3H6F
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![BU of 3h6f by Molmil](/molmil-images/mine/3h6f) | |
5JUR
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![BU of 5jur by Molmil](/molmil-images/mine/5jur) | PB2 bound to an azaindole inhibitor | Descriptor: | (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid, Polymerase basic protein 2 | Authors: | Jacobs, M.D. | Deposit date: | 2016-05-10 | Release date: | 2017-03-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2. ACS Med Chem Lett, 8, 2017
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5JUN
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![BU of 5jun by Molmil](/molmil-images/mine/5jun) | PB2 bound to an azaindole inhibitor | Descriptor: | (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid, Polymerase basic protein 2 | Authors: | Jacobs, M.D. | Deposit date: | 2016-05-10 | Release date: | 2017-05-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2. ACS Med Chem Lett, 8, 2017
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4DNW
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![BU of 4dnw by Molmil](/molmil-images/mine/4dnw) | Crystal structure of UVB-resistance protein UVR8 | Descriptor: | AT5g63860/MGI19_6 | Authors: | Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Wang, J, Shi, Y. | Deposit date: | 2012-02-09 | Release date: | 2012-03-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.773 Å) | Cite: | Structural basis of ultraviolet-B perception by UVR8. Nature, 484, 2012
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4DNV
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![BU of 4dnv by Molmil](/molmil-images/mine/4dnv) | Crystal structure of the W285F mutant of UVB-resistance protein UVR8 | Descriptor: | AT5g63860/MGI19_6 | Authors: | Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Zhang, J, Wang, J, Shi, Y. | Deposit date: | 2012-02-09 | Release date: | 2012-03-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Structural basis of ultraviolet-B perception by UVR8. Nature, 484, 2012
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4DNU
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![BU of 4dnu by Molmil](/molmil-images/mine/4dnu) | Crystal structure of the W285A mutant of UVB-resistance protein UVR8 | Descriptor: | AT5g63860/MGI19_6 | Authors: | Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Zhang, J, Wang, J, Shi, Y. | Deposit date: | 2012-02-09 | Release date: | 2012-03-07 | Last modified: | 2013-07-17 | Method: | X-RAY DIFFRACTION (1.764 Å) | Cite: | Structural basis of ultraviolet-B perception by UVR8. Nature, 484, 2012
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8AQF
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![BU of 8aqf by Molmil](/molmil-images/mine/8aqf) | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND LEI-515 | Descriptor: | 1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one, Monoglyceride lipase | Authors: | Jiang, M, Huizenga, M, Wirt, J, Paloczi, J, Amedi, A, van der Berg, R, Benz, J, Collin, L, Deng, H, Driever, W, Florea, B, Grether, U, Janssen, A, Heitman, L, Lam, T.W, Mohr, F, Pavlovic, A, Ruf, I, Rutjes, H, Stevens, F, van der Vliet, D, van der Wel, T, Wittwer, M, Boeckel, C, Pacher, P, Hohmann, A, van der Stelt, M. | Deposit date: | 2022-08-12 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of a peripheral restricted, reversible monoacylglycerol lipase inhibitor that reduces liver injury and chemotherapy-induced neuropathy To Be Published
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4C13
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![BU of 4c13 by Molmil](/molmil-images/mine/4c13) | x-ray crystal structure of Staphylococcus aureus MurE with UDP-MurNAc- Ala-Glu-Lys | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Ruane, K.M, Roper, D.I, Fulop, V, Barreteau, H, Boniface, A, Dementin, S, Blanot, D, Mengin-Lecreulx, D, Gobec, S, Dessen, A, Dowson, C.G, Lloyd, A.J. | Deposit date: | 2013-08-09 | Release date: | 2013-10-02 | Last modified: | 2021-03-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a first-in-class CDK2 selective degrader for AML differentiation therapy. Nat.Chem.Biol., 2021
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5EIB
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![BU of 5eib by Molmil](/molmil-images/mine/5eib) | |
2OYP
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![BU of 2oyp by Molmil](/molmil-images/mine/2oyp) | T Cell Immunoglobulin Mucin-3 Crystal Structure Revealed a Galectin-9-independent Binding Surface | Descriptor: | Hepatitis A virus cellular receptor 2, SULFATE ION | Authors: | Cao, E, Ramagopal, U.A, Fedorov, A.A, Fedorov, E.V, Nathenson, S.G, Almo, S.C. | Deposit date: | 2007-02-22 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | T cell immunoglobulin mucin-3 crystal structure reveals a galectin-9-independent ligand-binding surface Immunity, 26, 2007
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4Y5O
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![BU of 4y5o by Molmil](/molmil-images/mine/4y5o) | CCM2 HHD in complex with MEKK3 NPB1 | Descriptor: | Malcavernin, Mitogen-activated protein kinase kinase kinase 3 | Authors: | Fisher, O.S, Boggon, T.J. | Deposit date: | 2015-02-11 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure and vascular function of MEKK3-cerebral cavernous malformations 2 complex. Nat Commun, 6, 2015
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8G3C
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![BU of 8g3c by Molmil](/molmil-images/mine/8g3c) | |
8G3E
