | | Authors: | Yang, X, Morita, M, Wang, H, Suzuki, T, Bartlam, M, Yamamoto, T. | | Deposit date: | 2008-06-24 | | Release date: | 2008-11-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal structures of human BTG2 and mouse TIS21 involved in suppression of CAF1 deadenylase activity
Nucleic Acids Res., 36, 2008
|
|
4V06
 | | Crystal structure of human tryptophan hydroxylase 2 (TPH2), catalytic domain | | Descriptor: | FE (III) ION, IMIDAZOLE, TRYPTOPHAN 5-HYDROXYLASE 2 | | Authors: | Kopec, J, Oberholzer, A, Fitzpatrick, F, Newman, J, Tallant, C, Kiyani, W, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | | Deposit date: | 2014-09-11 | | Release date: | 2014-10-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Crystal Structure of Human Tryptophane Hydroxylase 2 (Tph2), Catalytic Domain
To be Published
|
|
6SMB
 | | Human jak1 kinase domain in complex with inhibitor | | Descriptor: | Tyrosine-protein kinase JAK1, ~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide | | Authors: | Read, J.A, Steuber, H. | | Deposit date: | 2019-08-21 | | Release date: | 2020-04-29 | | Last modified: | 2020-05-27 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor.
J.Med.Chem., 63, 2020
|
|
4CVH
 | | Crystal structure of human isoprenoid synthase domain-containing protein | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, ISOPRENOID SYNTHASE DOMAIN-CONTAINING PROTEIN, ... | | Authors: | Kopec, J, Froese, D.S, Krojer, T, Newman, J, Kiyani, W, Goubin, S, Strain-Damerell, C, Vollmar, M, von Delft, F, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Lefeber, D.J, Yue, W.W. | | Deposit date: | 2014-03-27 | | Release date: | 2015-02-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Human Ispd is a Cytidyltransferase Required for Dystroglycan O-Mannosylation.
Chem.Biol., 22, 2015
|
|
2YOJ
 | | HCV NS5B polymerase complexed with pyridonylindole compound | | Descriptor: | 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid, PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE | | Authors: | Chen, K.X, Venkatraman, S, Anilkumar, G.N, Zeng, Q, Lesburg, C.A, Vibulbhan, B, Yang, W, Velazquez, F, Chan, T.-Y, Bennett, F, Sannigrahi, M, Jiang, Y, Duca, J.S, Pinto, P, Gavalas, S, Huang, Y, Wu, W, Selyutin, O, Agrawal, S, Feld, B, Huang, H.-C, Li, C, Cheng, K.-C, Shih, N.-Y, Kozlowski, J.A, Rosenblum, S.B, Njoroge, F.G. | | Deposit date: | 2012-10-24 | | Release date: | 2013-10-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Discovery of Sch 900188: A Potent Hepatitis C Virus Ns5B Polymerase Inhibitor Prodrug as a Development Candidate
Acs Med.Chem.Lett., 5, 2014
|
|
6SM8
 | | Human jak1 kinase domain in complex with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile, Tyrosine-protein kinase JAK1 | | Authors: | Read, J.A, Steuber, H. | | Deposit date: | 2019-08-21 | | Release date: | 2020-04-29 | | Last modified: | 2020-05-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor.
J.Med.Chem., 63, 2020
|
|
3TYV
 | |
5GMZ
 | | Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine | | Descriptor: | (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | | Authors: | Xu, Z.H, Zhou, Z. | | Deposit date: | 2016-07-18 | | Release date: | 2016-08-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors
J.Med.Chem., 59, 2016
|
|
3WD5
 | | Crystal structure of TNFalpha in complex with Adalimumab Fab fragment | | Descriptor: | Adalimumab Heavy Chain, Adalimumab Light Chain, Tumor necrosis factor | | Authors: | Hu, S, Liang, S.Y, Guo, Y.J, Lou, Z.Y. | | Deposit date: | 2013-06-06 | | Release date: | 2013-08-14 | | Last modified: | 2015-07-01 | | Method: | X-RAY DIFFRACTION (3.101 Å) | | Cite: | Comparison of the inhibition mechanisms of adalimumab and infliximab in treating tumor necrosis factor alpha-associated diseases from a molecular view
J.Biol.Chem., 288, 2013
|
|
4R0S
 | | Crystal structure of P. aeruginosa TpbA | | Descriptor: | GLYCEROL, PHOSPHATE ION, Protein tyrosine phosphatase TpbA | | Authors: | Xu, K, Li, S, Wang, Y, Bartlam, M. | | Deposit date: | 2014-08-01 | | Release date: | 2015-05-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural and Biochemical Analysis of Tyrosine Phosphatase Related to Biofilm Formation A (TpbA) from the Opportunistic Pathogen Pseudomonas aeruginosa PAO1
PLoS ONE, 10, 2015
|
|
4R1C
 | |
4R19
 | |
4R1A
 | |
7C7P
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir | | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION | | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J. | | Deposit date: | 2020-05-26 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
|
|
7COM
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121) | | Descriptor: | 3C-like proteinase, boceprevir (bound form) | | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J. | | Deposit date: | 2020-08-04 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
|
|
1GGE
 | | CRYSTAL STRUCTURE OF CATALASE HPII FROM ESCHERICHIA COLI, NATIVE STRUCTURE AT 1.9 A RESOLUTION. | | Descriptor: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, PROTEIN (CATALASE HPII) | | Authors: | Melik-Adamyan, W.R, Bravo, J, Carpena, X, Switala, J, Mate, M.J, Fita, I, Loewen, P.C. | | Deposit date: | 2000-08-16 | | Release date: | 2000-08-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Substrate flow in catalases deduced from the crystal structures of active site variants of HPII from Escherichia coli.
Proteins, 44, 2001
|
|
1GGJ
 | | CRYSTAL STRUCTURE OF CATALASE HPII FROM ESCHERICHIA COLI, ASN201ALA VARIANT. | | Descriptor: | CATALASE HPII, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE | | Authors: | Melik-Adamyan, W.R, Bravo, J, Carpena, X, Switala, J, Mate, M.J, Fita, I, Loewen, P.C. | | Deposit date: | 2000-08-21 | | Release date: | 2000-08-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Substrate flow in catalases deduced from the crystal structures of active site variants of HPII from Escherichia coli.
Proteins, 44, 2001
|
|
3HI5
 | | Crystal structure of Fab fragment of AL-57 | | Descriptor: | Heavy chain of Fab fragment of AL-57 against alpha L I domain, light chain of Fab fragment of AL-57 against alpha L I domain | | Authors: | Zhang, H, Wang, J. | | Deposit date: | 2009-05-18 | | Release date: | 2009-09-22 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of activation-dependent binding of ligand-mimetic antibody AL-57 to integrin LFA-1.
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
6MO5
 | | Co-Crystal structure of P. aeruginosa LpxC-50228 complex | | Descriptor: | MAGNESIUM ION, N-[(2S)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase | | Authors: | Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R. | | Deposit date: | 2018-10-04 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
|
|
4Z64
 | | the plant peptide hormone receptor complex in arabidopsis | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine, ... | | Authors: | Chai, J, Wang, J, Han, Z. | | Deposit date: | 2015-04-03 | | Release date: | 2016-03-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.659 Å) | | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine
Nature, 525, 2015
|
|
4Z63
 | | The plant peptide hormone receptor in arabidopsis | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine, Phytosulfokine receptor 1 | | Authors: | Chai, J, Wang, J, Han, Z. | | Deposit date: | 2015-04-03 | | Release date: | 2016-03-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.514 Å) | | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine
Nature, 525, 2015
|
|
