4AW8
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![BU of 4aw8 by Molmil](/molmil-images/mine/4aw8) | X-ray structure of ZinT from Salmonella enterica in complex with zinc ion and PEG | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Metal-binding protein ZinT, SODIUM ION, ... | Authors: | Alaleona, F, Ilari, A, Battistoni, A, Petrarca, P, Chiancone, E. | Deposit date: | 2012-06-01 | Release date: | 2013-06-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Salmonella Enterica Zint Structure, Zinc Affinity and Interaction with the High-Affinity Uptake Protein Znua Provide Insight Into the Management of Periplasmic Zinc. Biochim.Biophys.Acta, 1840, 2014
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5NPD
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![BU of 5npd by Molmil](/molmil-images/mine/5npd) | Crystal Structure of D412N nucleophile mutant cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with alpha Cyclophellitol Aziridine probe CF021 | Descriptor: | (1~{S},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, OXALATE ION, ... | Authors: | Wu, L, Davies, G.J. | Deposit date: | 2017-04-16 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor. ACS Cent Sci, 3, 2017
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4AYH
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![BU of 4ayh by Molmil](/molmil-images/mine/4ayh) | The X-ray structure of zinc bound ZinT | Descriptor: | METAL-BINDING PROTEIN YODA, SULFATE ION, ZINC ION | Authors: | Alaleona, F, Ilari, A, Battistoni, A, Petrarca, P, Chiancone, E. | Deposit date: | 2012-06-21 | Release date: | 2013-07-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | The Salmonella Enterica Zint Structure, Zinc Affinity and Interaction with the High-Affinity Uptake Protein Znua Provide Insight Into the Management of Periplasmic Zinc. Biochim.Biophys.Acta, 1840, 2014
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4ARL
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![BU of 4arl by Molmil](/molmil-images/mine/4arl) | Structure of the inactive pesticin D207A mutant | Descriptor: | PESTICIN | Authors: | Zeth, K, Patzer, S.I, Albrecht, R, Braun, V. | Deposit date: | 2012-04-25 | Release date: | 2012-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Structure and Mechanistic Studies of Pesticin, a Bacterial Homolog of Phage Lysozymes. J.Biol.Chem., 287, 2012
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5O0S
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![BU of 5o0s by Molmil](/molmil-images/mine/5o0s) | Crystal structure of txGH116 (beta-glucosidase from Thermoanaerobacterium xylolyticum) in complex with unreacted beta Cyclophellitol Cyclosulfate probe ME711 | Descriptor: | (3~{a}~{S},4~{R},5~{S},6~{R},7~{R},7~{a}~{R})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Wu, L, Offen, W.A, Breen, I.Z, Davies, G.J. | Deposit date: | 2017-05-16 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor. ACS Cent Sci, 3, 2017
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4ARQ
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![BU of 4arq by Molmil](/molmil-images/mine/4arq) | Structure of the pesticin S89C, S285C double mutant | Descriptor: | MAGNESIUM ION, PESTICIN | Authors: | Zeth, K, Patzer, S.I, Albrecht, R, Braun, V. | Deposit date: | 2012-04-25 | Release date: | 2012-05-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and Mechanistic Studies of Pesticin, a Bacterial Homolog of Phage Lysozymes. J.Biol.Chem., 287, 2012
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2ZGO
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![BU of 2zgo by Molmil](/molmil-images/mine/2zgo) | Crystal structure of AAL mutant H59Q complex with lactose | Descriptor: | Anti-tumor lectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Li, D.F, Yang, N, Wang, D.C. | Deposit date: | 2008-01-23 | Release date: | 2009-01-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita J.Mol.Biol., 387, 2009
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2ZGP
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![BU of 2zgp by Molmil](/molmil-images/mine/2zgp) | |
2ZGL
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![BU of 2zgl by Molmil](/molmil-images/mine/2zgl) | |
4ARP
