5C0G
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![BU of 5c0g by Molmil](/molmil-images/mine/5c0g) | HLA-A02 carrying YLGGPDFPTI | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | Deposit date: | 2015-06-12 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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5C0I
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![BU of 5c0i by Molmil](/molmil-images/mine/5c0i) | HAL-A02 carrying RQFGPDFPTI | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CALCIUM ION, ... | Authors: | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | Deposit date: | 2015-06-12 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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5C0E
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![BU of 5c0e by Molmil](/molmil-images/mine/5c0e) | HLA-A02 carrying YLGGPDFPTI | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, Beta-2-microglobulin, ... | Authors: | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | Deposit date: | 2015-06-12 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.491 Å) | Cite: | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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5DZL
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![BU of 5dzl by Molmil](/molmil-images/mine/5dzl) | Crystal structure of the protein human CEACAM1 | Descriptor: | Carcinoembryonic antigen-related cell adhesion molecule 1 | Authors: | Huang, Y.H, Russell, A, Gandhi, A.K, Kondo, Y, Chen, Q, Petsko, G.A, Blumberg, R.S. | Deposit date: | 2015-09-25 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.4006 Å) | Cite: | CEACAM1 regulates TIM-3-mediated tolerance and exhaustion. Nature, 517, 2015
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8GU4
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![BU of 8gu4 by Molmil](/molmil-images/mine/8gu4) | Poly(ethylene terephthalate) hydrolase (IsPETase)-linker | Descriptor: | Poly(ethylene terephthalate) hydrolase | Authors: | Xiao, Y.J, Wang, Z.F. | Deposit date: | 2022-09-09 | Release date: | 2022-11-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Biodegradation of highly crystallized poly(ethylene terephthalate) through cell surface codisplay of bacterial PETase and hydrophobin. Nat Commun, 13, 2022
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8GU5
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![BU of 8gu5 by Molmil](/molmil-images/mine/8gu5) | Wild type poly(ethylene terephthalate) hydrolase | Descriptor: | Poly(ethylene terephthalate) hydrolase | Authors: | Xiao, Y.J, Wang, Z.F. | Deposit date: | 2022-09-09 | Release date: | 2022-11-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Biodegradation of highly crystallized poly(ethylene terephthalate) through cell surface codisplay of bacterial PETase and hydrophobin. Nat Commun, 13, 2022
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8JMX
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![BU of 8jmx by Molmil](/molmil-images/mine/8jmx) | |
8JF4
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![BU of 8jf4 by Molmil](/molmil-images/mine/8jf4) | The crystal structure of human AURKA kinase domain in complex with AURKA-compound 9 | Descriptor: | 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A | Authors: | Zhu, C.J. | Deposit date: | 2023-05-17 | Release date: | 2024-02-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.89288354 Å) | Cite: | Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development. Angew.Chem.Int.Ed.Engl., 63, 2024
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5UK5
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![BU of 5uk5 by Molmil](/molmil-images/mine/5uk5) | Complex of Notch1(EGF8-12) bound to Jagged1(N-EGF3) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Garcia, K.C, Luca, V.C. | Deposit date: | 2017-01-19 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.506 Å) | Cite: | Notch-Jagged complex structure implicates a catch bond in tuning ligand sensitivity. Science, 355, 2017
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8JG8
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![BU of 8jg8 by Molmil](/molmil-images/mine/8jg8) | |
5YTE
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![BU of 5yte by Molmil](/molmil-images/mine/5yte) | Large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with with natural dT:dATP base pair | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*TP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | Authors: | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2017-11-17 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry. Angew. Chem. Int. Ed. Engl., 58, 2019
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5YTD
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![BU of 5ytd by Molmil](/molmil-images/mine/5ytd) | large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with the natural base pair 5fC:dGTP | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*(5FC)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | Authors: | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2017-11-17 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry. Angew. Chem. Int. Ed. Engl., 58, 2019
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5YTC
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![BU of 5ytc by Molmil](/molmil-images/mine/5ytc) | Large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with the unnatural base M-fC pair with dATP in the active site | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*(92F)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC)P*(DOC))-3'), ... | Authors: | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Yi, C.Q. | Deposit date: | 2017-11-17 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry. Angew. Chem. Int. Ed. Engl., 58, 2019
