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5GVT
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BU of 5gvt by Molmil
Crystal structures of the serine protease domain of murine plasma kallikrein
分子名称: Plasma kallikrein, alpha-D-mannopyranose, beta-D-mannopyranose
著者Xu, M, Jiang, L, Huang, M.
登録日2016-09-06
公開日2017-11-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal Structures of the Serine Protease Domain of Murine Plasma Kallikrein
Chin.J.Struct.Chem., 36, 2017
7VTC
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BU of 7vtc by Molmil
Crystal structure of MERS main protease in complex with PF07321332
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Lin, C, Zhong, F.L, Zhou, X.L, Zhang, J, Li, J.
登録日2021-10-28
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.53865623 Å)
主引用文献Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7VLQ
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BU of 7vlq by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P212121
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Zhou, X.L, Zhong, F.L, Lin, C, Zhang, J, Li, J.
登録日2021-10-05
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.939106 Å)
主引用文献Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7VLO
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BU of 7vlo by Molmil
Crystal structure of SARS coronavirus main protease in complex with PF07321332
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J.
登録日2021-10-05
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.0227 Å)
主引用文献Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7VLP
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BU of 7vlp by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P1211
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, Replicase polyprotein 1a
著者Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J.
登録日2021-10-05
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.50251937 Å)
主引用文献Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
5ZZ3
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BU of 5zz3 by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3
分子名称: Butyrophilin, subfamily 3, member A3 isoform b variant
著者Yang, Y.Y, Li, X, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-05-30
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
8HCI
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BU of 8hci by Molmil
Crystal structure of a holoenzyme Fe-free TglHI for Pseudomonas syringae Peptidyl (S) 2-mercaptoglycine biosynthesis
分子名称: DUF692 family protein, RiPP Recognition protein
著者Cheng, W, Zheng, Y.H, Fu, X.L.
登録日2022-11-01
公開日2023-08-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.399 Å)
主引用文献Structures of the holoenzyme TglHI required for 3-thiaglutamate biosynthesis.
Structure, 31, 2023
5IPE
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BU of 5ipe by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) nucleoside thiophosphoramidate catalytic product complex
分子名称: 1,2-ETHANEDIOL, 5'-S-phosphono-5'-thioguanosine, CHLORIDE ION, ...
著者Maize, K.M, Finzel, B.C.
登録日2016-03-09
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
5IPB
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BU of 5ipb by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant
分子名称: CHLORIDE ION, Histidine triad nucleotide-binding protein 1
著者Maize, K.M, Finzel, B.C.
登録日2016-03-09
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
5IPC
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BU of 5ipc by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside thiophosphoramidate substrate complex
分子名称: 1,2-ETHANEDIOL, 5'-S-[(S)-hydroxy{[2-(1H-indol-3-yl)ethyl]amino}phosphoryl]-5'-thioguanosine, CHLORIDE ION, ...
著者Maize, K.M, Finzel, B.C.
登録日2016-03-09
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
5IPD
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BU of 5ipd by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) nucleoside thiophosphoramidate covalent intermediate complex
分子名称: 5'-S-phosphono-5'-thioguanosine, Histidine triad nucleotide-binding protein 1
著者Maize, K.M, Finzel, B.C.
登録日2016-03-09
公開日2017-03-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
8HUR
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BU of 8hur by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with S217622
分子名称: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Zhou, X.L, Zhang, J, Li, J.
登録日2022-12-24
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8HI8
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BU of 8hi8 by Molmil
Crystal structure of a holoenzyme TglHI with three Fe ions for Pseudomonas syringae Peptidyl (S) 2-mercaptoglycine biosynthesis
分子名称: DUF692 family protein, FE (III) ION, RiPP Recognition Protein
著者Cheng, W, Zheng, Y.H, Fu, X.L.
登録日2022-11-18
公開日2023-08-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献Structures of the holoenzyme TglHI required for 3-thiaglutamate biosynthesis.
Structure, 31, 2023
8HI7
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BU of 8hi7 by Molmil
Crystal structure of a holoenzyme TglHI with two Fe irons for Pseudomonas syringae Peptidyl (S) 2-mercaptoglycine biosynthesis
分子名称: DUF692 family protein, FE (III) ION, RiPP Recognition protein
著者Cheng, W, Zheng, Y.H, Fu, X.L.
登録日2022-11-18
公開日2023-08-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structures of the holoenzyme TglHI required for 3-thiaglutamate biosynthesis.
Structure, 31, 2023
5JK7
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BU of 5jk7 by Molmil
The X-ray structure of the DDB1-DCAF1-Vpr-UNG2 complex
分子名称: DNA damage-binding protein 1, Protein VPRBP, Protein Vpr, ...
著者Calero, G, Ahn, J, Wu, Y.
登録日2016-04-26
公開日2016-10-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献The DDB1-DCAF1-Vpr-UNG2 crystal structure reveals how HIV-1 Vpr steers human UNG2 toward destruction.
