7TWN
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7TWO
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7TX4
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6AKJ
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![BU of 6akj by Molmil](/molmil-images/mine/6akj) | The crystal structure of EMC complex | Descriptor: | Enhancer of rudimentary homolog,YTH domain-containing protein mmi1 fusion protein, SULFATE ION | Authors: | Li, F. | Deposit date: | 2018-09-01 | Release date: | 2019-02-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A conserved dimer interface connects ERH and YTH family proteins to promote gene silencing. Nat Commun, 10, 2019
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3IG6
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![BU of 3ig6 by Molmil](/molmil-images/mine/3ig6) | Low molecular weigth human Urokinase type Plasminogen activator 2-[6-(3'-Aminomethyl-biphenyl-3-yloxy)-4-(3-dimethylamino-pyrrolidin-1-yl)-3,5-difluoro-pyridin-2-yloxy]-4-dimethylamino-benzoic acid complex | Descriptor: | 2-[(6-{[3'-(aminomethyl)biphenyl-3-yl]oxy}-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3,5-difluoropyridin-2-yl)oxy]-4-(dimethylamino)benzoic acid, PHOSPHATE ION, Urokinase-type plasminogen activator | Authors: | Adler, M, Whitlow, M. | Deposit date: | 2009-07-27 | Release date: | 2009-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Identification of orally bioavailable, non-amidine inhibitors of Urokinase Plasminogen Activator (uPA) Bioorg.Med.Chem.Lett., 19, 2009
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2ORO
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![BU of 2oro by Molmil](/molmil-images/mine/2oro) | Murine inducible nitric oxide synthase oxygenase domain (delta 114) (r)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-pyrrolidine-2-carboxylic acid (2-benzo[1,3]dioxol-5-yl-ethyl)-amide complex | Descriptor: | N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE, PROTOPORPHYRIN IX CONTAINING FE, SULFITE ION, ... | Authors: | Adler, M, Whitlow, M. | Deposit date: | 2007-02-04 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors J.Med.Chem., 50, 2007
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2ORP
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![BU of 2orp by Molmil](/molmil-images/mine/2orp) | Murine inducible nitric oxide synthase oxygenase domain (delta 114) 2-[4-(2-Imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-isobutyryl-piperazin-2-yl]-N-[2-(4-methoxy-phenyl)-ethyl]-acetamide complex | Descriptor: | 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE, PROTOPORPHYRIN IX CONTAINING FE, nitric oxide synthase, ... | Authors: | Adler, M, Whitlow, M. | Deposit date: | 2007-02-04 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors J.Med.Chem., 50, 2007
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6WQF
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8EC4
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8EBI
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8ECF
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8EBR
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3COH
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![BU of 3coh by Molmil](/molmil-images/mine/3coh) | Crystal structure of Aurora-A in complex with a pentacyclic inhibitor | Descriptor: | 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one, Serine/threonine-protein kinase 6 | Authors: | Wiesmann, C, Raswson, T.E, Cochran, A.G. | Deposit date: | 2008-03-28 | Release date: | 2009-02-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability. J.Med.Chem., 51, 2008
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7N8C
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![BU of 7n8c by Molmil](/molmil-images/mine/7n8c) | Joint X-ray/neutron structure of SARS-CoV-2 main protease (Mpro) in complex with Mcule5948770040 | 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: | 2021-06-14 | Release date: | 2021-06-23 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION | Cite: | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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7NDT
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![BU of 7ndt by Molmil](/molmil-images/mine/7ndt) | UL40:01 TCR in complex with HLA-E with a non-natural amino acid | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ... | Authors: | Pengelly, R.J, Robinson, R.A. | Deposit date: | 2021-02-02 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.999 Å) | Cite: | Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition. Eur.J.Immunol., 52, 2022
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7NDU
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![BU of 7ndu by Molmil](/molmil-images/mine/7ndu) | Gag:02 TCR in complex with HLA-E featuring a non-natural amino acid | Descriptor: | Beta-2-microglobulin, Gag6V(276-284 H4C), HLA class I histocompatibility antigen, ... | Authors: | Pengelly, R.J, Robinson, R.A. | Deposit date: | 2021-02-02 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition. Eur.J.Immunol., 52, 2022
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7NDQ
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![BU of 7ndq by Molmil](/molmil-images/mine/7ndq) | Gag:02 TCR in complex with HLA-E. | Descriptor: | Beta-2-microglobulin, Gag6V, HLA class I histocompatibility antigen, ... | Authors: | Pengelly, R.J, Robinson, R.A. | Deposit date: | 2021-02-02 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.551 Å) | Cite: | Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition. Eur.J.Immunol., 52, 2022
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8DL9
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8DLB
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![BU of 8dlb by Molmil](/molmil-images/mine/8dlb) | Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z2799209083 | Descriptor: | 1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase | Authors: | Kovalevsky, A.Y, Coates, L, Kneller, D.W. | Deposit date: | 2022-07-07 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2. J.Chem.Inf.Model., 63, 2023
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8DMD
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6XB0
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6ZKY
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![BU of 6zky by Molmil](/molmil-images/mine/6zky) | Crystal structure of InhA:01 TCR in complex with HLA-E (S147C) bound to InhA (53-61 H3C) | Descriptor: | Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], HLA class I histocompatibility antigen, ... | Authors: | Srikannathasan, V, Karuppiah, V, Robinson, R.A. | Deposit date: | 2020-06-30 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition. Eur.J.Immunol., 52, 2022
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6ZKX
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![BU of 6zkx by Molmil](/molmil-images/mine/6zkx) | Crystal structure of InhA:01 TCR in complex with HLA-E (Y84C) bound to InhA (53-61 GCG) | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Srikannathasan, V, Karuppiah, V, Robinson, R.A. | Deposit date: | 2020-06-30 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition. Eur.J.Immunol., 52, 2022
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6XB1
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6ZKZ
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![BU of 6zkz by Molmil](/molmil-images/mine/6zkz) | Crystal structure of InhA:01 TCR in complex with HLA-E (F116C) bound to InhA (53-61 H4C) | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Srikannathasan, V, Karuppiah, V, Robinson, R.A. | Deposit date: | 2020-06-30 | Release date: | 2022-01-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition. Eur.J.Immunol., 52, 2022
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