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6EQ0
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BU of 6eq0 by Molmil
Structure of the periplasmic binding protein (PBP) MelB (atu4661) in complex with galactose from agrobacterium tumefacien C58
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Vigouroux, A, Morera, S.
Deposit date:2017-10-12
Release date:2018-04-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The plant defense signal galactinol is specifically used as a nutrient by the bacterial pathogenAgrobacterium fabrum.
J. Biol. Chem., 293, 2018
6EQ1
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BU of 6eq1 by Molmil
Structure of the periplasmic binding protein (PBP) MelB (Atu4661) in complex with stachyose from agrobacterium fabrum C58
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Vigouroux, A, Morera, S.
Deposit date:2017-10-12
Release date:2018-04-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The plant defense signal galactinol is specifically used as a nutrient by the bacterial pathogenAgrobacterium fabrum.
J. Biol. Chem., 293, 2018
6EPY
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BU of 6epy by Molmil
Structure of the PBP MelB (Atu4661) in complex with raffinose from A.fabrum C58
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Periplasmic alpha-galactoside-binding protein, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2017-10-12
Release date:2018-04-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The plant defense signal galactinol is specifically used as a nutrient by the bacterial pathogenAgrobacterium fabrum.
J. Biol. Chem., 293, 2018
1BWB
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BU of 1bwb by Molmil
HIV-1 PROTEASE (V82F/I84V) DOUBLE MUTANT COMPLEXED WITH SD146 OF DUPONT PHARMACEUTICALS
Descriptor: PROTEIN (HIV-1 PROTEASE), [4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE]
Authors:Ala, P, Chang, C.H.
Deposit date:1998-09-22
Release date:1998-09-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with XV638 and SD146, cyclic urea amides with broad specificities.
Biochemistry, 37, 1998
1LQW
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BU of 1lqw by Molmil
Crystal Structure of S.aureus Peptide Deformylase
Descriptor: PEPTIDE DEFORMYLASE PDF1, ZINC ION
Authors:Mikol, V.
Deposit date:2002-05-14
Release date:2002-07-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The crystal structures of four peptide deformylases bound to the antibiotic actinonin reveal two distinct types: a platform for the structure-based design of antibacterial agents.
J.Mol.Biol., 320, 2002
1BWA
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BU of 1bwa by Molmil
HIV-1 PROTEASE (V82F/I84V) DOUBLE MUTANT COMPLEXED WITH XV638 OF DUPONT PHARMACEUTICALS
Descriptor: PROTEIN (HIV-1 PROTEASE), [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-D IYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE]
Authors:Ala, P, Chang, C.H.
Deposit date:1998-09-22
Release date:1998-10-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with XV638 and SD146, cyclic urea amides with broad specificities.
Biochemistry, 37, 1998
1BV9
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BU of 1bv9 by Molmil
HIV-1 PROTEASE (I84V) COMPLEXED WITH XV638 OF DUPONT PHARMACEUTICALS
Descriptor: PROTEIN (HIV-1 PROTEASE), [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-D IYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE]
Authors:Ala, P, Chang, C.H.
Deposit date:1998-09-22
Release date:1998-09-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with XV638 and SD146, cyclic urea amides with broad specificities.
Biochemistry, 37, 1998
3KCP
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BU of 3kcp by Molmil
Crystal structure of interacting Clostridium thermocellum multimodular components
Descriptor: CALCIUM ION, CHLORIDE ION, Cellulosomal-scaffolding protein A, ...
Authors:Adams, J.J, Currie, M.A, Bayer, E.A, Jia, Z, Smith, S.P.
Deposit date:2009-10-21
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Insights into Higher-Order Organization of the Cellulosome Revealed by a Dissect-and-Build Approach: Crystal Structure of Interacting Clostridium thermocellum Multimodular Components
J.Mol.Biol., 396, 2010
3BDM
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BU of 3bdm by Molmil
yeast 20S proteasome:glidobactin A-complex
Descriptor: (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamide, Proteasome component C1, Proteasome component C11, ...
