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7DP3
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BU of 7dp3 by Molmil
Human MCM8 N-terminal domain
分子名称: DNA helicase MCM8, ZINC ION
著者Li, J, Liu, L, Liu, Y.
登録日2020-12-17
公開日2021-05-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural study of the N-terminal domain of human MCM8/9 complex.
Structure, 29, 2021
4MRO
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BU of 4mro by Molmil
Human GKRP bound to AMG-5980 and S6P
分子名称: 2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
著者St Jean, D.J, Ashton, K.S, Bartberger, M.D, Chen, J, Chmait, S, Cupples, R, Galbreath, E, Helmering, J, Jordan, S.R, Liu, L, Kunz, K, Michelsen, K, Nishimura, N, Pennington, L.D, Poon, S.F, Sivits, G, Stec, M.M, Tamayo, N, Van, G, Yang, K, Norman, M.H, Fotsch, C, LLoyd, D.J, Hale, C.
登録日2013-09-17
公開日2014-05-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles.
J.Med.Chem., 57, 2014
7DPD
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BU of 7dpd by Molmil
Human MCM9 N-terminal domain
分子名称: DNA helicase MCM9, SODIUM ION, ZINC ION
著者Li, J, Liu, L, Liu, Y.
登録日2020-12-18
公開日2021-05-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural study of the N-terminal domain of human MCM8/9 complex.
Structure, 29, 2021
4N7R
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BU of 4n7r by Molmil
Crystal structure of Arabidopsis glutamyl-tRNA reductase in complex with its binding protein
分子名称: Genomic DNA, chromosome 3, P1 clone: MXL8, ...
著者Zhao, A, Fang, Y, Lin, Y, Gong, W, Liu, L.
登録日2013-10-16
公開日2014-05-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Crystal structure of Arabidopsis glutamyl-tRNA reductase in complex with its stimulator protein
Proc.Natl.Acad.Sci.USA, 111, 2014
5ZTE
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BU of 5zte by Molmil
Crystal structure of PrxA C119S mutant from Arabidopsis thaliana
分子名称: 2-Cys peroxiredoxin BAS1, chloroplastic
著者Yang, Y, Cai, W, Wang, J, Pan, W, Liu, L, Wang, M, Zhang, M.
登録日2018-05-03
公開日2018-10-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of Arabidopsis thaliana peroxiredoxin A C119S mutant.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6L8D
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Hexameric structure of the ATPase subunit of magnesium chelatase
分子名称: Magnesium-chelatase subunit ChlI
著者Gao, Y, Liu, L.
登録日2019-11-05
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Hexameric structure of the ATPase motor subunit of magnesium chelatase in chlorophyll biosynthesis.
Protein Sci., 29, 2020
6L8I
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BU of 6l8i by Molmil
Crystal structure of CYP97A3 mutant S290D/W300L/S304V
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Protein LUTEIN DEFICIENT 5, chloroplastic
著者Niu, G, Guo, Q, Liu, L.
登録日2019-11-06
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for plant lutein biosynthesis from alpha-carotene.
Proc.Natl.Acad.Sci.USA, 117, 2020
6L8H
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Crystal structure of CYP97C1
分子名称: Carotene epsilon-monooxygenase, chloroplastic, GLYCEROL, ...
著者Niu, G, Guo, Q, Liu, L.
登録日2019-11-06
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for plant lutein biosynthesis from alpha-carotene.
Proc.Natl.Acad.Sci.USA, 117, 2020
6L1H
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Crystal structure of light-dependent protochlorophyllide oxidoreductase from Thermosynechococcus elongatus
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-protochlorophyllide oxidoreductase
著者Dong, C, Wang, X, Liu, L.
登録日2019-09-29
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.409 Å)
主引用文献Crystal structures of cyanobacterial light-dependent protochlorophyllide oxidoreductase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KZF
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Racemic X-ray Structure of Calcicludine
分子名称: D-calcicludine, Kunitz-type serine protease inhibitor homolog calcicludine
著者Qu, Q, Gao, S, Liu, L.
登録日2019-09-24
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Synthesis of Disulfide Surrogate Peptides Incorporating Large-Span Surrogate Bridges Through a Native-Chemical-Ligation-Assisted Diaminodiacid Strategy
Angew.Chem.Int.Ed.Engl., 59, 2020
6L8J
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Crystal structure of CYP97A3 mutant S290D/W300L/S304V in complex with retinal
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Protein LUTEIN DEFICIENT 5, chloroplastic, ...
著者Niu, G, Guo, Q, Liu, L.
登録日2019-11-06
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Structural basis for plant lutein biosynthesis from alpha-carotene.
