1T3S
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![BU of 1t3s by Molmil](/molmil-images/mine/1t3s) | Structural Analysis of the Voltage-Dependent Calcium Channel Beta Subunit Functional Core | Descriptor: | Dihydropyridine-sensitive L-type, calcium channel beta-2 subunit, MERCURY (II) ION | Authors: | Opatowsky, Y, Chen, C.-C, Campbell, K.P, Hirsch, J.A. | Deposit date: | 2004-04-27 | Release date: | 2004-05-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analysis of the voltage-dependent calcium channel beta subunit functional core and its complex with the alpha 1 interaction domain. Neuron, 42, 2004
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3GYH
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![BU of 3gyh by Molmil](/molmil-images/mine/3gyh) | Crystal Structure Analysis of S. Pombe ATL in complex with damaged DNA containing POB | Descriptor: | 1-PYRIDIN-3-YLBUTAN-1-ONE, Alkyltransferase-like protein 1, DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'), ... | Authors: | Tubbs, J.L, Arvai, A.S, Tainer, J.A, Shin, D.S. | Deposit date: | 2009-04-03 | Release date: | 2009-06-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Flipping of alkylated DNA damage bridges base and nucleotide excision repair. Nature, 459, 2009
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3J41
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![BU of 3j41 by Molmil](/molmil-images/mine/3j41) | Pseudo-atomic model of the Aquaporin-0/Calmodulin complex derived from electron microscopy | Descriptor: | CALCIUM ION, Calmodulin, Lens fiber major intrinsic protein | Authors: | Reichow, S.L, Clemens, D.M, Freites, J.A, Nemeth-Cahalan, K.L, Heyden, M, Tobias, D.J, Hall, J.E, Gonen, T. | Deposit date: | 2013-05-31 | Release date: | 2013-07-31 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (25 Å) | Cite: | Allosteric mechanism of water-channel gating by Ca(2+)-calmodulin. Nat.Struct.Mol.Biol., 20, 2013
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2C71
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![BU of 2c71 by Molmil](/molmil-images/mine/2c71) | The structure of a family 4 acetyl xylan esterase from Clostridium thermocellum in complex with a magnesium ion. | Descriptor: | GLYCOSIDE HYDROLASE, FAMILY 11:CLOSTRIDIUM CELLULOSOME ENZYME, DOCKERIN TYPE I:POLYSACCHARIDE, ... | Authors: | Taylor, E.J, Turkenburg, P.J, Vincent, F, Brzozowski, A.M, Gloster, T.M, Dupont, C, Shareck, F, Centeno, M.S.J, Prates, J.A.M, Ferreira, L.M.A, Fontes, C.M.G.A, Biely, P, Davies, G.J. | Deposit date: | 2005-11-17 | Release date: | 2006-01-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Structure and Activity of Two Metal-Ion Dependent Acetyl Xylan Esterases Involved in Plant Cell-Wall Degradation Reveals a Close Similarity to Peptidoglycan Deacetylases. J.Biol.Chem., 281, 2006
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4MHA
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![BU of 4mha by Molmil](/molmil-images/mine/4mha) | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1817 | Descriptor: | 2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Zhang, W, Mciver, A, Stashko, M.A, Deryckere, D, Branchford, B.R, Hunter, D, Kireev, D.B, Miley, D.B.M, Norris-Drouin, J, Stewart, W.M, Lee, M, Sather, S, Zhou, Y, Dipaola, J.A, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X. | Deposit date: | 2013-08-29 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis. J.Med.Chem., 56, 2013
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1FKK
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![BU of 1fkk by Molmil](/molmil-images/mine/1fkk) | ATOMIC STRUCTURE OF FKBP12, AN IMMUNOPHILIN BINDING PROTEIN | Descriptor: | FK506 BINDING PROTEIN, SULFATE ION | Authors: | Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A. | Deposit date: | 1995-08-18 | Release date: | 1995-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin. Acta Crystallogr.,Sect.D, 51, 1995
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3K2S
