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7R3H
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BU of 7r3h by Molmil
PROSS optimitzed variant of RhlR (75 mutations) in complex with native autoinducer C4-HSL
Descriptor: N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, PROSS optimized variant of RhlR with 75 mutations
Authors:Henke, S, Blankenfeldt, W.
Deposit date:2022-02-07
Release date:2022-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
8UW8
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BU of 8uw8 by Molmil
Site-one protease and SPRING
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Membrane-bound transcription factor site-1 protease, ...
Authors:Kober, D.L.
Deposit date:2023-11-06
Release date:2024-07-10
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:SPRING licenses S1P-mediated cleavage of SREBP2 by displacing an inhibitory pro-domain.
Nat Commun, 15, 2024
1BBG
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BU of 1bbg by Molmil
RAGWEED POLLEN ALLERGEN FROM AMBROSIA TRIFIDA V, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: POLLEN ALLERGEN 5
Authors:Warren, G.L, Tuner, C.J, Petsko, G.A, Brunger, A.T.
Deposit date:1998-04-24
Release date:1998-06-17
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:A Highly Precise Solution 1H NMR Structure of Ragweed Allergen Amb. T. V
To be Published
4ZL7
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BU of 4zl7 by Molmil
Crystal structure of Pseudomonas aeruginosa DsbA E82I: Crystal I
Descriptor: HEXAETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA
Authors:McMahon, R.M, Martin, J.L.
Deposit date:2015-05-01
Release date:2015-12-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.922 Å)
Cite:Sent packing: protein engineering generates a new crystal form of Pseudomonas aeruginosa DsbA1 with increased catalytic surface accessibility.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
2MBS
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BU of 2mbs by Molmil
NMR solution structure of oxidized KpDsbA
Descriptor: Thiol:disulfide interchange protein
Authors:Kurth, F, Rimmer, K, Premkumar, L, Mohanty, B, Duprez, W, Halili, M.A, Shouldice, S.R, Heras, B, Fairlie, D.P, Scanlon, M.J, Martin, J.L.
Deposit date:2013-08-03
Release date:2013-12-11
Last modified:2024-11-27
Method:SOLUTION NMR
Cite:Comparative Sequence, Structure and Redox Analyses of Klebsiella pneumoniae DsbA Show That Anti-Virulence Target DsbA Enzymes Fall into Distinct Classes.
Plos One, 8, 2013
4EDU
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BU of 4edu by Molmil
The MBT repeats of human SCML2 in a complex with histone H2A peptide
Descriptor: Histone H2A.J peptide, Sex comb on midleg-like protein 2
Authors:Nady, N, Amaya, M.F, Tempel, W, Ravichandran, M, Arrowsmith, C.H.
Deposit date:2012-03-27
Release date:2012-09-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Histone recognition by human malignant brain tumor domains.
J.Mol.Biol., 423, 2012
8IXQ
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BU of 8ixq by Molmil
Structure of glycosyltransferase LmbT in complex with GDP and ergothioneine
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Glycosyltransferase, trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium
Authors:Mori, T, Sun, X, Abe, I.
Deposit date:2023-04-02
Release date:2024-04-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Function Analysis of the S-Glycosylation Reaction in the Biosynthesis of Lincosamide Antibiotics.
Angew.Chem.Int.Ed.Engl., 62, 2023
8ILA
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BU of 8ila by Molmil
Crystal structure of LmbT from Streptomyces lincolnensis NRRL ISP-5355 in complex with substrates
Descriptor: (2~{S})-3-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-1~{H}-imidazol-5-yl]-2-(trimethyl-$l^{4}-azanyl)propanoic acid, GUANOSINE-5'-DIPHOSPHATE, Glycosyltransferase
Authors:Dai, Y, Qiao, H, Xia, M, Fang, P, Liu, W.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural Basis of Low-Molecular-Weight Thiol Glycosylation in Lincomycin A Biosynthesis.
Acs Chem.Biol., 18, 2023
9NNR
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BU of 9nnr by Molmil
GNAT family acetyltransferase EryM in complex with Acetyl-CoA
Descriptor: ACETYL COENZYME *A, GLYCEROL, Lysine N-acyltransferase MbtK, ...
Authors:Li, Y, Smith, J.
Deposit date:2025-03-06
Release date:2025-05-28
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Redefining the role of the EryM acetyltransferase in natural product biosynthetic pathways.
Structure, 2025
9OA7
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BU of 9oa7 by Molmil
GNAT family acetyltransferase EryM SeMet
Descriptor: GLYCEROL, Lysine N-acyltransferase MbtK, MAGNESIUM ION, ...
Authors:Li, Y, Smith, J.
Deposit date:2025-04-19
Release date:2025-05-28
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Redefining the role of the EryM acetyltransferase in natural product biosynthetic pathways.
Structure, 2025
9NNQ
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BU of 9nnq by Molmil
GNAT family acetyltransferase EryM
Descriptor: GLYCEROL, Lysine N-acyltransferase MbtK, MAGNESIUM ION, ...
Authors:Li, Y, Smith, J.
Deposit date:2025-03-06
Release date:2025-05-28
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Redefining the role of the EryM acetyltransferase in natural product biosynthetic pathways.
Structure, 2025
7DFM
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BU of 7dfm by Molmil
Crystal structure of glycoside hydrolase family 11 beta-xylanase from Streptomyces olivaceoviridis E-86
Descriptor: CHLORIDE ION, Endo-1,4-beta-xylanase
Authors:Fujimoto, Z, Kishine, N, Kaneko, S.