Proc.Natl.Acad.Sci.USA, 117, 2020
6L1G
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Crystal structure of light-dependent protochlorophyllide oxidoreductase from Synechocystis sp. PCC 6803
分子名称: Light-dependent protochlorophyllide reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
著者Dong, C, Wang, X, Liu, L.
登録日2019-09-29
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of cyanobacterial light-dependent protochlorophyllide oxidoreductase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ANF
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BU of 6anf by Molmil
Design of a short thermo-stable alpha-helix embedded in a macrocycle
分子名称: 3,3'-dimethyl-1,1'-biphenyl, Capped-strapped peptide
著者Wu, H, Acharyya, A, Wu, Y, Liu, L, Jo, H, Gai, F, DeGrado, W.F.
登録日2017-08-13
公開日2018-02-21
最終更新日2024-11-13
実験手法SOLUTION NMR
主引用文献Design of a Short Thermally Stable alpha-Helix Embedded in a Macrocycle.
Chembiochem, 19, 2018
6MCT
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BU of 6mct by Molmil
A designed pentameric membrane protein stabilized by van der Waals interaction
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SULFATE ION, mini-eVgL membrane protein
著者Mravic, M, Liu, L, Degrado, W.F.
登録日2018-09-02
公開日2019-04-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
6M09
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The ligand-free structure of the chloroplast protein At3g03890
分子名称: AT3G03890 protein
著者Wang, J, Liu, L.
登録日2020-02-20
公開日2020-12-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献The Arabidopsis locus AT3G03890 encodes a dimeric beta-barrel protein implicated in heme degradation.
Biochem.J., 2020
6MQ2
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BU of 6mq2 by Molmil
De Novo Design of membrane protein--mini-eVgL membrane protein, C2221 form-2
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, mini-eVgL membrane protein
著者Mravic, M, Liu, L, Degrado, W.F.
登録日2018-10-09
公開日2019-04-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
6MPW
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BU of 6mpw by Molmil
De Novo Design of membrane protein--mini-eVgL membrane protein, C2221 form-1
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, mini-eVgL membrane protein
著者Mravic, M, Liu, L, DeGrado, W.F.
登録日2018-10-08
公開日2019-04-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
6M0A
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BU of 6m0a by Molmil
The heme-bound structure of the chloroplast protein At3g03890
分子名称: AT3G03890 protein, AZIDE ION, PROTOPORPHYRIN IX CONTAINING FE
著者Wang, J, Liu, L.
登録日2020-02-20
公開日2020-12-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Arabidopsis locus AT3G03890 encodes a dimeric beta-barrel protein implicated in heme degradation.
Biochem.J., 2020
6BTA
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BU of 6bta by Molmil
CypA Mutant - S99T C115S
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Fraser, J.S, Kenner, L.R, Liu, L.
登録日2017-12-06
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rescue of conformational dynamics in enzyme catalysis by directed evolution.
Nat Commun, 9, 2018
9BTS
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BU of 9bts by Molmil
Crystal structure of the bacterioferritin (Bfr) and ferritin (Ftn) heterooligomer complex from Acinetobacter baumannii
分子名称: Bacterioferritin (Bfr), Ferritin (Ftn), PROTOPORPHYRIN IX CONTAINING FE, ...
著者Lovell, S, Liu, L, Battaile, K.P, Rivera, M.
登録日2024-05-15
公開日2024-08-14
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The crystal structure of Acinetobacter baumannii bacterioferritin reveals a heteropolymer of bacterioferritin and ferritin subunits.
Sci Rep, 14, 2024
6B17
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Design of a short thermally stable alpha-helix embedded in a macrocycle
分子名称: 3,3'-dimethyl-1,1'-biphenyl, Capped-strapped peptide
著者Wu, H, Acharyya, A, Wu, Y, Liu, L, Jo, H, Gai, F, DeGrado, W.F.
登録日2017-09-17
公開日2018-02-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Design of a Short Thermally Stable alpha-Helix Embedded in a Macrocycle.
Chembiochem, 19, 2018
6NV1
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Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor
分子名称: (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, ...
著者Thomaston, J.L, Liu, L, DeGrado, W.F.
登録日2019-02-04
公開日2020-01-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Biochemistry, 59, 2020
7TQ7
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Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 13c
分子名称: N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide, Orf1a protein, TETRAETHYLENE GLYCOL
著者Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2022-01-26
公開日2022-02-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
7TQ6
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Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 13d
分子名称: (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase, ...
著者Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2022-01-26
公開日2022-02-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
7TQ5
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Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 10d
分子名称: (1R,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ...
著者Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2022-01-26
公開日2022-02-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023

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