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![BU of 3k2s by Molmil](/molmil-images/mine/3k2s) | Solution structure of double super helix model | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Apolipoprotein A-I, CHOLESTEROL | Authors: | Wu, Z, Gogonea, V, Lee, X, Wagner, M.A, Li, X.-M, Huang, Y, Undurti, A, May, R.P, Haertlein, M, Moulin, M, Gutsche, I, Zaccai, G, Didonato, J.A, Hazen, L.S. | Deposit date: | 2009-09-30 | Release date: | 2010-04-07 | Last modified: | 2024-02-21 | Method: | SOLUTION SCATTERING | Cite: | Double superhelix model of high density lipoprotein. J.Biol.Chem., 284, 2009
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3S9K
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![BU of 3s9k by Molmil](/molmil-images/mine/3s9k) | Crystal structure of the Itk SH2 domain. | Descriptor: | CITRIC ACID, Tyrosine-protein kinase ITK/TSK | Authors: | Joseph, R.E, Ginder, N.D, Hoy, J.A, Nix, J.C, Fulton, B.D, Honzatko, R.B, Andreotti, A.H. | Deposit date: | 2011-06-01 | Release date: | 2012-02-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.354 Å) | Cite: | Structure of the interleukin-2 tyrosine kinase Src homology 2 domain; comparison between X-ray and NMR-derived structures. Acta Crystallogr.,Sect.F, 68, 2012
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3JVA
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![BU of 3jva by Molmil](/molmil-images/mine/3jva) | Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 | Descriptor: | Dipeptide Epimerase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Imker, H, Gerlt, J.A, Almo, S.C. | Deposit date: | 2009-09-16 | Release date: | 2010-08-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily. Proc.Natl.Acad.Sci.USA, 109, 2012
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1EC9
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![BU of 1ec9 by Molmil](/molmil-images/mine/1ec9) | E. COLI GLUCARATE DEHYDRATASE BOUND TO XYLAROHYDROXAMATE | Descriptor: | GLUCARATE DEHYDRATASE, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... | Authors: | Gulick, A.M, Hubbard, B.K, Gerlt, J.A, Rayment, I. | Deposit date: | 2000-01-25 | Release date: | 2000-05-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: crystallographic and mutagenesis studies of the reaction catalyzed by D-glucarate dehydratase from Escherichia coli. Biochemistry, 39, 2000
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3K92
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![BU of 3k92 by Molmil](/molmil-images/mine/3k92) | Crystal structure of a E93K mutant of the majour Bacillus subtilis glutamate dehydrogenase RocG | Descriptor: | DI(HYDROXYETHYL)ETHER, NAD-specific glutamate dehydrogenase | Authors: | Gunka, K, Newman, J.A, Commichau, F.M, Herzberg, C, Rodrigues, C, Hewitt, L, Lewis, R.J, Stulke, J. | Deposit date: | 2009-10-15 | Release date: | 2010-06-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Functional dissection of a trigger enzyme: mutations of the bacillus subtilis glutamate dehydrogenase RocG that affect differentially its catalytic activity and regulatory properties J.Mol.Biol., 400, 2010
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3JW7
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![BU of 3jw7 by Molmil](/molmil-images/mine/3jw7) | Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Ile-L-Tyr | Descriptor: | Dipeptide Epimerase, GLYCEROL, ISOLEUCINE, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Imker, H.J, Sakai, A, Gerlt, J.A, Almo, S.C. | Deposit date: | 2009-09-18 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily. Proc.Natl.Acad.Sci.USA, 109, 2012
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3WIP