Authors:Groll, M, Dudler, R, Kaiser, M.
Deposit date:2007-11-15
Release date:2008-04-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A plant pathogen virulence factor inhibits the eukaryotic proteasome by a novel mechanism
Nature, 452, 2008
2WAM
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BU of 2wam by Molmil
Crystal structure of Mycobacterium tuberculosis unknown function protein Rv2714
Descriptor: CONSERVED HYPOTHETICAL ALANINE AND LEUCINE RICH PROTEIN, GLYCEROL
Authors:Bellinzoni, M, Grana, M, Buschiazzo, A, Miras, I, Haouz, A, Alzari, P.M.
Deposit date:2009-02-09
Release date:2009-10-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of Mycobacterium Tuberculosis Rv2714, a Representative of a Duplicated Gene Family in Actinobacteria.
Acta Crystallogr.,Sect.F, 65, 2009
3HM1
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BU of 3hm1 by Molmil
Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and estrone ((8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one)
Descriptor: (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Rajan, S.S, Kim, Y, Vanek, K, Liwanag, M, Joachimiak, A, Greene, G.L.
Deposit date:2009-05-28
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and estrone ((8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15, 16-octahydro-6H-cyclopenta[a]phenanthren-17-one)
To be Published
6EPZ
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BU of 6epz by Molmil
Structure of the periplasmic binding protein MelB (Atu4661) in complex with melibiose from Agrobacterium fabrum C58
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Vigouroux, A, Morera, S.
Deposit date:2017-10-12
Release date:2018-04-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The plant defense signal galactinol is specifically used as a nutrient by the bacterial pathogenAgrobacterium fabrum.
J. Biol. Chem., 293, 2018
3L03
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BU of 3l03 by Molmil
Crystal Structure of human Estrogen Receptor alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II peptide and Estetrol (Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol)
Descriptor: (14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol, CHLORIDE ION, Estrogen receptor, ...
Authors:Rajan, S.S, Kim, Y, Vanek, K, Joachimiak, A, Greene, G.L.
Deposit date:2009-12-09
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Crystal Structure of human Estrogen Receptor alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II peptide and Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol
To be Published
4J23
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BU of 4j23 by Molmil
Low resolution crystal structure of the FGFR2D2D3/FGF1/SR128545 complex
Descriptor: Fibroblast growth factor 1, Fibroblast growth factor receptor 2
Authors:Kudlinzki, D, Saxena, K, Sreeramulu, S, Schieborr, U, Dreyer, M, Schreuder, H, Schwalbe, H.
Deposit date:2013-02-04
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.882 Å)
Cite:Molecular mechanism of SSR128129E, an extracellularly acting, small-molecule, allosteric inhibitor of FGF receptor signaling.
Cancer Cell, 23, 2013
3UWB
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BU of 3uwb by Molmil
Crystal structure of a probable peptide deformylase from strucynechococcus phage S-SSM7 in complex with actinonin
Descriptor: 1,2-ETHANEDIOL, ACTINONIN, CHLORIDE ION, ...
Authors:Lorimer, D, Abendroth, J, Edwards, T.E, Burgin, A, Segall, A, Rohwer, F.
Deposit date:2011-12-01
Release date:2013-01-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and function of a cyanophage-encoded peptide deformylase.
ISME J, 7, 2013
5PBQ
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BU of 5pbq by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 11)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PC5
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BU of 5pc5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 26)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PCM
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BU of 5pcm by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 43)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PD5
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BU of 5pd5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 61)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PDH
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BU of 5pdh by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 73)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PDY
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BU of 5pdy by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 91)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PEF
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BU of 5pef by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 108)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PBA
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BU of 5pba by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B in complex with N09460a
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-hydroxypyridine-2-carboxylic acid, ...
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.925 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PBH
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BU of 5pbh by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 2)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PBU
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BU of 5pbu by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 15)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017

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