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2Q8P
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Crystal Structure of selenomethionine labelled S. aureus IsdE complexed with heme
Descriptor: Iron-regulated surface determinant E, PROTOPORPHYRIN IX CONTAINING FE
Authors:Grigg, J.C, Murphy, M.E.
Deposit date:2007-06-11
Release date:2007-07-31
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Heme Coordination by Staphylococcus aureus IsdE.
J.Biol.Chem., 282, 2007
7F8G
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BU of 7f8g by Molmil
Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase
Descriptor: 3-phenoxy-~{N}-[(~{E})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide, Eyes absent homolog 2
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2021-07-02
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.491 Å)
Cite:Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase.
Protein Sci., 31, 2022
7LUU
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BU of 7luu by Molmil
Kinetic and Structural Characterization of the First B3 Metallo-beta-Lactamase with an Active Site Glutamic Acid
Descriptor: GLYCEROL, SULFATE ION, Subclass B3 metallo-beta-lactamase, ...
Authors:Wilson, L, Knaven, E, Morris, M.T, Schenk, G.
Deposit date:2021-02-23
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Kinetic and Structural Characterization of the First B3 Metallo-beta-Lactamase with an Active-Site Glutamic Acid.
Antimicrob.Agents Chemother., 65, 2021
1SQ3
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BU of 1sq3 by Molmil
Crystal structures of a novel open pore ferritin from the hyperthermophilic Archaeon Archaeoglobus fulgidus.
Descriptor: FE (III) ION, ferritin
Authors:Johnson, E, Cascio, D, Michael, S, Schroder, I.
Deposit date:2004-03-17
Release date:2005-04-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of a tetrahedral open pore ferritin from the hyperthermophilic archaeon Archaeoglobus fulgidus.
Structure, 13, 2005
4PJ7
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BU of 4pj7 by Molmil
Structure of human MR1-5-OP-RU in complex with human MAIT TRBV6-4 TCR
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ...
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2014-05-12
Release date:2014-07-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
3P5Y
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BU of 3p5y by Molmil
Crystal structure of the mutant T159A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP
Descriptor: 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C.
Deposit date:2010-10-11
Release date:2011-09-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
2GML
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BU of 2gml by Molmil
Crystal Structure of Catalytic Domain of E.coli RluF
Descriptor: Ribosomal large subunit pseudouridine synthase F
Authors:Sunita, S, Zhenxing, H, Swaathi, J, Cygler, M, Matte, A, Sivaraman, J.
Deposit date:2006-04-06
Release date:2006-07-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Domain Organization and Crystal Structure of the Catalytic Domain of E.coli RluF, a Pseudouridine Synthase that Acts on 23S rRNA
J.Mol.Biol., 359, 2006
7FCS
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BU of 7fcs by Molmil
Crystal structure of the N-terminal domain of mutants of Human Apolipoprotein-E (ApoE)
Descriptor: Apolipoprotein E, SODIUM ION
Authors:Cherakara, S, Kumar, A, Garai, K, Ghosh, B.
Deposit date:2021-07-15
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the N-terminal domain of mutants of Human Apolipoprotein-E (ApoE)
To be published
3OZW
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BU of 3ozw by Molmil
The Crystal Structure of flavohemoglobin from R. eutrophus in complex with ketoconazole
Descriptor: 1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-3-[HEXADECANAL-1-YL]-GLYCEROL, 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:El Hammi, E, Warkentin, E, Demmer, U, Ermler, U, Baciou, L.
Deposit date:2010-09-27
Release date:2011-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of Ralstonia eutropha Flavohemoglobin in Complex with Three Antibiotic Azole Compounds.
Biochemistry, 50, 2011
3P5Z
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BU of 3p5z by Molmil
Crystal structure of the mutant T159S of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP
Descriptor: 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, N-PROPANOL, ...
Authors:Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C.
Deposit date:2010-10-11
Release date:2011-09-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
5TMS
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BU of 5tms by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Cyclofenil-ASC derivative, ethyl (E)-3-(4-(bicyclo[3.3.1]nonan-9-ylidene(4-hydroxyphenyl)methyl)phenyl)acrylate
Descriptor: Estrogen receptor, Nuclear receptor coactivator 2, ethyl 3-(4-{[(1s,5s)-bicyclo[3.3.1]nonan-9-ylidene](4-hydroxyphenyl)methyl}phenyl)prop-2-enoate
Authors:Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
3OZV
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BU of 3ozv by Molmil
The Crystal Structure of flavohemoglobin from R. eutrophus in complex with econazole
Descriptor: 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE, 1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-3-[HEXADECANAL-1-YL]-GLYCEROL, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:El Hammi, E, Warkentin, E, Demmer, U, Ermler, U, Baciou, L.
Deposit date:2010-09-27
Release date:2011-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Ralstonia eutropha Flavohemoglobin in Complex with Three Antibiotic Azole Compounds.
Biochemistry, 50, 2011
3ZHD
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BU of 3zhd by Molmil
The crystal structure of single domain antibody 8-4 scaffold.
Descriptor: MG8-4 SCAFFOLD ANTIBODY, SULFATE ION
Authors:Song, H.-N, Woo, E.-J, Lim, H.-K.
Deposit date:2012-12-21
Release date:2014-01-08
Last modified:2014-07-16
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:Directed Evolution of Human Heavy Chain Variable Domain (Vh) Using in Vivo Protein Fitness Filter.
Plos One, 9, 2014
3P60
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BU of 3p60 by Molmil
Crystal structure of the mutant T159V of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP
Descriptor: 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-monophosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C.