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![BU of 4arp by Molmil](/molmil-images/mine/4arp) | Structure of the inactive pesticin E178A mutant | Descriptor: | PESTICIN | Authors: | Zeth, K, Patzer, S.I, Albrecht, R, Braun, V. | Deposit date: | 2012-04-25 | Release date: | 2012-05-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.296 Å) | Cite: | Structure and Mechanistic Studies of Pesticin, a Bacterial Homolog of Phage Lysozymes. J.Biol.Chem., 287, 2012
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3ZMM
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![BU of 3zmm by Molmil](/molmil-images/mine/3zmm) | Inhibitors of Jak2 Kinase domain | Descriptor: | 5-FLUORO-4-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHOXY]-N-(5-METHYL-1H-PYRAZOL-3-YL)-6-MORPHOLINO-PYRIMIDIN-2-AMINE, ACETYL GROUP, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Read, J, Green, I, Pollard, H, Howard, T, Mott, R. | Deposit date: | 2013-02-11 | Release date: | 2013-04-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery of Novel Jak2-Stat Pathway Inhibitors with Extended Residence Time on Target. Bioorg.Med.Chem.Lett., 23, 2013
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3ZY7
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![BU of 3zy7 by Molmil](/molmil-images/mine/3zy7) | Crystal structure of computationally redesigned gamma-adaptin appendage domain forming a symmetric homodimer | Descriptor: | AP-1 COMPLEX SUBUNIT GAMMA-1, DI(HYDROXYETHYL)ETHER, ISOPROPYL ALCOHOL | Authors: | Stranges, P.B, Machius, M, Miley, M.J, Tripathy, A, Kuhlman, B. | Deposit date: | 2011-08-17 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Computational Design of a Symmetric Homodimer Using Beta-Strand Assembly. Proc.Natl.Acad.Sci.USA, 108, 2011
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2ZGN
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![BU of 2zgn by Molmil](/molmil-images/mine/2zgn) | crystal structure of recombinant Agrocybe aegerita lectin, rAAL, complex with galactose | Descriptor: | Anti-tumor lectin, beta-D-galactopyranose | Authors: | Yang, N, Li, D.F, Wang, D.C. | Deposit date: | 2008-01-23 | Release date: | 2009-01-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita J.Mol.Biol., 387, 2009
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2ZGR
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![BU of 2zgr by Molmil](/molmil-images/mine/2zgr) | |
3C60
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![BU of 3c60 by Molmil](/molmil-images/mine/3c60) | |
3ZXJ
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![BU of 3zxj by Molmil](/molmil-images/mine/3zxj) | Engineering the active site of a GH43 glycoside hydrolase generates a biotechnologically significant enzyme that displays both endo- xylanase and exo-arabinofuranosidase activity | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, HIAXHD3, ... | Authors: | McKee, L.S, Pena, M.J, Rogowski, A, Jackson, A, Lewis, R.J, York, W.S, Krogh, K.B.R.M, Vikso-Nielsen, A, Skjot, M, Gilbert, H.J, Marles-Wright, J. | Deposit date: | 2011-08-11 | Release date: | 2012-04-18 | Last modified: | 2012-05-02 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Introducing Endo-Xylanase Activity Into an Exo-Acting Arabinofuranosidase that Targets Side Chains. Proc.Natl.Acad.Sci.USA, 109, 2012
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3ZXK
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![BU of 3zxk by Molmil](/molmil-images/mine/3zxk) | Engineering the active site of a GH43 glycoside hydrolase generates a biotechnologically significant enzyme that displays both endo- xylanase and exo-arabinofuranosidase activity | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIAXHD3, alpha-L-arabinofuranose-(1-2)-[beta-D-xylopyranose-(1-4)]beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | McKee, L.S, Pena, M.J, Rogowski, A, Jackson, A, Lewis, R.J, York, W.S, Krogh, K.B.R.M, Vikso-Nielsen, A, Skjot, M, Gilbert, H.J, Marles-Wright, J. | Deposit date: | 2011-08-11 | Release date: | 2012-04-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Introducing Endo-Xylanase Activity Into an Exo-Acting Arabinofuranosidase that Targets Side Chains. Proc.Natl.Acad.Sci.USA, 109, 2012
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3ZXL
