3UWP
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![BU of 3uwp by Molmil](/molmil-images/mine/3uwp) | 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
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3UVP
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![BU of 3uvp by Molmil](/molmil-images/mine/3uvp) | 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
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3UVR
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![BU of 3uvr by Molmil](/molmil-images/mine/3uvr) | 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: |
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3UQ9
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![BU of 3uq9 by Molmil](/molmil-images/mine/3uq9) | 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
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3V4X
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![BU of 3v4x by Molmil](/molmil-images/mine/3v4x) | 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
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3E7J
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![BU of 3e7j by Molmil](/molmil-images/mine/3e7j) | 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
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3W29
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![BU of 3w29 by Molmil](/molmil-images/mine/3w29) | 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
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8QFM
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8QFP
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![BU of 8qfp by Molmil](/molmil-images/mine/8qfp) | |
8QFL
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8QFN
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7AAI
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![BU of 7aai by Molmil](/molmil-images/mine/7aai) | 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
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6RUM
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![BU of 6rum by Molmil](/molmil-images/mine/6rum) | 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
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4EGG
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![BU of 4egg by Molmil](/molmil-images/mine/4egg) | 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
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4EHY
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![BU of 4ehy by Molmil](/molmil-images/mine/4ehy) | 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
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5EXG
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6SO5
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![BU of 6so5 by Molmil](/molmil-images/mine/6so5) | 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
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4EHW
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![BU of 4ehw by Molmil](/molmil-images/mine/4ehw) | 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
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3WDY
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![BU of 3wdy by Molmil](/molmil-images/mine/3wdy) | 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
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6JIA
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![BU of 6jia by Molmil](/molmil-images/mine/6jia) | 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
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4EHX
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![BU of 4ehx by Molmil](/molmil-images/mine/4ehx) | 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
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6CDC
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![BU of 6cdc by Molmil](/molmil-images/mine/6cdc) | 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
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6K0U
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![BU of 6k0u by Molmil](/molmil-images/mine/6k0u) | 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
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4JVM
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![BU of 4jvm by Molmil](/molmil-images/mine/4jvm) | 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
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4D52
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![BU of 4d52 by Molmil](/molmil-images/mine/4d52) | 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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