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7VU4
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BU of 7vu4 by Molmil
de novo design based on 1r26
分子名称: de novo design protein
著者Zhang, L.
登録日2021-11-01
公開日2022-06-08
最終更新日2023-06-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
7VQL
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BU of 7vql by Molmil
de novo designed based on 1r26
分子名称: AMMONIUM ION, GLYCEROL, de novo designed protein
著者Zhang, L.
登録日2021-10-20
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
7VQW
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BU of 7vqw by Molmil
de novo designed protein based on 1r26
分子名称: de novo designed protein
著者Zhang, L.
登録日2021-10-20
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
4XO1
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BU of 4xo1 by Molmil
crystal structure of Se-Met GnsA with double mutations
分子名称: Protein GnsA
著者Zhan, L, Gao, Z, Dong, Y.
登録日2015-01-16
公開日2015-07-29
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Crystal structure of GnsA from Escherichia coli
Biochem.Biophys.Res.Commun., 462, 2015
9C49
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BU of 9c49 by Molmil
Cryo-EM structure of Danio rerio voltage-sensing phosphatase (VSP) phosphatase domain
分子名称: Phosphatidylinositol-3,4,5-trisphosphate 3-phosphatase TPTE2
著者Zhang, L, Brohawn, S.G.
登録日2024-06-03
公開日2024-07-10
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Coupling sensor to enzyme in the voltage sensing phosphatase
To Be Published
6G7M
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BU of 6g7m by Molmil
Four-site variant (Y222C, C197S, C432S, C433S) of E. coli hydrogenase-2
分子名称: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2 large chain, ...
著者Carr, S.B, Armstrong, F.A, Zhang, L, Beaton, S.E.
登録日2018-04-06
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Direct visible light activation of a surface cysteine-engineered [NiFe]-hydrogenase by silver nanoclusters
Energy Environ Sci, 2019
7OQ6
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BU of 7oq6 by Molmil
Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION
著者Zhang, L, Zhang, S, Bechthold, A, Einsle, O.
登録日2021-06-02
公開日2022-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate.
Acta Pharm Sin B, 13, 2023
7BVH
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BU of 7bvh by Molmil
Crystal structure of arabinosyltransferase EmbC2-AcpM2 complex from Mycobacterium smegmatis complexed with di-arabinose
分子名称: CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, Meromycolate extension acyl carrier protein, ...
著者Zhao, Y, Zhang, L, Wu, L.J, Wang, Q, Li, J, Besra, G.S, Rao, Z.H.
登録日2020-04-10
公開日2020-04-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7V2S
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BU of 7v2s by Molmil
Crystal structure of juvenile hormone acid methyltransferase JHAMT isoform3 from silkworm
分子名称: Methyltranfer_dom domain-containing protein
著者Guo, P.C, Zhang, Y.S, Zhang, l, Xu, H.Y.
登録日2021-08-09
公開日2022-08-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.133 Å)
主引用文献Structural characterization and functional analysis of juvenile hormone acid methyltransferase JHAMT3 from the silkworm, Bombyx mori.
Insect Biochem.Mol.Biol., 151, 2022
7QUW
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BU of 7quw by Molmil
CVB3-3Cpro in complex with inhibitor MG-78
分子名称: (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, Protease 3C
著者Zhang, L, Hilgenfeld, R.
登録日2022-01-19
公開日2022-03-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
6N45
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BU of 6n45 by Molmil
Crystal structure of the cryptic polo box domain of human activated Plk4 variant 1
分子名称: Chimera protein of Serine/threonine-protein kinase PLK4 and DDB1- and CUL4-associated factor 1
著者Zhang, L, Park, J.-E, Meng, L, Lee, K.S.
登録日2018-11-17
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Phase separation of Polo-like kinase 4 by autoactivation and clustering drives centriole biogenesis.
Nat Commun, 10, 2019
5YVF
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BU of 5yvf by Molmil
Crystal structure of BFA1
分子名称: BFA1
著者Pu, H, Zhang, L, Duan, Z.K, Peng, L.W, Liu, L.
登録日2017-11-25
公開日2018-08-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Nucleus-Encoded Protein BFA1 Promotes Efficient Assembly of the Chloroplast ATP Synthase Coupling Factor 1.
Plant Cell, 30, 2018
6RP2
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BU of 6rp2 by Molmil
Threonine to Cysteine (T225C) variant of E coli hydrogenase-1
分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
著者Carr, S.B, Armstrong, F.A, Zhang, L.
