5N04
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![BU of 5n04 by Molmil](/molmil-images/mine/5n04) | X-ray crystal structure of an LPMO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ... | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Lo Leggio, L. | Deposit date: | 2017-02-02 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Unliganded and substrate bound structures of the cellooligosaccharide active lytic polysaccharide monooxygenase LsAA9A at low pH. Carbohydr. Res., 448, 2017
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3T3V
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![BU of 3t3v by Molmil](/molmil-images/mine/3t3v) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-87 | Descriptor: | 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | Authors: | Larson, E.T, Merritt, E.A. | Deposit date: | 2011-07-25 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem., 55, 2012
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4DOO
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![BU of 4doo by Molmil](/molmil-images/mine/4doo) | Crystal structure of Arabidopsis thaliana fatty-acid binding protein At3g63170 (AtFAP1) | Descriptor: | Chalcone-flavanone isomerase family protein, LAURIC ACID, POTASSIUM ION | Authors: | Noel, J.P, Pojer, F, Louie, G.V, Bowman, M.E. | Deposit date: | 2012-02-09 | Release date: | 2012-05-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Evolution of the chalcone-isomerase fold from fatty-acid binding to stereospecific catalysis. Nature, 485, 2012
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5MZY
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![BU of 5mzy by Molmil](/molmil-images/mine/5mzy) | Crystal structure of the decarboxylase AibA/AibB in complex with a possible transition state analog | Descriptor: | (1~{R},2~{S})-2-methylcyclohexane-1-carboxylic acid, ACETATE ION, GLYCEROL, ... | Authors: | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | Deposit date: | 2017-02-02 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus. Angew. Chem. Int. Ed. Engl., 56, 2017
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5N2A
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![BU of 5n2a by Molmil](/molmil-images/mine/5n2a) | METHYL-COENZYME M REDUCTASE III FROM METHANOTORRIS FORMICICUS TRIGONAL FORM | Descriptor: | 1-THIOETHANESULFONIC ACID, BROMIDE ION, Coenzyme B, ... | Authors: | Wagner, T, Wegner, C.E, Ermler, U, Shima, S. | Deposit date: | 2017-02-07 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Phylogenetic and Structural Comparisons of the Three Types of Methyl Coenzyme M Reductase from Methanococcales and Methanobacteriales. J.Bacteriol., 199, 2017
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6MAT
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![BU of 6mat by Molmil](/molmil-images/mine/6mat) | Cryo-EM structure of the essential ribosome assembly AAA-ATPase Rix7 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Rix7 mutant, unknown protein | Authors: | Lo, Y.H, Sobhany, M, Hsu, A.L, Ford, B.L, Krahn, J.M, Borgnia, M.J, Stanley, R.E. | Deposit date: | 2018-08-28 | Release date: | 2019-02-06 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-EM structure of the essential ribosome assembly AAA-ATPase Rix7. Nat Commun, 10, 2019
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5MZN
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![BU of 5mzn by Molmil](/molmil-images/mine/5mzn) | Helicase Sen1 | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Leonaite, B, Basquin, J, Conti, E. | Deposit date: | 2017-02-01 | Release date: | 2017-04-19 | Last modified: | 2017-06-14 | Method: | X-RAY DIFFRACTION (1.787 Å) | Cite: | Sen1 has unique structural features grafted on the architecture of the Upf1-like helicase family. EMBO J., 36, 2017
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2Y70
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![BU of 2y70 by Molmil](/molmil-images/mine/2y70) | CRYSTALLOGRAPHIC STRUCTURE OF GM23, MUTANT G89D, AN EXAMPLE OF CATALYTIC MIGRATION FROM TIM TO THIAMIN PHOSPHATE SYNTHASE. | Descriptor: | ACETATE ION, SULFATE ION, TRIOSE-PHOSPHATE ISOMERASE | Authors: | Saab-Rincon, G, Olvera, L, Olvera, M, Rudino-Pinera, E, Soberon, X, Morett, E. | Deposit date: | 2011-01-27 | Release date: | 2011-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Evolutionary Walk between (Beta/Alpha)(8) Barrels: Catalytic Migration from Triosephosphate Isomerase to Thiamin Phosphate Synthase. J.Mol.Biol., 416, 2012
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7KQ8
