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3UWP
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BU of 3uwp by Molmil
Crystal structure of Dot1l in complex with 5-iodotubercidin
Descriptor: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2011-12-02
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
3UVP
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BU of 3uvp by Molmil
Human p38 MAP Kinase in Complex with a Benzamide Substituted Benzosuberone
Descriptor: Mitogen-activated protein kinase 14, N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide, octyl beta-D-glucopyranoside
Authors:Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D.
Deposit date:2011-11-30
Release date:2012-11-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Targeting the Hinge Glycine Flip and the Activation Loop: Novel Approach to Potent p38 alpha Inhibitors.
J.Med.Chem., 55, 2012
3UVR
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BU of 3uvr by Molmil
Human p38 MAP Kinase in Complex with KM064
Descriptor: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Richters, A, Mayer-Wrangowski, S.C, Gruetter, C, Rauh, D.
Deposit date:2011-11-30
Release date:2012-12-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:

3UQ9
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BU of 3uq9 by Molmil
Adenosine kinase from Schistosoma mansoni in complex with tubercidin
Descriptor: '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase, putative, ...
Authors:Romanello, L, Cassago, A, Bachega, F.R, Garatt, R.C, DeMarco, R, Pereira, H.M.
Deposit date:2011-11-19
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.343 Å)
Cite:Adenosine kinase from Schistosoma mansoni: structural basis for the differential incorporation of nucleoside analogues.
Acta Crystallogr.,Sect.D, 69, 2013
3V4X
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BU of 3v4x by Molmil
The Biochemical and Structural Basis for Inhibition of Enterococcus faecalis HMG-CoA Synthase, mvaS, by Hymeglusin
Descriptor: (7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid, HMG-CoA synthase
Authors:Skaff, D.A, Ramyar, K.X, McWhorter, W.J, Geisbrecht, B.V, Miziorko, H.M.
Deposit date:2011-12-15
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Biochemical and structural basis for inhibition of Enterococcus faecalis hydroxymethylglutaryl-CoA synthase, mvaS, by hymeglusin.
Biochemistry, 51, 2012
3E7J
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BU of 3e7j by Molmil
HeparinaseII H202A/Y257A double mutant complexed with a heparan sulfate tetrasaccharide substrate
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Heparinase II protein, ...
Authors:Shaya, D, Cygler, M.
Deposit date:2008-08-18
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Catalytic mechanism of heparinase II investigated by site-directed mutagenesis and the crystal structure with its substrate.
J.Biol.Chem., 285, 2010
3W29
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BU of 3w29 by Molmil
The high-resolution crystal structure of TsXylA, intracellular xylanase from /Thermoanaerobacterium saccharolyticum JW/SL-YS485/: the complex of the E251A mutant with xylotetraose
Descriptor: Glycoside hydrolase family 10, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose
Authors:Han, X, Gao, J, Shang, N, Huang, C.-H, Ko, T.-P, Zhu, Z, Wiegel, J, Shao, W, Guo, R.-T.
Deposit date:2012-11-27
Release date:2013-04-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural and functional analyses of catalytic domain of GH10 xylanase from Thermoanaerobacterium saccharolyticum JW/SL-YS485
Proteins, 81, 2013
8QFM
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BU of 8qfm by Molmil
Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with manganese
Descriptor: 1,2-ETHANEDIOL, Cysteine dioxygenase, DI(HYDROXYETHYL)ETHER, ...
Authors:Vasseur, C.M, Seebeck, F.P.
Deposit date:2023-09-04
Release date:2023-12-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
8QFP
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BU of 8qfp by Molmil
Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with manganese and in presence of catalase anaerobic
Descriptor: CHLORIDE ION, Cysteine dioxygenase, MAGNESIUM ION, ...
Authors:Vasseur, C.M, Seebeck, F.P.
Deposit date:2023-09-04
Release date:2023-12-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
8QFL
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BU of 8qfl by Molmil
Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with iron
Descriptor: ACETATE ION, Cysteine dioxygenase, FE (III) ION, ...
