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6IPZ
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BU of 6ipz by Molmil
Fyn SH3 domain R96W mutant, crystallized with 18-crown-6
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Tyrosine-protein kinase Fyn
著者Arold, S.T, Aljedani, S.S, Shahul Hameed, U.F.
登録日2018-11-05
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.576 Å)
主引用文献Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
8W88
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BU of 8w88 by Molmil
Cryo-EM structure of the SEP363856-bound TAAR1-Gs complex
分子名称: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
登録日2023-09-01
公開日2023-11-22
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8W8B
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BU of 8w8b by Molmil
Cryo-EM structure of SEP-363856 bounded serotonin 1A (5-HT1A) receptor-Gi protein complex
分子名称: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Antibody fragment scFv16, CHOLESTEROL, ...
著者Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
登録日2023-09-01
公開日2023-11-22
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8W87
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BU of 8w87 by Molmil
Cryo-EM structure of the METH-TAAR1 complex
分子名称: (2S)-N-methyl-1-phenylpropan-2-amine, 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Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
登録日2023-09-01
公開日2023-11-22
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8W8A
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BU of 8w8a by Molmil
Cryo-EM structure of the RO5256390-TAAR1 complex
分子名称: (4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-imine, 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Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
登録日2023-09-01
公開日2023-11-22
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8W89
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BU of 8w89 by Molmil
Cryo-EM structure of the PEA-bound TAAR1-Gs complex
分子名称: 2-PHENYLETHYLAMINE, 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Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
登録日2023-09-01
公開日2023-11-22
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
5MQY
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CATHEPSIN L IN COMPLEX WITH 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile
分子名称: 1,2-ETHANEDIOL, 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile, Cathepsin L1
著者Kuglstatter, A, Stihle, M, Benz, J.
登録日2016-12-21
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Prospective Evaluation of Free Energy Calculations for the Prioritization of Cathepsin L Inhibitors.
J. Med. Chem., 60, 2017
7DQ9
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BU of 7dq9 by Molmil
Crystal structure of a type-A feruloyl esterase from gut Alistipes shahii
分子名称: Predicted hydrolases or acyltransferases (Alpha/beta hydrolase superfamily)
著者Wei, X, Gu, T.Y, Xin, F.J, Wang, Y.L.
登録日2020-12-22
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献The alpha-Helical Cap Domain of a Novel Esterase from Gut Alistipes shahii Shaping the Substrate-Binding Pocket.
J.Agric.Food Chem., 69, 2021
8K4U
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BU of 8k4u by Molmil
Structure of BtKY72 spike receptor-binding domain (RBD) complexed with bat ACE2
分子名称: ACE2, BtKY72, ZINC ION
著者Su, C, Qi, J.X, Gao, G.F.
登録日2023-07-20
公開日2024-06-19
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural characteristics of BtKY72 RBD bound to bat ACE2 reveal multiple key residues affecting ACE2 usage of sarbecoviruses.
Mbio, 15, 2024
8H5T
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BU of 8h5t by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-015
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb-015, Spike protein S1
著者Yang, J, Lin, S, Lu, G.W.
登録日2022-10-13
公開日2023-10-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of a bispecific nanobody conjugate broadly neutralizes diverse SARS-CoV-2 variants and structural basis for its broad neutralization.
Plos Pathog., 19, 2023
7B3N
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BU of 7b3n by Molmil
AmiP amidase-3 from Thermus parvatiensis
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Cell wall hydrolase, ...
著者Freitag-Pohl, S, Pohl, E.
登録日2020-12-01
公開日2022-06-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.793 Å)
主引用文献AmiP from hyperthermophilic Thermus parvatiensis prophage is a thermoactive and ultrathermostable peptidoglycan lytic amidase.
Protein Sci., 32, 2023
3RER
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BU of 3rer by Molmil
Crystal structure of E. coli Hfq in complex with AU6A RNA and ADP
分子名称: 5'-R(*AP*UP*UP*UP*UP*UP*UP*A)-3', ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Wang, W.W, Wu, J.H, Shi, Y.Y.
登録日2011-04-05
公開日2011-10-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cooperation of Escherichia coli Hfq hexamers in DsrA binding.
Genes Dev., 25, 2011
7BW1
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BU of 7bw1 by Molmil
Crystal structure of Steroid 5-alpha-reductase 2 in complex with Finasteride
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-oxo-5-alpha-steroid 4-dehydrogenase 2, SULFATE ION, ...
著者Xiao, Q, Zhang, C, Wei, Z.
登録日2020-04-13
公開日2020-08-05
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of human steroid 5 alpha-reductase 2 with anti-androgen drug finasteride.
Res Sq, 2020
5ZHG
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BU of 5zhg by Molmil
Human group C rotavirus VP8*s recognize type A histo-blood group antigens as ligands
分子名称: Outer capsid protein VP8*
著者Sun, X, Duan, Z.