登録日2019-05-13
公開日2020-03-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Aerobic Photocatalytic H2Production by a [NiFe] Hydrogenase Engineered to Place a Silver Nanocluster in the Electron Relay.
J.Am.Chem.Soc., 142, 2020
5N19
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BU of 5n19 by Molmil
Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide
分子名称: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, DIMETHYL SULFOXIDE, SARS coronavirus main protease
著者Zhang, L, Ma, Q, Hilgenfeld, R.
登録日2017-02-05
公開日2018-02-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
5N5O
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BU of 5n5o by Molmil
Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-cyclopropylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (Cinnamoyl-cyclopropylalanine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-~{N}-(phenylmethyl)butanamide, Replicase polyprotein 1ab
著者Zhang, L, Hilgenfeld, R.
登録日2017-02-14
公開日2018-03-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
5NH0
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BU of 5nh0 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide tert-Butyl ((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)b- utan-2-yl)carbamate (tert-butyl -GlnLactam-CO-CO-NH-benzyl)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Zhang, L, Hilgenfeld, R.
登録日2017-03-21
公開日2018-05-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
4O0U
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BU of 4o0u by Molmil
Crystal structures of human kinase Aurora A
分子名称: ADENOSINE, Aurora kinase A
著者Wang, J, Zhang, L, Ding, J.
登録日2013-12-14
公開日2014-12-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Functional Role of Conserved HxD-histidine in the Catalytic Core of Protein Kinases
To be Published
8B35
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BU of 8b35 by Molmil
Chalcone synthase from Hordeum vulgare complexed with CoA and naringenin
分子名称: COENZYME A, Chalcone synthase 2, NARINGENIN
著者Zhang, L, Groves, M.R.
登録日2022-09-15
公開日2023-09-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids.
J.Agric.Food Chem., 72, 2024
8B32
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BU of 8b32 by Molmil
Chalcone synthase from Hordeum vulgare complexed with CoA
分子名称: COENZYME A, Chalcone synthase 2
著者Zhang, L, Groves, M.R.
登録日2022-09-15
公開日2023-09-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids.
J.Agric.Food Chem., 72, 2024
8B3C
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BU of 8b3c by Molmil
Chalcone synthase from Hordeum vulgare complexed with CoA and eriodictyol
分子名称: (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, COENZYME A, Chalcone synthase 2
著者Zhang, L, Groves, M.R.
登録日2022-09-16
公開日2023-09-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids.
J.Agric.Food Chem., 72, 2024
4RHD
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BU of 4rhd by Molmil
DNA Duplex with Novel ZP Base Pair
分子名称: DNA 9mer novel P nucleobase, DNA 9mer novel Z nucleobase, MAGNESIUM ION
著者Zhang, W, Zhang, L, Benner, S, Huang, Z.
登録日2014-10-01
公開日2015-07-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Evolution of functional six-nucleotide DNA.
J.Am.Chem.Soc., 137, 2015
7ZNQ
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BU of 7znq by Molmil
ABC transporter complex NosDFYL in GDN
分子名称: COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ...
著者Zhang, L, Mueller, C, Zipfel, S, Chami, M, Einsle, O.
登録日2022-04-21
公開日2022-08-03
最終更新日2022-10-26
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
8C9T
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BU of 8c9t by Molmil
Catechol O-methyltransferase from Streptomyces avermitilis
分子名称: GLYCEROL, Putative O-methyltransferase
著者Zhang, L, Groves, M.R.
登録日2023-01-23
公開日2023-04-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Characterization and Extended Substrate Scope Analysis of Two Mg 2+ -Dependent O-Methyltransferases from Bacteria.
Chembiochem, 24, 2023
8C9V
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BU of 8c9v by Molmil
O-methyltransferase from Desulfuromonas acetoxidans
分子名称: MAGNESIUM ION, O-methyltransferase, family 3
著者Zhang, L, Groves, M.R.
登録日2023-01-23
公開日2023-04-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Characterization and Extended Substrate Scope Analysis of Two Mg 2+ -Dependent O-Methyltransferases from Bacteria.
Chembiochem, 24, 2023
8C9S
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BU of 8c9s by Molmil
Catechol O-methyltransferase from Streptomyces avermitilis in complex with SAH
分子名称: MAGNESIUM ION, Putative O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Zhang, L, Groves, M.R.
登録日2023-01-23
公開日2023-04-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Characterization and Extended Substrate Scope Analysis of Two Mg 2+ -Dependent O-Methyltransferases from Bacteria.
Chembiochem, 24, 2023

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