Authors:Vasseur, C.M, Seebeck, F.P.
Deposit date:2023-09-04
Release date:2023-12-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
8QFN
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BU of 8qfn by Molmil
Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with manganese and in presence of catalase aerobic
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Cysteine dioxygenase, ...
Authors:Vasseur, C.M, Seebeck, F.P.
Deposit date:2023-09-04
Release date:2023-12-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
7AAI
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BU of 7aai by Molmil
Crystal structure of Human serum albumin in complex with perfluorooctanoic acid (PFOA) at 2.10 Angstrom Resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ...
Authors:Maso, L, Liberi, S, Trande, M, Angelini, A, Cendron, L.
Deposit date:2020-09-04
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Unveiling the binding mode of perfluorooctanoic acid to human serum albumin.
Protein Sci., 30, 2021
6RUM
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BU of 6rum by Molmil
Crystal structure of GFP-LAMA-G97 - a GFP enhancer nanobody with cpDHFR insertion and TMP and NADPH
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GFP-LAMA-G97 a GFP enhancer nanobody with cpDHFR insertion, ...
Authors:Farrants, H, Tarnawski, M, Mueller, T.G, Otsuka, S, Hiblot, J, Koch, B, Kueblbeck, M, Kraeusslich, H.-G, Ellenberg, J, Johnsson, K.
Deposit date:2019-05-28
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Chemogenetic Control of Nanobodies.
Nat.Methods, 17, 2020
4EGG
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BU of 4egg by Molmil
Computationally Designed Self-assembling tetrahedron protein, T310
Descriptor: GLYCEROL, Putative acetyltransferase SACOL2570
Authors:Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O.
Deposit date:2012-03-30
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
4EHY
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BU of 4ehy by Molmil
Crystal structure of LpxK from Aquifex aeolicus in complex with ADP/Mg2+ at 2.2 angstrom resolution
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
Authors:Emptage, R.P, Daughtry, K.D, Pemble IV, C.W, Raetz, C.R.H.
Deposit date:2012-04-04
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Crystal structure of LpxK, the 4'-kinase of lipid A biosynthesis and atypical P-loop kinase functioning at the membrane interface.
Proc.Natl.Acad.Sci.USA, 109, 2012
5EXG
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BU of 5exg by Molmil
Crystal structure of recombinant dimeric Banana lectin
Descriptor: BROMIDE ION, GLYCEROL, Ripening-associated protein
Authors:Struwe, W.B, Allison, T.A, Robinson, C.V, Benesch, J.L.P.B.
Deposit date:2015-11-23
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Glycan cluster recognition by a potent anti-HIV lectin exploiting bidentate binding amplified by tetrameric architecture
To Be Published
6SO5
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BU of 6so5 by Molmil
Homo sapiens WRB/CAML heterotetramer in complex with a TRC40 dimer
Descriptor: ATPase ASNA1, Calcium signal-modulating cyclophilin ligand, Tail-anchored protein insertion receptor WRB, ...
Authors:McDowell, M.A, Heimes, M, Wild, K, Flemming, D, Sinning, I.
Deposit date:2019-08-29
Release date:2020-09-09
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural Basis of Tail-Anchored Membrane Protein Biogenesis by the GET Insertase Complex.
Mol.Cell, 80, 2020
4EHW
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BU of 4ehw by Molmil
Crystal structure of LpxK from Aquifex aeolicus at 2.3 angstrom resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Tetraacyldisaccharide 4'-kinase
Authors:Emptage, R.P, Daughtry, K.D, Pemble IV, C.W, Raetz, C.R.H.
Deposit date:2012-04-04
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of LpxK, the 4'-kinase of lipid A biosynthesis and atypical P-loop kinase functioning at the membrane interface.