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![BU of 8g3e by Molmil](/molmil-images/mine/8g3e) | Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor) | Descriptor: | (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide, WD repeat-containing protein 5 | Authors: | Zhao, M. | Deposit date: | 2023-02-07 | Release date: | 2023-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction. J.Med.Chem., 66, 2023
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5CI6
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![BU of 5ci6 by Molmil](/molmil-images/mine/5ci6) | |
6L9K
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![BU of 6l9k by Molmil](/molmil-images/mine/6l9k) | H2-Ld a1a2 complexed with A5 peptide | Descriptor: | H2-Ld a1a2, SER-PRO-SER-TYR-ALA-TYR-HIS-GLN-PHE | Authors: | Wei, P.C, Yin, L. | Deposit date: | 2019-11-10 | Release date: | 2020-11-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures suggest an approach for converting weak self-peptide tumor antigens into superagonists for CD8 T cells in cancer. Proc.Natl.Acad.Sci.USA, 118, 2021
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6L9N
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![BU of 6l9n by Molmil](/molmil-images/mine/6l9n) | H2-Ld complexed with A5 peptide | Descriptor: | MHC, SER-PRO-SER-TYR-ALA-TYR-HIS-GLN-PHE, b2m | Authors: | Wei, P.C, Yin, L. | Deposit date: | 2019-11-10 | Release date: | 2020-11-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures suggest an approach for converting weak self-peptide tumor antigens into superagonists for CD8 T cells in cancer. Proc.Natl.Acad.Sci.USA, 118, 2021
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6L9L
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![BU of 6l9l by Molmil](/molmil-images/mine/6l9l) | 1D4 TCR recognition of H2-Ld a1a2 A5 Peptide Complexes | Descriptor: | H2-Ld a1a2, SER-PRO-SER-TYR-ALA-TYR-HIS-GLN-PHE, T Cell Receptor | Authors: | Wei, P.C, Yin, L. | Deposit date: | 2019-11-10 | Release date: | 2020-11-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | Structures suggest an approach for converting weak self-peptide tumor antigens into superagonists for CD8 T cells in cancer. Proc.Natl.Acad.Sci.USA, 118, 2021
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6L9M
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![BU of 6l9m by Molmil](/molmil-images/mine/6l9m) | H2-Ld complexed with AH1 peptide | Descriptor: | H2-Ld, SER-PRO-SER-TYR-VAL-TYR-HIS-GLN-PHE, b2m | Authors: | Wei, P.C, Yin, L. | Deposit date: | 2019-11-10 | Release date: | 2020-11-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures suggest an approach for converting weak self-peptide tumor antigens into superagonists for CD8 T cells in cancer. Proc.Natl.Acad.Sci.USA, 118, 2021
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2OA5
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![BU of 2oa5 by Molmil](/molmil-images/mine/2oa5) | Crystal structure of ORF52 from Murid herpesvirus (MUHV-4) (Murine gammaherpesvirus 68) at 2.1 A resolution. Northeast Structural Genomics Consortium target MHR28B. | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Hypothetical protein BQLF2 | Authors: | Benach, J, Chen, Y, Seetharaman, J, Janjua, H, Xiao, R, Cunningham, K, Ma, L.-C, Ho, C.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-12-14 | Release date: | 2007-01-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and functional studies of the abundant tegument protein ORF52 from murine gammaherpesvirus 68. J.Biol.Chem., 282, 2007
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2I4T
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![BU of 2i4t by Molmil](/molmil-images/mine/2i4t) | Crystal structure of Purine Nucleoside Phosphorylase from Trichomonas vaginalis with Imm-A | Descriptor: | 3,4-PYRROLIDINEDIOL,2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)-2S,3S,4R,5R, PHOSPHATE ION, Trichomonas vaginalis purine nucleoside phosphorylase | Authors: | Rinaldo-Matthis, A, Schramm, V.L, Almo, S.C. | Deposit date: | 2006-08-22 | Release date: | 2007-06-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Inhibition and structure of Trichomonas vaginalis purine nucleoside phosphorylase with picomolar transition state analogues. Biochemistry, 46, 2007
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5HGU
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![BU of 5hgu by Molmil](/molmil-images/mine/5hgu) | |
2ISC
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![BU of 2isc by Molmil](/molmil-images/mine/2isc) | Crystal structure of Purine Nucleoside Phosphorylase from Trichomonas vaginalis with DADMe-Imm-A | Descriptor: | (3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN-3-OL, PHOSPHATE ION, purine nucleoside phosphorylase | Authors: | Rinaldo-Matthis, A, Almo, S.C, Schramm, V.L. | Deposit date: | 2006-10-17 | Release date: | 2007-06-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibition and structure of Trichomonas vaginalis purine nucleoside phosphorylase with picomolar transition state analogues Biochemistry, 46, 2007
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8ITE
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![BU of 8ite by Molmil](/molmil-images/mine/8ite) | |
5YGI
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![BU of 5ygi by Molmil](/molmil-images/mine/5ygi) | |
4Z2B
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![BU of 4z2b by Molmil](/molmil-images/mine/4z2b) | The structure of human PDE12 residues 161-609 in complex with GSK3036342A | Descriptor: | 1,2-ETHANEDIOL, 2',5'-phosphodiesterase 12, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Nolte, R.T, Wisely, B, Wang, L, Wood, E.R. | Deposit date: | 2015-03-29 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Role of Phosphodiesterase 12 (PDE12) as a Negative Regulator of the Innate Immune Response and the Discovery of Antiviral Inhibitors. J.Biol.Chem., 290, 2015
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