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PDB: 483 results

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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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
8AHX
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BU of 8ahx by Molmil
Cryo-EM structure of the nitrogen-fixation associated NADH:ferredoxin oxidoreductase RNF from Azotobacter vinelandii
Descriptor: DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Zhang, L, Einsle, O.
Deposit date:2022-07-24
Release date:2023-11-01
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Architecture of the NADH:ferredoxin oxidoreductase RNF that drives Biological Nitrogen Fixation
To Be Published
4I5X
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BU of 4i5x by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Flufenamic acid
Descriptor: 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, L, Zheng, X, Chen, S, Zhai, J, Zhang, H, Zhao, Y.
Deposit date:2012-11-29
Release date:2013-10-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Febs Lett., 587, 2013
6FV2
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BU of 6fv2 by Molmil
Structure of human coronavirus NL63 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 (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
Descriptor: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, 3C-like proteinase, GLYCEROL
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2018-02-28
Release date:2019-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment.
J.Med.Chem., 2020
6RL0
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BU of 6rl0 by Molmil
Recombinant Pseudomonas stutzeri nitrous oxide reductase, form I
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Zhang, L, Wuest, A, Prasser, B, Mueller, C, Einsle, O.
Deposit date:2019-04-30
Release date:2019-06-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Functional assembly of nitrous oxide reductase provides insights into copper site maturation.
Proc.Natl.Acad.Sci.USA, 116, 2019
2C9Q
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BU of 2c9q by Molmil
Cu(I)Cu(II)-CopC at pH 7.5
Descriptor: COPPER (II) ION, COPPER RESISTANCE PROTEIN C
Authors:Zhang, L, Koay, M, Maher, M.J, Xiao, Z, Wedd, A.G.
Deposit date:2005-12-14
Release date:2006-05-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Intermolecular Transfer of Copper Ions from the Copc Protein of Pseudomonas Syringae. Crystal Structures of Fully Loaded Cu(I)Cu(II) Forms.
J.Am.Chem.Soc., 128, 2006
2C9R
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apo-H91F CopC
Descriptor: COPPER RESISTANCE PROTEIN C, SODIUM ION
Authors:Zhang, L, Koay, M, Maher, M.J, Xiao, Z, Wedd, A.G.
Deposit date:2005-12-14
Release date:2006-05-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Intermolecular Transfer of Copper Ions from the Copc Protein of Pseudomonas Syringae. Crystal Structures of Fully Loaded Cu(I)Cu(II) Forms.
J.Am.Chem.Soc., 128, 2006
2C9P
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BU of 2c9p by Molmil
Cu(I)Cu(II)-CopC at pH 4.5
Descriptor: COPPER (II) ION, COPPER RESISTANCE PROTEIN C, NITRATE ION
Authors:Zhang, L, Koay, M, Maher, M.J, Xiao, Z, Wedd, A.G.
Deposit date:2005-12-14
Release date:2006-05-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Intermolecular Transfer of Copper Ions from the Copc Protein of Pseudomonas Syringae. Crystal Structures of Fully Loaded Cu(I)Cu(II) Forms.
J.Am.Chem.Soc., 128, 2006
2FIN
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BU of 2fin by Molmil
Solution Structure of the complex between poxvirus-encoded CC chemokine inhibitor vCCI and human MIP-1beta, ensemble structure
Descriptor: Small inducible cytokine A4, rabbitpox encoded CC chemokine inhibitor
Authors:Zhang, L.
Deposit date:2005-12-29
Release date:2006-08-22
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Solution structure of the complex between poxvirus-encoded CC chemokine inhibitor vCCI and human MIP-1beta.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2FFK
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BU of 2ffk by Molmil
Solution structure of the complex between poxvirus-encoded CC chemokine inhibitor vCCI and human MIP-1beta, minimized average structure
Descriptor: Small inducible cytokine A4, rabbitpox encoded CC chemokine inhibitor
Authors:Zhang, L.
Deposit date:2005-12-19
Release date:2006-08-22
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Solution structure of the complex between poxvirus-encoded CC chemokine inhibitor vCCI and human MIP-1beta.
Proc.Natl.Acad.Sci.Usa, 103, 2006
4GQG
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BU of 4gqg by Molmil
Crystal structure of AKR1B10 complexed with NADP+
Descriptor: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, L, Zheng, X, Chen, S, Zhai, J, Hu, X.
Deposit date:2012-08-23
Release date:2013-08-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Febs Lett., 587, 2013
5C1U
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BU of 5c1u by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound Xb
Descriptor: (2S)-2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide, 3C proteinase
Authors:Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5C1X
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BU of 5c1x by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound VIII
Descriptor: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase
Authors:Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5C1Y
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BU of 5c1y by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound 1
Descriptor: 3C proteinase, propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
Authors:Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5C20
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BU of 5c20 by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound 2
Descriptor: 2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase
Authors:Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
Deposit date:2015-06-15
Release date:2016-06-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
2GLP
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BU of 2glp by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) from Helicobacter pylori complexed with compound 1
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ...
Authors:Zhang, L, Liu, W, Shen, X, Jiang, H.
Deposit date:2006-04-05
Release date:2007-03-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
4JII
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BU of 4jii by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Zopolrestat
Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC)
Deposit date:2013-03-06
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
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
4JIH
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BU of 4jih by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Epalrestat
Descriptor: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
Authors:Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC)
Deposit date:2013-03-06
Release date:2013-10-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
4JIR
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BU of 4jir by Molmil
Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Epalrestat
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
Authors:Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X.
Deposit date:2013-03-06
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
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
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ...
Authors:Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
Deposit date:2008-07-07
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
2GLV
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BU of 2glv by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) mutant(Y100A) from Helicobacter pylori
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, CHLORIDE ION
Authors:Zhang, L, Liu, W, Shen, X, Jiang, H.
Deposit date:2006-04-05
Release date:2007-03-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
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
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ...
Authors:Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
Deposit date:2008-07-07
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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

221051

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