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4Y1B
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BU of 4y1b by Molmil
Structure of crotonyl-CoA carboxylase/reductase AntE V350A in complex with NADP
Descriptor: AntE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Abe, I, Zhang, L, Mori, T.
Deposit date:2015-02-07
Release date:2015-09-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
8C9S
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BU of 8c9s by Molmil
Catechol O-methyltransferase from Streptomyces avermitilis in complex with SAH
Descriptor: MAGNESIUM ION, Putative O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Zhang, L, Groves, M.R.
Deposit date:2023-01-23
Release date:2023-04-05
Last modified:2023-05-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: GLYCEROL, Putative O-methyltransferase
Authors:Zhang, L, Groves, M.R.
Deposit date:2023-01-23
Release date:2023-04-05
Last modified:2023-05-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: MAGNESIUM ION, O-methyltransferase, family 3
Authors:Zhang, L, Groves, M.R.
Deposit date:2023-01-23
Release date:2023-04-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Characterization and Extended Substrate Scope Analysis of Two Mg 2+ -Dependent O-Methyltransferases from Bacteria.
Chembiochem, 24, 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
Descriptor: CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, Meromycolate extension acyl carrier protein, ...
Authors:Zhao, Y, Zhang, L, Wu, L.J, Wang, Q, Li, J, Besra, G.S, Rao, Z.H.
Deposit date:2020-04-10
Release date:2020-04-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite: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
Descriptor: Methyltranfer_dom domain-containing protein
Authors:Guo, P.C, Zhang, Y.S, Zhang, l, Xu, H.Y.
Deposit date:2021-08-09
Release date:2022-08-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.133 Å)
Cite:Structural characterization and functional analysis of juvenile hormone acid methyltransferase JHAMT3 from the silkworm, Bombyx mori.
Insect Biochem.Mol.Biol., 151, 2022
7BX8
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BU of 7bx8 by Molmil
Mycobacterium smegmatis arabinosyltransferase complex EmbB2-AcpM2 in symmetric "resting state"
Descriptor: Integral membrane indolylacetylinositol arabinosyltransferase EmbB, Meromycolate extension acyl carrier protein
Authors:Gao, R.G, Zhang, L, Wang, Q, Rao, Z.H.
Deposit date:2020-04-17
Release date:2020-05-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite: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"
Descriptor: CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbB, Meromycolate extension acyl carrier protein, ...
Authors:Gao, R.G, Zhang, L, Wang, Q, Rao, Z.H.
Deposit date:2020-04-15
Release date:2020-05-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2.
Protein Cell, 11, 2020
7QUW
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BU of 7quw by Molmil
CVB3-3Cpro in complex with inhibitor MG-78
Descriptor: (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
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2022-01-19
Release date:2022-03-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Carr, S.B, Armstrong, F.A, Zhang, L.
Deposit date:2019-05-13
Release date:2020-03-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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
Descriptor: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, DIMETHYL SULFOXIDE, SARS coronavirus main protease
Authors:Zhang, L, Ma, Q, Hilgenfeld, R.
Deposit date:2017-02-05
Release date:2018-02-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.62 Å)
Cite: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)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2017-03-21
Release date:2018-05-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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)
Descriptor: (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
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2017-02-14
Release date:2018-03-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
5YVF
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BU of 5yvf by Molmil
Crystal structure of BFA1
Descriptor: BFA1
Authors:Pu, H, Zhang, L, Duan, Z.K, Peng, L.W, Liu, L.
Deposit date:2017-11-25
Release date:2018-08-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.804 Å)
Cite: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
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, BENZAMIDINE, ...
Authors:Zhang, L, Zhang, H, Liu, W, Guo, Y, Shen, X, Jiang, H.
Deposit date:2008-09-02
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
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
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 5-hydroxynaphthalene-1,4-dione, BENZAMIDINE, ...
Authors:Zhang, L, Kong, Y.H, Wu, D, Shen, X, Jiang, H.L.
Deposit date:2007-10-31
Release date:2008-09-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Natural product juglone targets three key enzymes from Helicobacter pylori: inhibition assay with crystal structure characterization
ACTA PHARMACOL.SIN., 29, 2008
7ZNQ
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BU of 7znq by Molmil
ABC transporter complex NosDFYL in GDN
Descriptor: COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ...
Authors:Zhang, L, Mueller, C, Zipfel, S, Chami, M, Einsle, O.
Deposit date:2022-04-21
Release date:2022-08-03
Last modified:2022-10-26
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
8B32
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BU of 8b32 by Molmil
Chalcone synthase from Hordeum vulgare complexed with CoA
Descriptor: COENZYME A, Chalcone synthase 2
Authors:Zhang, L, Groves, M.R.
Deposit date:2022-09-15
Release date:2023-09-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids.
J.Agric.Food Chem., 72, 2024
8B35
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BU of 8b35 by Molmil
Chalcone synthase from Hordeum vulgare complexed with CoA and naringenin
Descriptor: COENZYME A, Chalcone synthase 2, NARINGENIN
Authors:Zhang, L, Groves, M.R.
Deposit date:2022-09-15
Release date:2023-09-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, COENZYME A, Chalcone synthase 2
Authors:Zhang, L, Groves, M.R.
Deposit date:2022-09-16
Release date:2023-09-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids.
J.Agric.Food Chem., 72, 2024
6G7M
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BU of 6g7m by Molmil
Four-site variant (Y222C, C197S, C432S, C433S) of E. coli hydrogenase-2
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2 large chain, ...
Authors:Carr, S.B, Armstrong, F.A, Zhang, L, Beaton, S.E.
Deposit date:2018-04-06
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Direct visible light activation of a surface cysteine-engineered [NiFe]-hydrogenase by silver nanoclusters
Energy Environ Sci, 2019
7QFV
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BU of 7qfv by Molmil
Crystal structure of KLK6 in complex with compound 17a
Descriptor: KLK6 Activity-Based Probe (Ahx-DPhe-Ser(Z)-Dht-Arg-DPP), Kallikrein-6
Authors:Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J.
Deposit date:2021-12-06
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.56 Å)
Cite: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
Descriptor: KLK6 Activity-Based Probe (Ahx-DPhe-Cha-Dht-Arg-DPP), Kallikrein-6
Authors:Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J.
Deposit date:2021-12-06
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite: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
Descriptor: BROMIDE ION, MS3494
Authors:Kent, J.E, Aleshin, A.E, Zhang, L, Niederweis, M, Marassi, F.M.
Deposit date:2021-07-12
Release date:2021-08-18
Last modified:2022-06-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A periplasmic cinched protein is required for siderophore secretion and virulence of Mycobacterium tuberculosis.
Nat Commun, 13, 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
Descriptor: Chimera protein of Serine/threonine-protein kinase PLK4 and DDB1- and CUL4-associated factor 1
Authors:Zhang, L, Park, J.-E, Meng, L, Lee, K.S.
Deposit date:2018-11-17
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Phase separation of Polo-like kinase 4 by autoactivation and clustering drives centriole biogenesis.
Nat Commun, 10, 2019

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