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PDB: 480 件
5C1U
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Crystal structure of EV71 3C Proteinase in complex with Compound Xb
分子名称: (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
著者Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
登録日2015-06-15
公開日2016-06-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5C1X
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Crystal structure of EV71 3C Proteinase in complex with Compound VIII
分子名称: (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
著者Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
登録日2015-06-15
公開日2016-06-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
8C9S
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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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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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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
6RL0
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Recombinant Pseudomonas stutzeri nitrous oxide reductase, form I
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者Zhang, L, Wuest, A, Prasser, B, Mueller, C, Einsle, O.
登録日2019-04-30
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Functional assembly of nitrous oxide reductase provides insights into copper site maturation.
Proc.Natl.Acad.Sci.USA, 116, 2019
1KXK
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BU of 1kxk by Molmil
Crystal Structure of a RNA Molecule Containing Domain 5 and 6 of the Yeast ai5g Group II Self-splicing Intron
分子名称: MAGNESIUM ION, ai5g group II Self-splicing intron
著者Zhang, L, Doudna, J.A.
登録日2002-01-31
公開日2002-03-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural insights into group II intron catalysis and branch-site selection.
Science, 295, 2002
2GLP
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Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) from Helicobacter pylori complexed with compound 1
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ...
著者Zhang, L, Liu, W, Shen, X, Jiang, H.
登録日2006-04-05
公開日2007-03-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
2GLV
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Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) mutant(Y100A) from Helicobacter pylori
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, CHLORIDE ION
著者Zhang, L, Liu, W, Shen, X, Jiang, H.
登録日2006-04-05
公開日2007-03-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
6Z2E
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Crystal structure of SARS-CoV-2 Mpro in complex with the activity-based probe, biotin-PEG(4)-Abu-Tle-Leu-Gln-vinylsulfone
分子名称: (4~{S})-4-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[3-[2-[2-[2-[2-[5-[(3~{a}~{S},4~{R},6~{a}~{R})-2-oxidanylidene-3,3~{a},4,6~{a}-tetrahydro-1~{H}-thieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-6-methylsulfonyl-hexanamide, 3C-like proteinase, CHLORIDE ION, ...
著者Zhang, L, Hilgenfeld, R.
登録日2020-05-15
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of SARS-CoV-2 Mpro in complex with the activity-based probe, biotin-PEG(4)-Abu-Tle-Leu-Gln-vinylsulfone
To Be Published
2GLL
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Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) from Helicobacter pylori
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION
著者Zhang, L, Liu, W, Shen, X, Jiang, H.
登録日2006-04-05
公開日2007-03-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
2GLM
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Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) from Helicobacter pylori complexed with Compound 2
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 2-CHLORO-5-(5-{(E)-[(2Z)-3-(2-METHOXYETHYL)-4-OXO-2-(PHENYLIMINO)-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-2-FURYL)BENZOIC ACID, BENZAMIDINE, ...
著者Zhang, L, Liu, W, Shen, X, Jiang, H.
登録日2006-04-05
公開日2007-03-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
7AQ8
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Pseudomonas stutzeri nitrous oxide reductase mutant, H583Y/D576A
分子名称: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O.
登録日2020-10-20
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.791 Å)
主引用文献Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
7AQ5
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Pseudomonas stutzeri nitrous oxide reductase mutant, H583N
分子名称: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O.
登録日2020-10-20
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
7AQ6
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Pseudomonas stutzeri nitrous oxide reductase mutant, H583F
分子名称: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O.
登録日2020-10-20
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.514 Å)
主引用文献Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
3DOY
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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
7AQ7
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Pseudomonas stutzeri nitrous oxide reductase mutant, H583Y
分子名称: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O.
登録日2020-10-20
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.608 Å)
主引用文献Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
3DP3
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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
7AQ4
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Pseudomonas stutzeri nitrous oxide reductase mutant, H583E
分子名称: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O.
登録日2020-10-20
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.708 Å)
主引用文献Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
7AQ3
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Pseudomonas stutzeri nitrous oxide reductase mutant, H583D
分子名称: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O.
登録日2020-10-20
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.639 Å)
主引用文献Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
7APY
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Pseudomonas stutzeri nitrous oxide reductase mutant, D576A
分子名称: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O.
登録日2020-10-20
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.778 Å)
主引用文献Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
7AQA
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Pseudomonas stutzeri nitrous oxide reductase mutant, H382A
分子名称: (dicuprio-$l^{3}-sulfanyl)-sulfanyl-copper, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O.
登録日2020-10-20
公開日2021-01-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase.
Chem Sci, 12, 2021
7AQ0
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Pseudomonas stutzeri nitrous oxide reductase mutant, D576A/S550A
分子名称: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O.
登録日2020-10-20
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.584 Å)
主引用文献Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
7AQ9
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Pseudomonas stutzeri nitrous oxide reductase mutant, H583W
分子名称: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O.
登録日2020-10-20
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.585 Å)
主引用文献Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
3DP2
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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

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