Deposit date:2020-11-09
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based substrate specificity analysis of GH11 xylanase from Streptomyces olivaceoviridis E-86.
Appl.Microbiol.Biotechnol., 105, 2021
7DFO
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BU of 7dfo by Molmil
Crystal structure of glycoside hydrolase family 11 beta-xylanase from Streptomyces olivaceoviridis E-86 in complex with 4-O-methyl-alpha-D-glucuronopyranosyl xylotetraose
Descriptor: 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-[beta-D-xylopyranose-(1-4)]beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, CHLORIDE ION, ...
Authors:Fujimoto, Z, Kishine, N, Kaneko, S.
Deposit date:2020-11-09
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based substrate specificity analysis of GH11 xylanase from Streptomyces olivaceoviridis E-86.
Appl.Microbiol.Biotechnol., 105, 2021
6LUI
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BU of 6lui by Molmil
Crystal structure of the SAMD1 WH domain and DNA complex
Descriptor: Atherin, DNA (5'-D(*AP*CP*CP*TP*GP*CP*GP*CP*AP*CP*CP*AP*T)-3'), DNA (5'-D(*AP*TP*GP*GP*TP*GP*CP*GP*CP*AP*GP*GP*T)-3')
Authors:Zhou, Y, Cao, Y, Wang, Z.
Deposit date:2020-01-29
Release date:2021-02-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.781 Å)
Cite:The SAM domain-containing protein 1 (SAMD1) acts as a repressive chromatin regulator at unmethylated CpG islands.
Sci Adv, 7, 2021
5M7G
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BU of 5m7g by Molmil
Tubulin-MTD147 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ...
Authors:Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P.
Deposit date:2016-10-27
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.248 Å)
Cite:Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
1MBT
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BU of 1mbt by Molmil
OXIDOREDUCTASE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYLGLUCOSAMINE REDUCTASE
Authors:Benson, T.E, Walsh, C.T, Hogle, J.M.
Deposit date:1995-11-28
Release date:1996-10-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of the substrate-free form of MurB, an essential enzyme for the synthesis of bacterial cell walls.
Structure, 4, 1996
3MBT
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BU of 3mbt by Molmil
Structure of monomeric Blc from E. coli
Descriptor: Outer membrane lipoprotein blc
Authors:Schiefner, A, Skerra, A.
Deposit date:2010-03-26
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and biochemical analyses reveal a monomeric state of the bacterial lipocalin Blc.
Acta Crystallogr.,Sect.D, 66, 2010
2MBT
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BU of 2mbt by Molmil
NMR study of PaDsbA
Descriptor: Thiol:disulfide interchange protein DsbA
Authors:Rimmer, K, Mohanty, B, Scanlon, M.J.
Deposit date:2013-08-03
Release date:2014-11-12
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1.
PLoS ONE, 12, 2017
2YVE
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BU of 2yve by Molmil
Crystal structure of the methylene blue-bound form of the multi-drug binding transcriptional repressor CgmR
Descriptor: 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, CHLORIDE ION, GLYCEROL, ...
Authors:Itou, H, Shirakihara, Y, Tanaka, I.
Deposit date:2007-04-12
Release date:2008-04-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structures of the Multidrug Binding Repressor Corynebacteriumglutamicum CgmR in Complex with Inducers and with an Operator
J.Mol.Biol., 403, 2010
3EAE
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BU of 3eae by Molmil
PWWP domain of human hepatoma-derived growth factor 2 (HDGF2)
Descriptor: Hepatoma-derived growth factor-related protein 2
Authors:Amaya, M.F, Zeng, H, Mackenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2008-08-25
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
3LYI
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BU of 3lyi by Molmil
PWWP Domain of Human Bromodomain-Containing Protein 1
Descriptor: Bromodomain-containing protein 1, CYSTEINESULFONIC ACID
Authors:Lam, R, Zeng, H, Ni, S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2010-02-26
Release date:2010-03-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011
3MO8
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BU of 3mo8 by Molmil
PWWP Domain of Human Bromodomain and PHD finger-containing protein 1 In Complex with Trimethylated H3K36 Peptide
Descriptor: Histone H3.2 TRIMETHYLATED H3K36 PEPTIDE, Peregrin
Authors:Lam, R, Zeng, H, Ni, S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2010-04-22
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
3L42
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BU of 3l42 by Molmil
PWWP domain of human bromodomain and PHD finger containing protein 1
Descriptor: Peregrin, UNKNOWN ATOM OR ION
Authors:Tempel, W, Zeng, H, Ni, S, Amaya, M.F, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2009-12-18
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
3QBY
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BU of 3qby by Molmil
Crystal structure of the PWWP domain of human Hepatoma-derived growth factor 2
Descriptor: H4K20me3 Histone H4 Peptide, Hepatoma-derived growth factor-related protein 2, SULFATE ION, ...
Authors:Zeng, H, Tempel, W, Amaya, M.F, Adams-Cioaba, M.A, Mackenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-01-14
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
3PMI
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BU of 3pmi by Molmil
PWWP Domain of Human Mutated Melanoma-Associated Antigen 1
Descriptor: DI(HYDROXYETHYL)ETHER, PWWP domain-containing protein MUM1, SULFATE ION, ...
Authors:Lam, R, Zeng, H, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2010-11-17
Release date:2010-12-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011

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