登録日2018-03-13
公開日2018-04-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Human Group C Rotavirus VP8*s Recognize Type A Histo-Blood Group Antigens as Ligands.
J. Virol., 92, 2018
5KWW
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BU of 5kww by Molmil
Crystal Structure of Inhibitor JNJ-53718678 In Complex with Prefusion RSV F Glycoprotein
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one, ...
著者McLellan, J.S, Battles, M.B, Arnoult, E, Roymans, D, Langedijk, J.P.
登録日2016-07-19
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Therapeutic efficacy of a respiratory syncytial virus fusion inhibitor.
Nat Commun, 8, 2017
5ZHO
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BU of 5zho by Molmil
Human group C rotavirus VP8*s recognize type A histo-blood group antigens as ligands
分子名称: Outer capsid protein VP8*, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose
著者Sun, X, Duan, Z, Qi, J.
登録日2018-03-13
公開日2018-04-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Human Group C Rotavirus VP8*s Recognize Type A Histo-Blood Group Antigens as Ligands.
J. Virol., 92, 2018
6BPL
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BU of 6bpl by Molmil
E. coli MsbA in complex with LPS and inhibitor G907
分子名称: (2E)-3-{6-[(1S)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-amino-2-deoxy-alpha-D-glucopyranose, ...
著者Ho, H, Koth, C.M, Payandeh, J.
登録日2017-11-23
公開日2018-05-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.908 Å)
主引用文献Structural basis for dual-mode inhibition of the ABC transporter MsbA.
Nature, 557, 2018
8HR2
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BU of 8hr2 by Molmil
Ternary Crystal Complex Structure of RBD with NB1B5 and NB1C6
分子名称: NB1B5, NB1C6, Spike protein S1
著者Sun, Z.
登録日2022-12-14
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structure basis of two nanobodies neutralizing SARS-CoV-2 Omicron variant by targeting ultra-conservative epitopes.
J.Struct.Biol., 215, 2023
5MOM
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BU of 5mom by Molmil
Crystal Structure of PCNA encoding the hypomorphic mutation S228I
分子名称: Proliferating cell nuclear antigen
著者Biasutto, A.J, Mancini, E.J, Green, C.M, Wilson, R.H.C.
登録日2016-12-14
公開日2017-01-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献PCNA dependent cellular activities tolerate dramatic perturbations in PCNA client interactions.
DNA Repair (Amst.), 50, 2017
3RES
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BU of 3res by Molmil
Crystal structure of E coli Hfq in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Protein hfq
著者Wang, W.W, Wu, J.H, Shi, Y.Y.
登録日2011-04-05
公開日2011-10-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cooperation of Escherichia coli Hfq hexamers in DsrA binding.
Genes Dev., 25, 2011
8GYB
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BU of 8gyb by Molmil
Crystal structure of Alongshan virus methyltransferase bound to S-adenosyl-L-homocysteine
分子名称: Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Chen, H, Lin, S, Lu, G.W.
登録日2022-09-22
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structural and functional basis of low-affinity SAM/SAH-binding in the conserved MTase of the multi-segmented Alongshan virus distantly related to canonical unsegmented flaviviruses.
Plos Pathog., 19, 2023
8GYA
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BU of 8gya by Molmil
Crystal structure of Alongshan virus methyltransferase bound to Sinefungin
分子名称: Methyltransferase, SINEFUNGIN
著者Chen, H, Lin, S, Lu, G.W.
登録日2022-09-21
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献Structural and functional basis of low-affinity SAM/SAH-binding in the conserved MTase of the multi-segmented Alongshan virus distantly related to canonical unsegmented flaviviruses.
Plos Pathog., 19, 2023
8GY4
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Crystal structure of Alongshan virus methyltransferase
分子名称: Methyltransferase
著者Chen, H, Lin, S, Lu, G.W.
登録日2022-09-21
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and functional basis of low-affinity SAM/SAH-binding in the conserved MTase of the multi-segmented Alongshan virus distantly related to canonical unsegmented flaviviruses.
Plos Pathog., 19, 2023
8GY9
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Crystal structure of Alongshan virus methyltransferase bound to S-adenosyl-L-methionine
分子名称: Methyltransferase, S-ADENOSYLMETHIONINE
著者Chen, H, Lin, S, Lu, G.W.
登録日2022-09-21
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and functional basis of low-affinity SAM/SAH-binding in the conserved MTase of the multi-segmented Alongshan virus distantly related to canonical unsegmented flaviviruses.
Plos Pathog., 19, 2023
8H5U
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BU of 8h5u by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-021
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb-021, ...
著者Yang, J, Lin, S, Lu, G.W.
登録日2022-10-13
公開日2023-10-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Development of a bispecific nanobody conjugate broadly neutralizes diverse SARS-CoV-2 variants and structural basis for its broad neutralization.
Plos Pathog., 19, 2023

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