3F7T
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![BU of 3f7t by Molmil](/molmil-images/mine/3f7t) | Structure of active IspH shows a novel fold with a [3Fe-4S] cluster in the catalytic centre | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, PHOSPHATE ION, ... | Authors: | Graewert, T, Eppinger, J, Rohdich, F, Bacher, A, Eisenreich, W, Groll, M. | Deposit date: | 2008-11-10 | Release date: | 2009-07-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of active IspH enzyme from Escherichia coli provides mechanistic insights into substrate reduction. Angew.Chem.Int.Ed.Engl., 48, 2009
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2J7L
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![BU of 2j7l by Molmil](/molmil-images/mine/2j7l) | E. coli P Pilus chaperone PapD in complex with a pilus biogenesis inhibitor, pilicide 2c | Descriptor: | (3R)-8-CYCLOPROPYL-6-(MORPHOLIN-4-YLMETHYL)-7-(1-NAPHTHYLMETHYL)-5-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID, CHAPERONE PROTEIN PAPD | Authors: | Remaut, H, Pinkner, J.S, Hultgren, S.J, Almqvist, F, Waksman, G. | Deposit date: | 2006-10-12 | Release date: | 2006-11-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Rationally Designed Small Compounds Inhibit Pilus Biogenesis in Uropathogenic Bacteria. Proc.Natl.Acad.Sci.USA, 103, 2006
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8DF0
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![BU of 8df0 by Molmil](/molmil-images/mine/8df0) | Abp1D receptor binding domain | Descriptor: | Abp1D Receptor Binding Domain | Authors: | Tamadonfar, K.O, Pinkner, J.S, Dodson, K.W, Hultgren, S.J. | Deposit date: | 2022-06-21 | Release date: | 2023-03-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-function correlates of fibrinogen binding by Acinetobacter adhesins critical in catheter-associated urinary tract infections. Proc.Natl.Acad.Sci.USA, 120, 2023
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8DKA
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![BU of 8dka by Molmil](/molmil-images/mine/8dka) | |
6SC4
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![BU of 6sc4 by Molmil](/molmil-images/mine/6sc4) | Gamma-Carbonic Anhydrase from the Haloarchaeon Halobacterium sp. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CADMIUM ION, ... | Authors: | Vogler, M, Karan, R, Renn, D, Vancea, A, Vielberg, V.-T, Groetzinger, S.W, DasSarma, P, Das Sarma, S, Eppinger, J, Groll, M, Rueping, M. | Deposit date: | 2019-07-23 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure and Active Site Engineering of a Halophilic gamma-Carbonic Anhydrase. Front Microbiol, 11, 2020
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5VQ5
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![BU of 5vq5 by Molmil](/molmil-images/mine/5vq5) | Crystal Structure of the Lectin Domain From the F17-like Adhesin, UclD | Descriptor: | Adhesin, IODIDE ION | Authors: | Klein, R.D, Spaulding, C.N, Dodson, K.W, Pinkner, J.S, Hultgren, S.J, Fremont, D. | Deposit date: | 2017-05-08 | Release date: | 2017-05-24 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Selective depletion of uropathogenic E. coli from the gut by a FimH antagonist. Nature, 546, 2017
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8DI2
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5UZ3
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![BU of 5uz3 by Molmil](/molmil-images/mine/5uz3) | Solution Structure of a DNA Dodecamer with 5-methylcytosine at the 9th position and 8-oxoguanine at the 10th position | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(DMC)P*(8OG)P*CP*G)-3') | Authors: | Gruber, D.R, Hoppins, J.J, Miears, H.L, Endutkin, A.V, Zharkov, D.O, Smirnov, S.L. | Deposit date: | 2017-02-24 | Release date: | 2017-05-31 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Oxidative damage to epigenetically methylated sites affects DNA stability, dynamics and enzymatic demethylation. Nucleic Acids Res., 46, 2018
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5UZ2
