8TPH
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![BU of 8tph by Molmil](/molmil-images/mine/8tph) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | Descriptor: | (3R)-N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxybutanamide, Non-structural protein 7 | Authors: | Chua, T.K, Song, Y. | Deposit date: | 2023-08-04 | Release date: | 2024-01-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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8TPI
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![BU of 8tpi by Molmil](/molmil-images/mine/8tpi) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | Descriptor: | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-2-hydroxy-2-methylpropanamide, Non-structural protein 7 | Authors: | Chua, T.K, Song, Y. | Deposit date: | 2023-08-04 | Release date: | 2024-01-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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8TPD
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![BU of 8tpd by Molmil](/molmil-images/mine/8tpd) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | Descriptor: | 3C-like proteinase nsp5, N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[3-(2-chloroacetamido)phenyl]furan-2-carboxamide | Authors: | Chua, T.K, Song, Y. | Deposit date: | 2023-08-04 | Release date: | 2024-01-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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8TPF
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![BU of 8tpf by Molmil](/molmil-images/mine/8tpf) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | Descriptor: | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxypropanamide, Non-structural protein 7 | Authors: | Chua, T.K, Song, Y. | Deposit date: | 2023-08-04 | Release date: | 2024-01-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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8TPC
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![BU of 8tpc by Molmil](/molmil-images/mine/8tpc) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | Descriptor: | N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(2-chloroacetamido)phenyl]furan-2-carboxamide, Non-structural protein 7 | Authors: | Chua, T.K, Song, Y. | Deposit date: | 2023-08-04 | Release date: | 2024-01-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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5GSX
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![BU of 5gsx by Molmil](/molmil-images/mine/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
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5GSV
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![BU of 5gsv by Molmil](/molmil-images/mine/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
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5GR7
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![BU of 5gr7 by Molmil](/molmil-images/mine/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
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5GSR
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![BU of 5gsr by Molmil](/molmil-images/mine/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
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5GSB
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![BU of 5gsb by Molmil](/molmil-images/mine/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
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7ND1
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![BU of 7nd1 by Molmil](/molmil-images/mine/7nd1) | First-in-class small molecule inhibitors of Polycomb Repressive Complex 1 (PRC1) RING domain | Descriptor: | 3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1, ... | Authors: | Cierpicki, T, Lund, G, Jaremko, L. | Deposit date: | 2021-01-29 | Release date: | 2021-06-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain. Nat.Chem.Biol., 17, 2021
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6O5E
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![BU of 6o5e by Molmil](/molmil-images/mine/6o5e) | Crystal structure of the Vitronectin hemopexin-like domain | Descriptor: | CHLORIDE ION, IMIDAZOLE, NITRATE ION, ... | Authors: | Lechtenberg, B.C, Shin, K, Marassi, F.M. | Deposit date: | 2019-03-01 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of human Vitronectin C-terminal domain and interaction withYersinia pestisouter membrane protein Ail. Sci Adv, 5, 2019
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8SD4
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![BU of 8sd4 by Molmil](/molmil-images/mine/8sd4) | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 7 | Descriptor: | (S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | Authors: | Kadam, R.U, Zhu, X, Wilson, I.A. | Deposit date: | 2023-04-06 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry. Proc.Natl.Acad.Sci.USA, 121, 2024
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8SD2
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![BU of 8sd2 by Molmil](/molmil-images/mine/8sd2) | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 4 | Descriptor: | (S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kadam, R.U, Zhu, X.Y, Wilson, I.A. | Deposit date: | 2023-04-06 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry. Proc.Natl.Acad.Sci.USA, 121, 2024
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1FI7
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![BU of 1fi7 by Molmil](/molmil-images/mine/1fi7) | Solution structure of the imidazole complex of cytochrome C | Descriptor: | CYTOCHROME C, HEME C, IMIDAZOLE | Authors: | Banci, L, Bertini, I, Liu, G, Lu, J, Reddig, T, Tang, W, Wu, Y, Zhu, D. | Deposit date: | 2000-08-03 | Release date: | 2000-08-23 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Effects of extrinsic imidazole ligation on the molecular and electronic structure of cytochrome c J.Biol.Inorg.Chem., 6, 2001
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8Y74
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![BU of 8y74 by Molmil](/molmil-images/mine/8y74) | |
8XOM
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![BU of 8xom by Molmil](/molmil-images/mine/8xom) | Cryo-EM structure of human ABCC4 in complex with ANP-bound in NBD1 and METHOTREXATE | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ATP-binding cassette sub-family C member 4, MAGNESIUM ION, ... | Authors: | Zhang, P.F, Liu, Z. | Deposit date: | 2024-01-01 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | The ATP-bound inward-open conformation of ABCC4 reveals asymmetric ATP binding for substrate transport. Febs Lett., 2024
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8XOL
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![BU of 8xol by Molmil](/molmil-images/mine/8xol) | Cryo-EM structure of human ABCC4 with ANP bound in NBD1 | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ATP-binding cassette sub-family C member 4, MAGNESIUM ION, ... | Authors: | Zhang, P.F, Liu, Z. | Deposit date: | 2024-01-01 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | The ATP-bound inward-open conformation of ABCC4 reveals asymmetric ATP binding for substrate transport. Febs Lett., 2024
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2MKV
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![BU of 2mkv by Molmil](/molmil-images/mine/2mkv) | |
7FG9
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![BU of 7fg9 by Molmil](/molmil-images/mine/7fg9) | Alpha-1,2-glucosyltransferase_UDP_tll1591 | Descriptor: | Glycosyl transferase, URIDINE-5'-DIPHOSPHATE | Authors: | Su, J.Y. | Deposit date: | 2021-07-26 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Structural basis for glucosylsucrose synthesis by a member of the alpha-1,2-glucosyltransferase family Acta Biochim.Biophys.Sin., 54, 2022
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7FGA
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![BU of 7fga by Molmil](/molmil-images/mine/7fga) | Alpha-1,2-glucosyltransferase_UDP_sucrose_tll1591 | Descriptor: | Glycosyl transferase, URIDINE-5'-DIPHOSPHATE, alpha-D-glucopyranose-(1-1)-alpha-D-fructofuranose | Authors: | Su, J.Y. | Deposit date: | 2021-07-26 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for glucosylsucrose synthesis by a member of the alpha-1,2-glucosyltransferase family Acta Biochim.Biophys.Sin., 54, 2022
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4GAE
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![BU of 4gae by Molmil](/molmil-images/mine/4gae) | Crystal structure of plasmodium dxr in complex with a pyridine-containing inhibitor | Descriptor: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, ... | Authors: | Diao, J, Xue, J, Cai, G, Deng, L, Song, Y. | Deposit date: | 2012-07-25 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Antimalarial and Structural Studies of Pyridine-containing Inhibitors of 1-Deoxyxylulose-5-phosphate Reductoisomerase. ACS Med Chem Lett, 4, 2013
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8IZE
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![BU of 8ize by Molmil](/molmil-images/mine/8ize) | Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 4-HMBPP | Descriptor: | Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, [(E)-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate | Authors: | Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T. | Deposit date: | 2023-04-07 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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8IXV
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![BU of 8ixv by Molmil](/molmil-images/mine/8ixv) | Crystal structure of intracellular B30.2 domain of BTN3A in complex with 2Cl-HMBPP | Descriptor: | 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T. | Deposit date: | 2023-04-03 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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8IZG
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![BU of 8izg by Molmil](/molmil-images/mine/8izg) | Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 5-HMBPP | Descriptor: | 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T. | Deposit date: | 2023-04-07 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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