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5YTF
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![BU of 5ytf by Molmil](/molmil-images/mine/5ytf) | Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base M-fC pair with dA | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*CP*GP*GP*CP*GP*CP*CP*GP*(92F)P*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | Authors: | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2017-11-17 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry. Angew. Chem. Int. Ed. Engl., 58, 2019
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5YTG
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![BU of 5ytg by Molmil](/molmil-images/mine/5ytg) | Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base I-fC pair with dA | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*CP*GP*GP*CP*GP*CP*CP*GP*(94O)P*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | Authors: | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2017-11-17 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry. Angew. Chem. Int. Ed. Engl., 58, 2019
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5YTH
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![BU of 5yth by Molmil](/molmil-images/mine/5yth) | Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base M-fC pair with dG | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*CP*GP*GP*CP*GP*CP*CP*GP*(92F)P*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*GP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | Authors: | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2017-11-17 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry. Angew. Chem. Int. Ed. Engl., 58, 2019
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5Z3N
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![BU of 5z3n by Molmil](/molmil-images/mine/5z3n) | Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base 5fC pair with dA | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*CP*GP*GP*CP*GP*CP*CP*GP*(5FC)P*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | Authors: | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2018-01-08 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry. Angew. Chem. Int. Ed. Engl., 58, 2019
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4M5E
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![BU of 4m5e by Molmil](/molmil-images/mine/4m5e) | Tse3 structure | Descriptor: | CADMIUM ION, CALCIUM ION, GLYCEROL, ... | Authors: | Qian, Y. | Deposit date: | 2013-08-08 | Release date: | 2014-04-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism Mol.Microbiol., 92, 2014
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7VEM
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![BU of 7vem by Molmil](/molmil-images/mine/7vem) | the NADPH-assisted quinone oxidoreductase from Phytophthora capsici | Descriptor: | 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, the NADPH-assisted quinone oxidoreductase | Authors: | Yang, C.C, Zhu, C.Y. | Deposit date: | 2021-09-09 | Release date: | 2021-11-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structural Insights into the NAD(P)H:Quinone Oxidoreductase from Phytophthora capsici. Acs Omega, 7, 2022
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4M5F
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![BU of 4m5f by Molmil](/molmil-images/mine/4m5f) | complex structure of Tse3-Tsi3 | Descriptor: | CALCIUM ION, PHOSPHATE ION, Uncharacterized protein | Authors: | Gu, L.C. | Deposit date: | 2013-08-08 | Release date: | 2014-04-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism Mol.Microbiol., 92, 2014
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4N88
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![BU of 4n88 by Molmil](/molmil-images/mine/4n88) | Crystal structure of Tse3-Tsi3 complex with calcium ion | Descriptor: | CALCIUM ION, Uncharacterized protein | Authors: | Shang, G.J. | Deposit date: | 2013-10-17 | Release date: | 2014-04-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism Mol.Microbiol., 92, 2014
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8HEI
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![BU of 8hei by Molmil](/molmil-images/mine/8hei) | Crystal structure of CTSB in complex with E64d | Descriptor: | Cathepsin B, GLYCEROL, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate | Authors: | Wang, H, Li, D, Sun, L, Yang, H. | Deposit date: | 2022-11-08 | Release date: | 2023-12-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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8HET
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![BU of 8het by Molmil](/molmil-images/mine/8het) | Crystal structure of CTSL in complex with E64d | Descriptor: | Procathepsin L, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate | Authors: | Wang, H, Shao, M, Sun, L, Yang, H. | Deposit date: | 2022-11-08 | Release date: | 2023-12-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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8HD8
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![BU of 8hd8 by Molmil](/molmil-images/mine/8hd8) | Crystal structure of TMPRSS2 in complex with 212-148 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | Authors: | Wang, H, Liu, X, Sun, L, Yang, H. | Deposit date: | 2022-11-03 | Release date: | 2023-12-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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8HE9
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![BU of 8he9 by Molmil](/molmil-images/mine/8he9) | Crystal structure of CTSB in complex with K777 | Descriptor: | Cathepsin B, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Wang, H, Li, D, Sun, L, Yang, H. | Deposit date: | 2022-11-07 | Release date: | 2023-12-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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