Deposit date:2010-10-11
Release date:2011-09-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
1Q0Q
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BU of 1q0q by Molmil
Crystal structure of DXR in complex with the substrate 1-deoxy-D-xylulose-5-phosphate
Descriptor: 1-DEOXY-D-XYLULOSE-5-PHOSPHATE, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C.
Deposit date:2003-07-17
Release date:2004-07-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
1XK7
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BU of 1xk7 by Molmil
Crystal Structure- C2 form- of Escherichia coli Crotonobetainyl-CoA: carnitine CoA transferase (CaiB)
Descriptor: Crotonobetainyl-CoA:carnitine CoA-transferase
Authors:Rangarajan, E.S, Li, Y, Iannuzzi, P, Cygler, M, Matte, A, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2004-09-27
Release date:2005-03-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Escherichia coli Crotonobetainyl-CoA: Carnitine CoA-Transferase (CaiB) and Its Complexes with CoA and Carnitinyl-CoA.
Biochemistry, 44, 2005
239L
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BU of 239l by Molmil
THE RESPONSE OF T4 LYSOZYME TO LARGE-TO-SMALL SUBSTITUTIONS WITHIN THE CORE AND ITS RELATION TO THE HYDROPHOBIC EFFECT
Descriptor: CHLORIDE ION, T4 LYSOZYME
Authors:Xu, J, Baase, W.A, Baldwin, E, Matthews, B.W.
Deposit date:1997-10-23
Release date:1998-03-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The response of T4 lysozyme to large-to-small substitutions within the core and its relation to the hydrophobic effect.
Protein Sci., 7, 1998
3OZU
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BU of 3ozu by Molmil
The Crystal Structure of flavohemoglobin from R. eutrophus in complex with miconazole
Descriptor: 1-[(2R)-2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, FLAVIN-ADENINE DINUCLEOTIDE, Flavohemoprotein, ...
Authors:El Hammi, E, Warkentin, E, Demmer, U, Ermler, U, Baciou, L.
Deposit date:2010-09-27
Release date:2011-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Ralstonia eutropha Flavohemoglobin in Complex with Three Antibiotic Azole Compounds.
Biochemistry, 50, 2011
2QB3
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BU of 2qb3 by Molmil
Structural Studies Reveal the Inactivation of E. coli L-Aspartate Aminotransferase by (s)-4,5-dihydro-2-thiophenecarboxylic acid (SADTA) via Two Mechanisms (at pH 7.5)
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ...
Authors:Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D.
Deposit date:2007-06-15
Release date:2007-12-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Inactivation of Escherichia coli L-aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acid reveals "a tale of two mechanisms".
Biochemistry, 46, 2007
2AX6
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BU of 2ax6 by Molmil
Crystal Structure Of The Androgen Receptor Ligand Binding Domain T877A Mutant In Complex With Hydroxyflutamide
Descriptor: Androgen receptor, HYDROXYFLUTAMIDE
Authors:Bohl, C.E, Miller, D.D, Chen, J, Bell, C.E, Dalton, J.T.
Deposit date:2005-09-03
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis for Accommodation of Nonsteroidal Ligands in the Androgen Receptor
J.Biol.Chem., 280, 2005
2AXA
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BU of 2axa by Molmil
Crystal Structure Of The Androgen Receptor Ligand Binding Domain In Complex With S-1
Descriptor: Androgen receptor, S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
Authors:Bohl, C.E, Miller, D.D, Chen, J, Bell, C.E, Dalton, J.T.
Deposit date:2005-09-03
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Accommodation of Nonsteroidal Ligands in the Androgen Receptor
J.Biol.Chem., 280, 2005
2JHG
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BU of 2jhg by Molmil
Structural evidence for a ligand coordination switch in liver alcohol dehydrogenase
Descriptor: 2-METHYLPROPANAMIDE, ALCOHOL DEHYDROGENASE E CHAIN, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Meijers, R, Adolph, H.W, Dauter, Z, Wilson, K.S, Lamzin, V.S, Cedergren-Zeppezauer, E.S.
Deposit date:2007-02-22
Release date:2007-04-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural Evidence for a Ligand Coordination Switch in Liver Alcohol Dehydrogenase
Biochemistry, 46, 2007
2QA3
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BU of 2qa3 by Molmil
Structural Studies Reveal the Inactivation of E. coli L-aspartate aminotransferase by (S)-4,5-amino-dihydro-2-thiophenecarboxylic acid (SADTA) via two mechanisms (at pH6.5)
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ...
Authors:Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D.
Deposit date:2007-06-14
Release date:2007-12-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inactivation of Escherichia coli L-aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acid reveals "a tale of two mechanisms".
Biochemistry, 46, 2007
3UAJ
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BU of 3uaj by Molmil
Crystal structure of the envelope glycoprotein ectodomain from dengue virus serotype 4 in complex with the fab fragment of the chimpanzee monoclonal antibody 5H2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, monoclonal antibody 5H2, ...
Authors:Cockburn, J.J.B, Stura, E.A, Navarro-Sanchez, M.E, Rey, F.A.
Deposit date:2011-10-21
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.232 Å)
Cite:Structural insights into the neutralization mechanism of a higher primate antibody against dengue virus.
Embo J., 31, 2012
4ZP0
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BU of 4zp0 by Molmil
Crystal structure of E. coli multidrug transporter MdfA in complex with deoxycholate
Descriptor: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, LAURYL DIMETHYLAMINE-N-OXIDE, Multidrug transporter MdfA
Authors:Zhang, X.C, Heng, J, Zhao, Y, Wang, X.
Deposit date:2015-05-07
Release date:2015-08-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate-bound structure of the E. coli multidrug resistance transporter MdfA
Cell Res., 25, 2015

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