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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
4Y0K
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BU of 4y0k by Molmil
Structure of crotonyl-CoA carboxylase/reductase AntE 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2015-02-06
公開日2015-09-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.203 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
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
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
7BX8
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BU of 7bx8 by Molmil
Mycobacterium smegmatis arabinosyltransferase complex EmbB2-AcpM2 in symmetric "resting state"
分子名称: Integral membrane indolylacetylinositol arabinosyltransferase EmbB, Meromycolate extension acyl carrier protein
著者Gao, R.G, Zhang, L, Wang, Q, Rao, Z.H.
登録日2020-04-17
公開日2020-05-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2.
Protein Cell, 11, 2020
7BWR
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BU of 7bwr by Molmil
Mycobacterium smegmatis arabinosyltransferase complex EmbB2-AcpM2 in substrate DPA bound asymmetric "active state"
分子名称: CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbB, Meromycolate extension acyl carrier protein, ...
著者Gao, R.G, Zhang, L, Wang, Q, Rao, Z.H.
登録日2020-04-15
公開日2020-05-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2.
Protein Cell, 11, 2020
3B7J
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BU of 3b7j by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) from Helicobacter pylori complexed with juglone
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 5-hydroxynaphthalene-1,4-dione, BENZAMIDINE, ...
著者Zhang, L, Kong, Y.H, Wu, D, Shen, X, Jiang, H.L.
登録日2007-10-31
公開日2008-09-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Natural product juglone targets three key enzymes from Helicobacter pylori: inhibition assay with crystal structure characterization
ACTA PHARMACOL.SIN., 29, 2008
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
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
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
3ED0
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BU of 3ed0 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with emodin
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, BENZAMIDINE, ...
著者Zhang, L, Zhang, H, Liu, W, Guo, Y, Shen, X, Jiang, H.
登録日2008-09-02
公開日2009-07-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Emodin targets the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: enzymatic inhibition assay with crystal structural and thermodynamic characterization
BMC MICROBIOL., 9, 2009
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2023-05-10
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
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2023-05-10
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
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
3DOY
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BU of 3doy by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3i
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ...
著者Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
登録日2008-07-07
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DP3
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BU of 3dp3 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3q
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ...
著者Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
登録日2008-07-07
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DP2
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BU of 3dp2 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3j
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ...
著者Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
登録日2008-07-07
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DOZ
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BU of 3doz by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3k
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ...
著者Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
登録日2008-07-07
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DP1
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Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3n
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ...
著者Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
登録日2008-07-07
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DP0
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Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3m
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ...
著者Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
登録日2008-07-07
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009

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