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![BU of 7kq8 by Molmil](/molmil-images/mine/7kq8) | Structure of iron bound MEMO1 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FE (II) ION, ... | Authors: | Boniecki, M.T, Uhlemann, E.E, Dmitriev, O.Y. | Deposit date: | 2020-11-13 | Release date: | 2021-11-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | MEMO1 binds iron and modulates iron homeostasis in cancer cells. Elife, 13, 2024
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5N00
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![BU of 5n00 by Molmil](/molmil-images/mine/5n00) | Crystal structure of the decarboxylase AibA/AibB C56A variant | Descriptor: | ACETATE ION, Glutaconate CoA-transferase family, subunit A, ... | Authors: | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | Deposit date: | 2017-02-02 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus. Angew. Chem. Int. Ed. Engl., 56, 2017
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1UEX
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![BU of 1uex by Molmil](/molmil-images/mine/1uex) | Crystal structure of von Willebrand Factor A1 domain complexed with snake venom bitiscetin | Descriptor: | bitiscetin alpha chain, bitiscetin beta chain, von Willebrand Factor | Authors: | Maita, N, Nishio, K, Nishimoto, E, Matsui, T, Shikamoto, Y, Morita, T, Sadler, J.E, Mizuno, H. | Deposit date: | 2003-05-22 | Release date: | 2003-09-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structure of von Willebrand factor A1 domain complexed with snake venom, bitiscetin. Insight into glycoprotein Ibalpha binding mechanism induced by snake venom proteins. J.Biol.Chem., 278, 2003
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5N1T
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![BU of 5n1t by Molmil](/molmil-images/mine/5n1t) | Crystal structure of complex between flavocytochrome c and copper chaperone CopC from T. paradoxus | Descriptor: | COPPER (II) ION, CopC, Cytochrome C, ... | Authors: | Osipov, E.M, Lilina, A.V, Tikhonova, T.V, Tsallagov, S.I, Popov, V.O. | Deposit date: | 2017-02-06 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the flavocytochrome c sulfide dehydrogenase associated with the copper-binding protein CopC from the haloalkaliphilic sulfur-oxidizing bacterium Thioalkalivibrio paradoxusARh 1. Acta Crystallogr D Struct Biol, 74, 2018
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5N6F
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![BU of 5n6f by Molmil](/molmil-images/mine/5n6f) | Crystal structure of TGT in complex with guanine fragment | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GUANINE, ... | Authors: | Hassaan, E, Heine, A, Klebe, G. | Deposit date: | 2017-02-15 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.11909521 Å) | Cite: | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies. Chemmedchem, 15, 2020
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6AOK
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![BU of 6aok by Molmil](/molmil-images/mine/6aok) | Crystal structure of Legionella pneumophila effector Ceg4 with N-terminal TEV protease cleavage sequence | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Ceg4, ... | Authors: | Stogios, P.J, Cuff, M.E, Nocek, B, Evdokimova, E, Egorova, O, Yim, V, Di Leo, R, Savchenko, A. | Deposit date: | 2017-08-16 | Release date: | 2018-01-10 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | TheLegionella pneumophilaeffector Ceg4 is a phosphotyrosine phosphatase that attenuates activation of eukaryotic MAPK pathways. J. Biol. Chem., 293, 2018
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5N5T
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![BU of 5n5t by Molmil](/molmil-images/mine/5n5t) | 14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV2 | Descriptor: | 14-3-3 protein sigma, 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol, CHLORIDE ION, ... | Authors: | Sijbesma, E, Leysen, S, Ottmann, C. | Deposit date: | 2017-02-14 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening. Biochemistry, 56, 2017
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3T3U
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![BU of 3t3u by Molmil](/molmil-images/mine/3t3u) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-130 | Descriptor: | 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ... | Authors: | Larson, E.T, Merritt, E.A. | Deposit date: | 2011-07-25 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem., 55, 2012
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1I7T
