6Y72
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![BU of 6y72 by Molmil](/molmil-images/mine/6y72) | Pseudomonas stutzeri nitrous oxide reductase mutant, H178A | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Zhang, L, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2020-02-27 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase. Chem Sci, 12, 2021
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6Y71
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![BU of 6y71 by Molmil](/molmil-images/mine/6y71) | Pseudomonas stutzeri nitrous oxide reductase mutant, H130A | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Zhang, L, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2020-02-27 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase. Chem Sci, 12, 2021
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6Y6Y
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![BU of 6y6y by Molmil](/molmil-images/mine/6y6y) | Pseudomonas stutzeri nitrous oxide reductase mutant, H129A | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Zhang, L, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2020-02-27 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase. Chem Sci, 12, 2021
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6Y7E
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![BU of 6y7e by Molmil](/molmil-images/mine/6y7e) | Pseudomonas stutzeri nitrous oxide reductase mutant, H494A | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Zhang, L, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2020-02-28 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase. Chem Sci, 12, 2021
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6Y7D
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![BU of 6y7d by Molmil](/molmil-images/mine/6y7d) | Pseudomonas stutzeri nitrous oxide reductase mutant, H433A | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Zhang, L, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2020-02-28 | Release date: | 2021-01-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase. Chem Sci, 12, 2021
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6Z2E
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![BU of 6z2e by Molmil](/molmil-images/mine/6z2e) | Crystal structure of SARS-CoV-2 Mpro in complex with the activity-based probe, biotin-PEG(4)-Abu-Tle-Leu-Gln-vinylsulfone | Descriptor: | (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, ... | Authors: | Zhang, L, Hilgenfeld, R. | Deposit date: | 2020-05-15 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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
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6LKQ
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![BU of 6lkq by Molmil](/molmil-images/mine/6lkq) | The Structural Basis for Inhibition of Ribosomal Translocation by Viomycin | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Zhang, L, Wang, Y.H, Lancaster, L, Zhou, J, Noller, H.F. | Deposit date: | 2019-12-20 | Release date: | 2020-05-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The structural basis for inhibition of ribosomal translocation by viomycin. Proc.Natl.Acad.Sci.USA, 117, 2020
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3JBL
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![BU of 3jbl by Molmil](/molmil-images/mine/3jbl) | Cryo-EM Structure of the Activated NAIP2/NLRC4 Inflammasome Reveals Nucleated Polymerization | Descriptor: | NLR family CARD domain-containing protein 4 | Authors: | Zhang, L, Chen, S, Ruan, J, Wu, J, Tong, A.B, Yin, Q, Li, Y, David, L, Lu, A, Wang, W.L, Marks, C, Ouyang, Q, Zhang, X, Mao, Y, Wu, H. | Deposit date: | 2015-09-05 | Release date: | 2015-10-21 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-EM structure of the activated NAIP2-NLRC4 inflammasome reveals nucleated polymerization. Science, 350, 2015
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5H9G
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![BU of 5h9g by Molmil](/molmil-images/mine/5h9g) | |
5H9H
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![BU of 5h9h by Molmil](/molmil-images/mine/5h9h) | |
5MGY
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![BU of 5mgy by Molmil](/molmil-images/mine/5mgy) | Crystal structure of Pseudomonas stutzeri flavinyl transferase ApbE, apo form | Descriptor: | FAD:protein FMN transferase, MAGNESIUM ION | Authors: | Zhang, L, Trncik, C, Andrade, S.L.A, Einsle, O. | Deposit date: | 2016-11-22 | Release date: | 2016-12-14 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The flavinyl transferase ApbE of Pseudomonas stutzeri matures the NosR protein required for nitrous oxide reduction. Biochim. Biophys. Acta, 1858, 2016
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3CF9
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![BU of 3cf9 by Molmil](/molmil-images/mine/3cf9) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with apigenin | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, BENZAMIDINE, ... | Authors: | Zhang, L, Wu, D, Liu, W, Shen, X, Jiang, H. | Deposit date: | 2008-03-03 | Release date: | 2008-12-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay Protein Sci., 17, 2008
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3D04
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![BU of 3d04 by Molmil](/molmil-images/mine/3d04) | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with sakuranetin | Descriptor: | (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one, (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, ... | Authors: | Zhang, L, Kong, Y, Wu, D, Shen, X, Jiang, H. | Deposit date: | 2008-05-01 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay Protein Sci., 17, 2008
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6FV1
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![BU of 6fv1 by Molmil](/molmil-images/mine/6fv1) | Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)-2-cinnamamido-4-methylpentanamide (cinnamoyl-leucine-GlnLactam-CO-CO-NH-benzyl) | Descriptor: | (2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | Authors: | Zhang, L, Hilgenfeld, R. | Deposit date: | 2018-02-28 | Release date: | 2019-03-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment. J.Med.Chem., 2020
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8AHX
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![BU of 8ahx by Molmil](/molmil-images/mine/8ahx) | |
4I5X
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![BU of 4i5x by Molmil](/molmil-images/mine/4i5x) | 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
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6FV2
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![BU of 6fv2 by Molmil](/molmil-images/mine/6fv2) | |
6RL0
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![BU of 6rl0 by Molmil](/molmil-images/mine/6rl0) | 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
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2C9Q
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![BU of 2c9q by Molmil](/molmil-images/mine/2c9q) | 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
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2C9R
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![BU of 2c9r by Molmil](/molmil-images/mine/2c9r) | 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
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2C9P
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![BU of 2c9p by Molmil](/molmil-images/mine/2c9p) | 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
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2FIN
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![BU of 2fin by Molmil](/molmil-images/mine/2fin) | |
2FFK
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![BU of 2ffk by Molmil](/molmil-images/mine/2ffk) | |
4GQG
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![BU of 4gqg by Molmil](/molmil-images/mine/4gqg) | 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
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5C1U
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![BU of 5c1u by Molmil](/molmil-images/mine/5c1u) | 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
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