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![BU of 3zxl by Molmil](/molmil-images/mine/3zxl) | Engineering the active site of a GH43 glycoside hydrolase generates a biotechnologically significant enzyme that displays both endo- xylanase and exo-arabinofuranosidase activity | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HIAXHD3 | Authors: | McKee, L.S, Pena, M.J, Rogowski, A, Jackson, A, Lewis, R.J, York, W.S, Krogh, K.B.R.M, Vikso-Nielsen, A, Skjot, M, Gilbert, H.J, Marles-Wright, J. | Deposit date: | 2011-08-11 | Release date: | 2012-04-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.871 Å) | Cite: | Introducing Endo-Xylanase Activity Into an Exo-Acting Arabinofuranosidase that Targets Side Chains. Proc.Natl.Acad.Sci.USA, 109, 2012
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3ZPL
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![BU of 3zpl by Molmil](/molmil-images/mine/3zpl) | Crystal structure of Sco3205, a MarR family transcriptional regulator from Streptomyces coelicolor, in complex with DNA | Descriptor: | 5'-D(*AP*AP*AP*GP*AP*TP*TP*GP*AP*GP*AP*TP*CP*TP *CP*AP*AP*TP*CP*TP*TP*DT)-3', PHOSPHATE ION, PUTATIVE MARR-FAMILY TRANSCRIPTIONAL REPRESSOR | Authors: | Stevenson, C.E.M, Assaad, A, Lawson, D.M. | Deposit date: | 2013-02-28 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Investigation of DNA Sequence Recognition by a Streptomycete Marr Family Transcriptional Regulator Through Surface Plasmon Resonance and X-Ray Crystallography. Nucleic Acids Res., 41, 2013
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2ZGQ
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![BU of 2zgq by Molmil](/molmil-images/mine/2zgq) | |
4ARH
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![BU of 4arh by Molmil](/molmil-images/mine/4arh) | X ray structure of the periplasmic zinc binding protein ZinT from Salmonella enterica | Descriptor: | METAL-BINDING PROTEIN YODA, SULFATE ION | Authors: | Alaleona, F, Ilari, A, Battistoni, A, Petrarca, P, Chiancone, E. | Deposit date: | 2012-04-24 | Release date: | 2013-05-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Salmonella Enterica Zint Structure, Zinc Affinity and Interaction with the High-Affinity Uptake Protein Znua Provide Insight Into the Management of Periplasmic Zinc. Biochim.Biophys.Acta, 1840, 2014
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4ARJ
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![BU of 4arj by Molmil](/molmil-images/mine/4arj) | Crystal structure of a pesticin (translocation and receptor binding domain) from Y. pestis and T4-lysozyme chimera | Descriptor: | PESTICIN, LYSOZYME, SULFATE ION | Authors: | Zeth, K, Patzer, S.I, Albrecht, R, Braun, V. | Deposit date: | 2012-04-24 | Release date: | 2012-05-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.593 Å) | Cite: | Structure and Mechanistic Studies of Pesticin, a Bacterial Homolog of Phage Lysozymes. J.Biol.Chem., 287, 2012
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4CEZ
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![BU of 4cez by Molmil](/molmil-images/mine/4cez) | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | Descriptor: | (2S)-2-(2-carboxyethyl)-6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(prop-2-en-1-yl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Peat, T.S. | Deposit date: | 2013-11-13 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
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4CF1
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![BU of 4cf1 by Molmil](/molmil-images/mine/4cf1) | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | Descriptor: | (2s)-6-[[(1r,2s)-2-(5-azanylpentanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETATE ION, INTEGRASE, ... | Authors: | Peat, T.S. | Deposit date: | 2013-11-13 | Release date: | 2013-12-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
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4CFB
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![BU of 4cfb by Molmil](/molmil-images/mine/4cfb) | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | Descriptor: | (R)-(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-(CYCLOHEXYLMETHYLCARBAMOYL)PHENYL]METHYL]-METHYL-AZANIUM, ACETATE ION, INTEGRASE, ... | Authors: | Peat, T.S. | Deposit date: | 2013-11-14 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
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