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8JWZ
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BU of 8jwz by Molmil
Crystal structure of A2AR-T4L in complex with AB928
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ...
著者Weng, Y, Chen, Y, Xu, Y, Song, G.
登録日2023-06-29
公開日2023-08-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
4EQA
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BU of 4eqa by Molmil
Crystal structure of PA1844 in complex with PA1845 from Pseudomonas aeruginosa PAO1
分子名称: Putative uncharacterized protein
著者Shang, G, Li, N, Zhang, J, Lu, D, Yu, Q, Zhao, Y, Liu, X, Xu, S, Gu, L.
登録日2012-04-18
公開日2012-09-12
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insight into how Pseudomonas aeruginosa peptidoglycanhydrolase Tse1 and its immunity protein Tsi1 function.
Biochem.J., 448, 2012
4EQ8
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BU of 4eq8 by Molmil
Crystal structure of PA1844 from Pseudomonas aeruginosa PAO1
分子名称: GLYCEROL, Putative uncharacterized protein
著者Shang, G, Li, N, Zhang, J, Lu, D, Yu, Q, Zhao, Y, Liu, X, Xu, S, Gu, L.
登録日2012-04-18
公開日2012-09-12
最終更新日2013-07-24
実験手法X-RAY DIFFRACTION (1.392 Å)
主引用文献Structural insight into how Pseudomonas aeruginosa peptidoglycanhydrolase Tse1 and its immunity protein Tsi1 function.
Biochem.J., 448, 2012
7KPF
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BU of 7kpf by Molmil
NME2 bound to myristoyl-CoA
分子名称: GLYCEROL, MAGNESIUM ION, Nucleoside diphosphate kinase B, ...
著者Price, I.R, Lin, H.
登録日2020-11-11
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献A Chemical Proteomic Approach reveals the regulation of NME1/2 and cancer metastasis by Long-Chain Fatty Acyl Coenzyme A
To Be Published
5YTE
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BU of 5yte by Molmil
Large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with with natural dT:dATP base pair
分子名称: 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'), ...
著者Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q.
登録日2017-11-17
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry.
Angew. Chem. Int. Ed. Engl., 58, 2019
5YTD
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BU of 5ytd by Molmil
large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with the natural base pair 5fC:dGTP
分子名称: 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'), ...
著者Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q.
登録日2017-11-17
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry.
Angew. Chem. Int. Ed. Engl., 58, 2019
5YTC
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BU of 5ytc by Molmil
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
分子名称: 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'), ...
著者Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Yi, C.Q.
登録日2017-11-17
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry.
Angew. Chem. Int. Ed. Engl., 58, 2019
5YTF
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BU of 5ytf by Molmil
Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base M-fC pair with dA
分子名称: 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'), ...
著者Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q.
登録日2017-11-17
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry.
Angew. Chem. Int. Ed. Engl., 58, 2019
5YTG
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BU of 5ytg by Molmil
Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base I-fC pair with dA
分子名称: 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'), ...
著者Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q.
登録日2017-11-17
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry.
Angew. Chem. Int. Ed. Engl., 58, 2019
5YTH
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BU of 5yth by Molmil
Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base M-fC pair with dG
分子名称: 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'), ...
著者Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q.
登録日2017-11-17
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry.
Angew. Chem. Int. Ed. Engl., 58, 2019
5Z3N
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BU of 5z3n by Molmil
Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base 5fC pair with dA
分子名称: 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'), ...
著者Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q.
登録日2018-01-08
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry.
Angew. Chem. Int. Ed. Engl., 58, 2019
3TJH
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BU of 3tjh by Molmil
42F3-p3A1/H2-Ld complex
分子名称: 42F3 alpha, 42F3 beta, H2-Ld SBM2, ...
著者Adams, J.J, Kruse, A, Kranz, D.M, Garcia, K.C.
登録日2011-08-24
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex.
Immunity, 35, 2011
3TPU
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BU of 3tpu by Molmil
42F3 p5E8/H2-Ld complex
分子名称: 1,2-ETHANEDIOL, 42F3 alpha, 42F3 beta, ...
著者Adams, J.J, Kranz, D.M, Garcia, K.C.
登録日2011-09-08
公開日2011-12-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex.
Immunity, 35, 2011
3TFK
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BU of 3tfk by Molmil
42F3-p4B10/H2-Ld
分子名称: 42F3 alpha, 42F3 beta, H2-Ld SBM2, ...