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![BU of 5uz2 by Molmil](/molmil-images/mine/5uz2) | Solution Structure of a DNA Dodecamer with 5-methylcytosine at the 3rd and 9th position and 8-oxoguanine at the 10th position | Descriptor: | DNA (5'-D(*CP*GP*(DMC)P*GP*AP*AP*TP*TP*(DMC)P*(8OG)P*CP*G)-3') | Authors: | Gruber, D.R, Hoppins, J.J, Miears, H.L, Endutkin, A.V, Zharkov, D.O, Smirnov, S.L. | Deposit date: | 2017-02-24 | Release date: | 2017-03-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Oxidative damage to epigenetically methylated sites affects DNA stability, dynamics and enzymatic demethylation. Nucleic Acids Res., 46, 2018
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5UZ1
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![BU of 5uz1 by Molmil](/molmil-images/mine/5uz1) | Solution Structure of a DNA Dodecamer with 5-methylcytosine at the 3rd position and 8-oxoguanine at the 10th position | Descriptor: | DNA (5'-D(*CP*GP*(DMC)P*GP*AP*AP*TP*TP*CP*(8OG)P*CP*G)-3') | Authors: | Gruber, D.R, Hoppins, J.J, Miears, H.L, Endutkin, A.V, Zharkov, D.O, Smirnov, S.L. | Deposit date: | 2017-02-24 | Release date: | 2017-05-31 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Oxidative damage to epigenetically methylated sites affects DNA stability, dynamics and enzymatic demethylation. Nucleic Acids Res., 46, 2018
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1ZEO
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![BU of 1zeo by Molmil](/molmil-images/mine/1zeo) | Crystal Structure of Human PPAR-gamma Ligand Binding Domain Complexed with an Alpha-Aryloxyphenylacetic Acid Agonist | Descriptor: | (2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)OXY]ACETATE, Peroxisome proliferator activated receptor gamma | Authors: | Shi, G.Q, Dropinski, J.F, McKeever, B.M, Adams, A.D, MacNaul, K.L, Elbrecht, A, Berger, J.P, Zhou, G, Doebber, T.W. | Deposit date: | 2005-04-19 | Release date: | 2006-04-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design and Synthesis of alpha-Aryloxyphenylacetic Acid Derivatives: A Novel Class of PPAR alpha/gamma Dual Agonists with Potent Antihyperglycemic and Lipid Modulating Activity J.Med.Chem., 48, 2005
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3DCV
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![BU of 3dcv by Molmil](/molmil-images/mine/3dcv) | Crystal structure of human Pim1 kinase complexed with 4-(4-hydroxy-3-methyl-phenyl)-6-phenylpyrimidin-2(1H)-one | Descriptor: | 4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1 | Authors: | Bellamacina, C.R, Shafer, C.M, Lindvall, M, Gesner, T.G, Yabannavar, A, Weiping, J, Song, L, Walter, A. | Deposit date: | 2008-06-04 | Release date: | 2008-08-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 4-(1H-indazol-5-yl)-6-phenylpyrimidin-2(1H)-one analogs as potent CDC7 inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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5U91
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![BU of 5u91 by Molmil](/molmil-images/mine/5u91) | Crystal structure of Tre/loxLTR complex | Descriptor: | DNA (37-MER), Tre recombinase protein | Authors: | Meinke, G, Karpinski, J, Buchholz, F, Bohm, A. | Deposit date: | 2016-12-15 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.104 Å) | Cite: | Crystal structure of an engineered, HIV-specific recombinase for removal of integrated proviral DNA. Nucleic Acids Res., 45, 2017
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4AAG
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![BU of 4aag by Molmil](/molmil-images/mine/4aag) | Crystal structure of the mutant D75N I-CreI in complex with its wild- type target in presence of Ca at the active site (The four central bases, 2NN region, are composed by GTAC from 5' to 3') | Descriptor: | 5'-D(*TP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP*CP *GP*AP*CP*GP*TP*TP*TP*TP*GP*A)-3', CALCIUM ION, DNA ENDONUCLEASE I-CREI | Authors: | Molina, R, Redondo, P, Stella, S, Marenchino, M, D'Abramo, M, Gervasio, F, Epinat, J.C, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G. | Deposit date: | 2011-12-01 | Release date: | 2012-05-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Non-Specific Protein-DNA Interactions Control I-Crei Target Binding and Cleavage. Nucleic Acids Res., 40, 2012