Nat.Struct.Mol.Biol., 23, 2016
7BOK
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BU of 7bok by Molmil
Cryo-EM structure of the encapsulated DyP-type peroxidase from Mycobacterium smegmatis
分子名称: Dyp-type peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Tang, Y.T, Mu, A, Gong, H.R, Wang, Q, Rao, Z.H.
登録日2020-03-19
公開日2021-03-24
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structure of Mycobacterium smegmatis DyP-loaded encapsulin.
Proc.Natl.Acad.Sci.USA, 118, 2021
7BOJ
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BU of 7boj by Molmil
Cryo-EM structure of the encapsulin shell from Mycobacterium smegmatis
分子名称: 29 kDa antigen Cfp29
著者Tang, Y.T, Mu, A, Gong, H.R, Wang, Q, Rao, Z.H.
登録日2020-03-19
公開日2021-03-24
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Cryo-EM structure of Mycobacterium smegmatis DyP-loaded encapsulin.
Proc.Natl.Acad.Sci.USA, 118, 2021
6JIQ
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BU of 6jiq by Molmil
Crystal structure of Streptococcus pneumoniae SP_0782 (residues 7-79) in complex with single-stranded DNA dT6
分子名称: DNA (5'-D(*TP*TP*TP*TP*T)-3'), SP_0782
著者Fang, X, Lu, G, Li, S, Zhu, J, Yang, Y, Gong, P.
登録日2019-02-22
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural insight into the length-dependent binding of ssDNA by SP_0782 from Streptococcus pneumoniae, reveals a divergence in the DNA-binding interface of PC4-like proteins.
Nucleic Acids Res., 48, 2020
6JIP
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BU of 6jip by Molmil
Crystal structure of Streptococcus pneumoniae SP_0782 (residues 7-79) in complex with single-stranded DNA dT6
分子名称: DNA (5'-D(*TP*TP*TP*TP*T)-3'), PENTAETHYLENE GLYCOL, SP_0782
著者Fang, X, Lu, G, Li, S, Zhu, J, Yang, Y, Gong, P.
登録日2019-02-22
公開日2019-11-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.659 Å)
主引用文献Structural insight into the length-dependent binding of ssDNA by SP_0782 from Streptococcus pneumoniae, reveals a divergence in the DNA-binding interface of PC4-like proteins.
Nucleic Acids Res., 48, 2020
8W4U
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BU of 8w4u by Molmil
human KCNQ2-CaM in complex with PIP2 and HN37
分子名称: Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ...
著者Ma, D, Li, X, Guo, J.
登録日2023-08-25
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
5ZXK
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BU of 5zxk by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1
著者Yang, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-05-21
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
5ZKM
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BU of 5zkm by Molmil
Crystal structure of Streptococcus pneumoniae SP_0782 (residues 7-79) in complex with single-stranded DNA TCTTCC
分子名称: DNA (5'-D(P*TP*CP*TP*TP*CP*C)-3'), SP_0782
著者Lu, G, Li, S, Zhu, J, Yang, Y, Gong, P.
登録日2018-03-24
公開日2019-03-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural insight into the length-dependent binding of ssDNA by SP_0782 from Streptococcus pneumoniae, reveals a divergence in the DNA-binding interface of PC4-like proteins.
Nucleic Acids Res., 48, 2020
5ZKL
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BU of 5zkl by Molmil
Crystal structure of Streptococcus pneumoniae SP_0782 (residues 7-79) in complex with single-stranded DNA dT12
分子名称: DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), SP_0782
著者Lu, G, Li, S, Zhu, J, Yang, Y, Gong, P.
登録日2018-03-24
公開日2019-03-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Structural insight into the length-dependent binding of ssDNA by SP_0782 from Streptococcus pneumoniae, reveals a divergence in the DNA-binding interface of PC4-like proteins.
Nucleic Acids Res., 48, 2020
7CMU
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BU of 7cmu by Molmil
Dopamine Receptor D3R-Gi-Pramipexole complex
分子名称: (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Xu, P, Huang, S, Mao, C, Krumm, B, Zhou, X, Tan, Y, Huang, X.-P, Liu, Y, Shen, D.-D, Jiang, Y, Yu, X, Jiang, H, Melcher, K, Roth, B, Cheng, X, Zhang, Y, Xu, H.
登録日2020-07-29
公開日2021-03-10
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures of the human dopamine D3 receptor-G i complexes.
Mol.Cell, 81, 2021
7CMV
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BU of 7cmv by Molmil
Dopamine Receptor D3R-Gi-PD128907 complex
分子名称: (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Xu, P, Huang, S, Mao, C, Krumm, B, Zhou, X, Tan, Y, Huang, X.-P, Liu, Y, Shen, D.-D, Jiang, Y, Yu, X, Jiang, H, Melcher, K, Roth, B, Cheng, X, Zhang, Y, Xu, H.
登録日2020-07-29
公開日2021-03-10
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structures of the human dopamine D3 receptor-G i complexes.
Mol.Cell, 81, 2021

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