Proc.Natl.Acad.Sci.USA, 109, 2012
3WDY
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BU of 3wdy by Molmil
The complex structure of E113A with cellotetraose
Descriptor: Beta-1,3-1,4-glucanase, SULFATE ION, beta-D-glucopyranose, ...
Authors:Cheng, Y.S, Huang, C.H, Chen, C.C, Huang, T.Y, Ko, T.P, Huang, J.W, Wu, T.H, Liu, J.R, Guo, R.T.
Deposit date:2013-06-25
Release date:2014-07-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural and mutagenetic analyses of a 1,3-1,4-beta-glucanase from Paecilomyces thermophila
Biochim.Biophys.Acta, 1844, 2014
6JIA
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BU of 6jia by Molmil
Marine bacterial laminarinase mutant E135A complex with laminaritetraose
Descriptor: CALCIUM ION, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose, laminarinase
Authors:Yang, J, Xu, Y, Miyakawa, T, Tanokura, M, Long, L.
Deposit date:2019-02-20
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis for Substrate Recognition and Catalysis by a Marine Bacterial Laminarinase.
Appl.Environ.Microbiol., 86, 2020
4EHX
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BU of 4ehx by Molmil
Crystal structure of LpxK from Aquifex aeolicus at 1.9 angstrom resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Emptage, R.P, Daughtry, K.D, Pemble IV, C.W, Raetz, C.R.H.
Deposit date:2012-04-04
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of LpxK, the 4'-kinase of lipid A biosynthesis and atypical P-loop kinase functioning at the membrane interface.
Proc.Natl.Acad.Sci.USA, 109, 2012
6CDC
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BU of 6cdc by Molmil
GID4 in complex with a tetrapeptide
Descriptor: Glucose-induced degradation protein 4 homolog, Tetrapeptide PGLW, UNKNOWN ATOM OR ION
Authors:Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-02-08
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway.
Nat. Chem. Biol., 14, 2018
6K0U
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BU of 6k0u by Molmil
Catalytic domain of GH87 alpha-1,3-glucanase D1068A in complex with tetrasaccharides
Descriptor: Alpha-1,3-glucanase, CALCIUM ION, SULFATE ION, ...
Authors:Itoh, T, Intuy, R, Suyotha, W, Hayashi, J, Yano, S, Makabe, K, Wakayama, M, Hibi, T.
Deposit date:2019-05-07
Release date:2019-12-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insights into substrate recognition and catalysis by glycoside hydrolase family 87 alpha-1,3-glucanase from Paenibacillus glycanilyticus FH11.
Febs J., 287, 2020
4JVM
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BU of 4jvm by Molmil
Crystal structure of human estrogen sulfotransferase (SULT1E1) in complex with inactive cofactor PAP and brominated flame retardant TBBPA (tetrabromobisphenol A)
Descriptor: 1,2-ETHANEDIOL, 4,4'-propane-2,2-diylbis(2,6-dibromophenol), ADENOSINE-3'-5'-DIPHOSPHATE, ...
Authors:Gosavi, R.A, Knudsen, G.A, Birnbaum, L.S, Pedersen, L.C.
Deposit date:2013-03-25
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:Mimicking of Estradiol Binding by Flame Retardants and Their Metabolites: A Crystallographic Analysis.
Environ.Health Perspect., 121, 2013
4D52
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BU of 4d52 by Molmil
CRYSTAL STRUCTURE OF FUCOSE BINDING LECTIN FROM ASPERGILLUS FUMIGATUS (AFL) IN COMPLEX WITH L-GALACTOPYRANOSE.
Descriptor: DI(HYDROXYETHYL)ETHER, FUCOSE-SPECIFIC LECTIN FLEA, SODIUM ION, ...
Authors:Houser, J, Cioci, G, Komarek, J, Wimmerowa, M, Kostlanova, N, Lahmann, M, Varrot, A, Imberty, A.
Deposit date:2014-11-01
Release date:2015-03-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent.
Acta Crystallogr.,Sect.D, 71, 2015

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