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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
7QFV
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BU of 7qfv by Molmil
Crystal structure of KLK6 in complex with compound 17a
分子名称: KLK6 Activity-Based Probe (Ahx-DPhe-Ser(Z)-Dht-Arg-DPP), Kallikrein-6
著者Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J.
登録日2021-12-06
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion.
J.Am.Chem.Soc., 144, 2022
7QFT
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BU of 7qft by Molmil
Crystal structure of KLK6 in complex with compound 16a
分子名称: KLK6 Activity-Based Probe (Ahx-DPhe-Cha-Dht-Arg-DPP), Kallikrein-6
著者Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J.
登録日2021-12-06
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion.
J.Am.Chem.Soc., 144, 2022
7REF
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BU of 7ref by Molmil
Structure of MS3494 from Mycobacterium smegmatis
分子名称: BROMIDE ION, MS3494
著者Kent, J.E, Aleshin, A.E, Zhang, L, Niederweis, M, Marassi, F.M.
登録日2021-07-12
公開日2021-08-18
最終更新日2022-06-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A periplasmic cinched protein is required for siderophore secretion and virulence of Mycobacterium tuberculosis.
Nat Commun, 13, 2022
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
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
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
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
7FAE
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BU of 7fae by Molmil
S protein of SARS-CoV-2 in complex bound with P36-5D2(state2)
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, P36-5D2 heavy chain, ...
著者Zhang, L, Wang, X, Shan, S, Zhang, S.
登録日2021-07-06
公開日2021-12-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献A Potent and Protective Human Neutralizing Antibody Against SARS-CoV-2 Variants.
Front Immunol, 12, 2021
7FAF
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BU of 7faf by Molmil
S protein of SARS-CoV-2 in complex bound with P36-5D2 (state1)
分子名称: P36-5D2 heavy chain, P36-5D2 light chain, Spike glycoprotein
著者Zhang, L, Wang, X, Zhang, S, Shan, S.
登録日2021-07-06
公開日2021-12-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献A Potent and Protective Human Neutralizing Antibody Against SARS-CoV-2 Variants.
Front Immunol, 12, 2021
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
6FX0
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BU of 6fx0 by Molmil
Structure-based design of Trifarotene (CD5789), a potent and selective RAR gamma agonist for the treatment of acne
分子名称: 6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid, Retinoic acid receptor gamma, TETRAETHYLENE GLYCOL
著者Chantalat, L, Thoreau, E.
登録日2018-03-08
公開日2018-05-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design of Trifarotene (CD5789), a potent and selective RAR gamma agonist for the treatment of acne.
Bioorg. Med. Chem. Lett., 28, 2018
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
5B0J
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BU of 5b0j by Molmil
Structure of MoeN5-Sso7d fusion protein in complex with beta-undecyl maltoside
分子名称: MoeN5,DNA-binding protein 7d, UNDECYL-MALTOSIDE
著者Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O.
登録日2015-10-30
公開日2016-03-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5.
Angew.Chem.Int.Ed.Engl., 55, 2016
5B0M
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Structure of MoeN5-Sso7d fusion protein in complex with beta-dodecyl maltoside
分子名称: DODECYL-BETA-D-MALTOSIDE, MoeN5,DNA-binding protein 7d
著者Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O.
登録日2015-11-02
公開日2016-03-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5.
Angew.Chem.Int.Ed.Engl., 55, 2016
5B0K
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BU of 5b0k by Molmil
Structure of MoeN5-Sso7d fusion protein in complex with beta-decyl maltoside
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, MoeN5,DNA-binding protein 7d
著者Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T.
登録日2015-10-30
公開日2016-03-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5.
Angew.Chem.Int.Ed.Engl., 55, 2016
4Y1B
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BU of 4y1b by Molmil
Structure of crotonyl-CoA carboxylase/reductase AntE V350A in complex with NADP
分子名称: AntE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Abe, I, Zhang, L, Mori, T.
登録日2015-02-07
公開日2015-09-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rational Control of Polyketide Extender Units by Structure-Based Engineering of a Crotonyl-CoA Carboxylase/Reductase in Antimycin Biosynthesis
Angew.Chem.Int.Ed.Engl., 54, 2015
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

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件を2024-07-17に公開中

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