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4AAD
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![BU of 4aad by Molmil](/molmil-images/mine/4aad) | Crystal structure of the mutant D75N I-CreI in complex with its wild- type target in absence of metal ions at the active site (The four central bases, 2NN region, are composed by GTAC from 5' to 3') | Descriptor: | 24MER DNA, DNA ENDONUCLEASE I-CREI, GLYCEROL | Authors: | Molina, R, Redondo, P, Stella, S, Marenchino, M, D'Abramo, M, Gervasio, F.L, Epinat, J.C, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G. | Deposit date: | 2011-12-01 | Release date: | 2012-05-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Non-Specific Protein-DNA Interactions Control I-Crei Target Binding and Cleavage. Nucleic Acids Res., 40, 2012
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4AAB
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![BU of 4aab by Molmil](/molmil-images/mine/4aab) | Crystal structure of the mutant D75N I-CreI in complex with its wild- type target (The four central bases, 2NN region, are composed by GTAC from 5' to 3') | Descriptor: | 10MER DNA 5'-D(*GP*AP*CP*GP*TP*TP*TP*TP*GP*AP)-3', 14MER DNA 5'-D(*TP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP*CP)-3', DNA ENDONUCLEASE I-CREI, ... | Authors: | Molina, R, Redondo, P, Stella, S, Marenchino, M, D'Abramo, M, Gervasio, F.L, Epinat, J.C, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G. | Deposit date: | 2011-12-01 | Release date: | 2012-05-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Non-Specific Protein-DNA Interactions Control I-Crei Target Binding and Cleavage. Nucleic Acids Res., 40, 2012
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4AAF
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![BU of 4aaf by Molmil](/molmil-images/mine/4aaf) | Crystal structure of the mutant D75N I-CreI in complex with an altered target (The four central bases, 2NN region, are composed by TGCA from 5' to 3') | Descriptor: | 1,2-ETHANEDIOL, 24MER DNA, DNA ENDONUCLEASE I-CREI | Authors: | Molina, R, Redondo, P, Stella, S, Marenchino, M, D'Abramo, M, Gervasio, F.L, Epinat, J.C, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G. | Deposit date: | 2011-12-01 | Release date: | 2012-05-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Non-Specific Protein-DNA Interactions Control I-Crei Target Binding and Cleavage. Nucleic Acids Res., 40, 2012
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4AAE
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![BU of 4aae by Molmil](/molmil-images/mine/4aae) | Crystal structure of the mutant D75N I-CreI in complex with an altered target (The four central bases, 2NN region, are composed by AGCG from 5' to 3') | Descriptor: | 24MER DNA, DNA ENDONUCLEASE I-CREI | Authors: | Molina, R, Redondo, P, Stella, S, Marenchino, M, D'Abramo, M, Gervasio, F.L, Epinat, J.C, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G. | Deposit date: | 2011-12-01 | Release date: | 2012-05-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Non-Specific Protein-DNA Interactions Control I-Crei Target Binding and Cleavage. Nucleic Acids Res., 40, 2012
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1K9S
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![BU of 1k9s by Molmil](/molmil-images/mine/1k9s) | PURINE NUCLEOSIDE PHOSPHORYLASE FROM E. COLI IN COMPLEX WITH FORMYCIN A DERIVATIVE AND PHOSPHATE | Descriptor: | 2-(7-AMINO-6-METHYL-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, 2-HYDROXYMETHYL-5-(7-METHYLAMINO-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-TETRAHYDRO-FURAN-3,4-DIOL, PHOSPHATE ION, ... | Authors: | Koellner, G, Bzowska, A, Wielgus-Kutrowska, B, Luic, M, Steiner, T, Saenger, W, Stepinski, J. | Deposit date: | 2001-10-30 | Release date: | 2001-11-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Open and closed conformation of the E. coli purine nucleoside phosphorylase active center and implications for the catalytic mechanism. J.Mol.Biol., 315, 2002