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![BU of 1i7t by Molmil](/molmil-images/mine/1i7t) | CRYSTAL STRUCTURE OF CLASS I MHC A2 IN COMPLEX WITH PEPTIDE P1049-5V | Descriptor: | 9 RESIDUE PEPTIDE, BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | Authors: | Busslep, J, Zhao, R, Loftus, D, Appella, E, Collins, E.J. | Deposit date: | 2001-03-10 | Release date: | 2001-10-24 | Last modified: | 2021-07-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | T cell activity correlates with oligomeric peptide-major histocompatibility complex binding on T cell surface J.Biol.Chem., 276, 2001
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8ASD
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![BU of 8asd by Molmil](/molmil-images/mine/8asd) | Structure of the SFTSV L protein stalled at late elongation [LATE-ELONGATION] | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, MAGNESIUM ION, RNA (5'-R(P*AP*AP*AP*AP*AP*AP*GP*AP*UP*CP*UP*GP*GP*GP*CP*GP*GP*UP*CP*UP*UP*UP*GP*UP*GP*U)-3'), ... | Authors: | Williams, H.M, Thorkelsson, S.R, Vogel, D, Milewski, M, Busch, C, Cusack, S, Grunewald, K, Quemin, E.R.J, Rosenthal, M. | Deposit date: | 2022-08-19 | Release date: | 2023-01-18 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural insights into viral genome replication by the severe fever with thrombocytopenia syndrome virus L protein. Nucleic Acids Res., 51, 2023
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2IO6
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![BU of 2io6 by Molmil](/molmil-images/mine/2io6) | Wee1 kinase complexed with inhibitor PD330961 | Descriptor: | 9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Wee1-like protein kinase | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | Deposit date: | 2006-10-10 | Release date: | 2007-09-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases. Eur.J.Med.Chem., 43, 2008
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4MZL
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![BU of 4mzl by Molmil](/molmil-images/mine/4mzl) | Crystal Structure of MTIP from Plasmodium falciparum in complex with HBS myoA, a hydrogen bond surrogate myoA helix mimetic | Descriptor: | Myosin A tail domain interacting protein, hydrogen bond surrogate (HBS) myoA helix mimetic | Authors: | Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. | Deposit date: | 2013-09-30 | Release date: | 2013-11-06 | Last modified: | 2023-06-07 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction. Acs Chem.Biol., 8, 2014
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8JHH
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![BU of 8jhh by Molmil](/molmil-images/mine/8jhh) | Glycoside hydrolase family 55 endo-beta-1,3-glucanase from Microdochium nivale | Descriptor: | GLYCEROL, MnLam55A | Authors: | Ota, T, Saburi, W, Yamashita, K, Tagami, T, Yu, J, Komba, S, Jewell, L.E, Hsiang, T, Imai, R, Yao, M, Mori, H. | Deposit date: | 2023-05-23 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular mechanism for endo-type action of glycoside hydrolase family 55 endo-beta-1,3-glucanase on beta 1-3/1-6-glucan. J.Biol.Chem., 299, 2023
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1G6O
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![BU of 1g6o by Molmil](/molmil-images/mine/1g6o) | CRYSTAL STRUCTURE OF THE HELICOBACTER PYLORI ATPASE, HP0525, IN COMPLEX WITH ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CAG-ALPHA, DI(HYDROXYETHYL)ETHER | Authors: | Yeo, H.J, Savvides, S.N, Herr, A.B, Lanka, E, Waksman, G, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2000-11-07 | Release date: | 2001-01-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the hexameric traffic ATPase of the Helicobacter pylori type IV secretion system. Mol.Cell, 6, 2000
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5NKW
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![BU of 5nkw by Molmil](/molmil-images/mine/5nkw) | X-ray crystal structure of an AA9 LPMO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ... | Authors: | Tandrup, T, Frandsen, K.E.H, Poulsen, J.-C.N, Lo Leggio, L. | Deposit date: | 2017-04-03 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structural and electronic determinants of lytic polysaccharide monooxygenase reactivity on polysaccharide substrates. Nat Commun, 8, 2017
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8AFR
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![BU of 8afr by Molmil](/molmil-images/mine/8afr) | Pim1 in complex with 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid and Pimtide | Descriptor: | 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid, Pimtide, Serine/threonine-protein kinase pim-1 | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | Deposit date: | 2022-07-18 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase. Eur.J.Med.Chem., 245, 2023
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6AWP
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![BU of 6awp by Molmil](/molmil-images/mine/6awp) | |