著者Adams, J.J, Kranz, D.M, Garcia, K.C.
登録日2011-08-15
公開日2011-12-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.753 Å)
主引用文献T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex.
Immunity, 35, 2011
3TF7
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BU of 3tf7 by Molmil
42F3 QL9/H2-Ld complex
分子名称: 42F3 Mut7 scFv (42F3 alpha chain, linker, 42F3 beta chain), ...
著者Adams, J.J, Kranz, D.M, Garcia, K.C.
登録日2011-08-15
公開日2011-12-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex.
Immunity, 35, 2011
8GU4
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BU of 8gu4 by Molmil
Poly(ethylene terephthalate) hydrolase (IsPETase)-linker
分子名称: Poly(ethylene terephthalate) hydrolase
著者Xiao, Y.J, Wang, Z.F.
登録日2022-09-09
公開日2022-11-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Biodegradation of highly crystallized poly(ethylene terephthalate) through cell surface codisplay of bacterial PETase and hydrophobin.
Nat Commun, 13, 2022
8GU5
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BU of 8gu5 by Molmil
Wild type poly(ethylene terephthalate) hydrolase
分子名称: Poly(ethylene terephthalate) hydrolase
著者Xiao, Y.J, Wang, Z.F.
登録日2022-09-09
公開日2022-11-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Biodegradation of highly crystallized poly(ethylene terephthalate) through cell surface codisplay of bacterial PETase and hydrophobin.
Nat Commun, 13, 2022
8XEW
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BU of 8xew by Molmil
Cryo-EM structure of defence-associatedsirtuin 2 (DSR2) H171A protein
分子名称: DSR2 H171A
著者Li, Y, Zhang, H, Zheng, Q, Wu, Y, Li, S.
登録日2023-12-13
公開日2024-10-23
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Structural insights into activation mechanisms on NADase of the bacterial DSR2 anti-phage defense system.
Sci Adv, 10, 2024
8XFF
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BU of 8xff by Molmil
Cryo-EM structure of defence-associatedsirtuin 2 (DSR2) H171A protein in complex with SPR phage tail tube protein
分子名称: DSR2(H171A), SPR tail tube protein
著者Li, Y, Zhang, H, Zheng, Q, Wu, Y, Li, S.
登録日2023-12-13
公開日2024-10-23
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Structural insights into activation mechanisms on NADase of the bacterial DSR2 anti-phage defense system.
Sci Adv, 10, 2024
8XFE
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BU of 8xfe by Molmil
Cryo-EM structure of defence-associated sirtuin 2 (DSR2) H171A protein in complex with DSR anti-defence 1(DSAD1)
分子名称: DSAD1, DSR2(H171A)
著者Li, Y, Zhang, H, Zheng, Q, Wu, Y, Li, S.
登録日2023-12-13
公開日2024-10-23
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structural insights into activation mechanisms on NADase of the bacterial DSR2 anti-phage defense system.
Sci Adv, 10, 2024
5YZ3
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BU of 5yz3 by Molmil
Crystal structure of T2R-TTL-28 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Yu, Y, Chen, Q.
登録日2017-12-12
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献A Novel Microtubule Inhibitor Overcomes Multidrug Resistance in Tumors.
Cancer Res., 78, 2018
8HET
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BU of 8het by Molmil
Crystal structure of CTSL in complex with E64d
分子名称: Procathepsin L, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
著者Wang, H, Shao, M, Sun, L, Yang, H.
登録日2022-11-08
公開日2023-12-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HEI
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BU of 8hei by Molmil
Crystal structure of CTSB in complex with E64d
分子名称: Cathepsin B, GLYCEROL, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
著者Wang, H, Li, D, Sun, L, Yang, H.
登録日2022-11-08
公開日2023-12-13
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HD8
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BU of 8hd8 by Molmil
Crystal structure of TMPRSS2 in complex with 212-148
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ...
著者Wang, H, Liu, X, Sun, L, Yang, H.
登録日2022-11-03
公開日2023-12-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HEN
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BU of 8hen by Molmil
Crystal structure of CTSB in complex with 212-148
分子名称: 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate, Cathepsin B, DIMETHYL SULFOXIDE, ...
著者Wang, H, Li, D, Sun, L, Yang, H.
登録日2022-11-08
公開日2023-12-13
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023

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