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4BWT
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![BU of 4bwt by Molmil](/molmil-images/mine/4bwt) | Three-dimensional structure of Paracoccus pantotrophus pseudoazurin at pH 6.5 | Descriptor: | COPPER (II) ION, PSEUDOAZURIN, SULFATE ION | Authors: | Freire, F, Mestre, A, Pinho, J, Najmudin, S, Bonifacio, C, Pauleta, S.R, Romao, M.J. | Deposit date: | 2013-07-04 | Release date: | 2014-07-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Exploring the Surface Determinants of Paracoccus Pantotrophus Pseudoazurin To be Published
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4BXV
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![BU of 4bxv by Molmil](/molmil-images/mine/4bxv) | Three-dimensional structure of the mutant K109A of Paracoccus pantotrophus pseudoazurin at pH 7.0 | Descriptor: | COPPER (II) ION, PSEUDOAZURIN, SULFATE ION | Authors: | Freire, F, Mestre, A, Pinho, J, Najmudin, S, Bonifacio, C, Pauleta, S.R, Romao, M.J. | Deposit date: | 2013-07-15 | Release date: | 2014-07-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Exploring the Surface Determinants of Paracoccus Pantotrophus Pseudoazurin To be Published
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4BWU
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![BU of 4bwu by Molmil](/molmil-images/mine/4bwu) | Three-dimensional structure of the K109A mutant of Paracoccus pantotrophus pseudoazurin at pH 5.5 | Descriptor: | COPPER (II) ION, PSEUDOAZURIN, SULFATE ION | Authors: | Freire, F, Mestre, A, Pinho, J, Najmudin, S, Bonifacio, C, Pauleta, S.R, Romao, M.J. | Deposit date: | 2013-07-04 | Release date: | 2014-07-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Exploring the Surface Determinants of Paracoccus Pantotrophus Pseudoazurin To be Published
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4EUL
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![BU of 4eul by Molmil](/molmil-images/mine/4eul) | Crystal structure of enhanced Green Fluorescent Protein to 1.35A resolution reveals alternative conformations for Glu222 | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Green fluorescent protein, ... | Authors: | Jones, D.D, Arpino, J.A.J, Rizkallah, P.J. | Deposit date: | 2012-04-25 | Release date: | 2012-10-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal structure of enhanced green fluorescent protein to 1.35 a resolution reveals alternative conformations for glu222. Plos One, 7, 2012
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1J8S
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![BU of 1j8s by Molmil](/molmil-images/mine/1j8s) | PAPG ADHESIN RECEPTOR BINDING DOMAIN-UNBOUND FORM | Descriptor: | PYELONEPHRITIC ADHESIN | Authors: | Dodson, K.W, Pinkner, J.S, Rose, T, Magnusson, G, Hultgren, S.J, Waksman, G. | Deposit date: | 2001-05-22 | Release date: | 2001-06-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of the interaction of the pyelonephritic E. coli adhesin to its human kidney receptor. Cell(Cambridge,Mass.), 105, 2001
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1J8R
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![BU of 1j8r by Molmil](/molmil-images/mine/1j8r) | BINARY COMPLEX OF THE PAPG RECEPTOR-BINDING DOMAIN BOUND TO GBO4 RECEPTOR | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, PYELONEPHRITIC ADHESIN | Authors: | Dodson, K.W, Pinkner, J.S, Rose, T, Magnusson, G, Hultgren, S.J, Waksman, G, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2001-05-22 | Release date: | 2001-06-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of the interaction of the pyelonephritic E. coli adhesin to its human kidney receptor. Cell(Cambridge,Mass.), 105, 2001
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