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![BU of 3wip by Molmil](/molmil-images/mine/3wip) | Crystal structure of acetylcholine bound to Ls-AChBP | Descriptor: | ACETATE ION, ACETYLCHOLINE, Acetylcholine-binding protein, ... | Authors: | Olsen, J.A, Balle, T, Gajhede, M, Ahring, P.K, Kastrup, J.S. | Deposit date: | 2013-09-24 | Release date: | 2014-04-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular recognition of the neurotransmitter acetylcholine by an acetylcholine binding protein reveals determinants of binding to nicotinic acetylcholine receptors Plos One, 9, 2014
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1FSE
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![BU of 1fse by Molmil](/molmil-images/mine/1fse) | CRYSTAL STRUCTURE OF THE BACILLUS SUBTILIS REGULATORY PROTEIN GERE | Descriptor: | GERE, GLYCEROL, SULFATE ION | Authors: | Ducros, V.M.-A, Lewis, R.J, Verma, C.S, Dodson, E.J, Leonard, G, Turkenburg, J.P, Murshudov, G.N, Wilkinson, A.J, Brannigan, J.A. | Deposit date: | 2000-09-08 | Release date: | 2001-03-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of GerE, the ultimate transcriptional regulator of spore formation in Bacillus subtilis. J.Mol.Biol., 306, 2001
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1TTC
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![BU of 1ttc by Molmil](/molmil-images/mine/1ttc) | |
1FLJ
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![BU of 1flj by Molmil](/molmil-images/mine/1flj) | CRYSTAL STRUCTURE OF S-GLUTATHIOLATED CARBONIC ANHYDRASE III | Descriptor: | CARBONIC ANHYDRASE III, GLUTATHIONE, ZINC ION | Authors: | Mallis, R.J, Poland, B.W, Chatterjee, T.K, Fisher, R.A, Darmawan, S, Honzatko, R.B, Thomas, J.A. | Deposit date: | 2000-08-14 | Release date: | 2000-09-04 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of S-glutathiolated carbonic anhydrase III. FEBS Lett., 482, 2000
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3ZG0
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![BU of 3zg0 by Molmil](/molmil-images/mine/3zg0) | Crystal structure of ceftaroline acyl-PBP2a from MRSA with non- covalently bound ceftaroline and muramic acid at allosteric site obtained by cocrystallization | Descriptor: | CADMIUM ION, CHLORIDE ION, Ceftaroline, ... | Authors: | Otero, L.H, Rojas-Altuve, A, Hermoso, J.A. | Deposit date: | 2012-12-13 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function Proc.Natl.Acad.Sci.USA, 110, 2013
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3ZKC
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![BU of 3zkc by Molmil](/molmil-images/mine/3zkc) | Crystal structure of the master regulator for biofilm formation SinR in complex with DNA. | Descriptor: | 5'-D(*AP*AP*AP*GP*TP*TP*CP*TP*CP*TP*TP*TP*AP*GP *AP*GP*AP*AP*CP*AP*AP)-3', 5'-D(*AP*TP*TP*GP*TP*TP*CP*TP*CP*TP*AP*AP*AP*GP *AP*GP*AP*AP*CP*TP*TP)-3', HTH-TYPE TRANSCRIPTIONAL REGULATOR SINR | Authors: | Newman, J.A, Rodrigues, C, Lewis, R.J. | Deposit date: | 2013-01-22 | Release date: | 2013-03-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Molecular Basis of the Activity of Sinr, the Master Regulator of Biofilm Formation in Bacillus Subtilis. J.Biol.Chem., 288, 2013
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1FDH
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![BU of 1fdh by Molmil](/molmil-images/mine/1fdh) | STRUCTURE OF HUMAN FOETAL DEOXYHAEMOGLOBIN | Descriptor: | HEMOGLOBIN F (DEOXY) (ALPHA CHAIN), HEMOGLOBIN F (DEOXY) (GAMMA CHAIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Frierjunior, J.A. | Deposit date: | 1976-08-18 | Release date: | 1976-08-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of human foetal deoxyhaemoglobin. J.Mol.Biol., 112, 1977
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4X9T
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![BU of 4x9t by Molmil](/molmil-images/mine/4x9t) | Crystal structure of a TctC solute binding protein from Polaromonas (Bpro_3516, Target EFI-510338), no ligand | Descriptor: | CHLORIDE ION, Uncharacterized protein UPF0065 | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-11 | Release date: | 2014-12-24 | Last modified: | 2015-02-11 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystal structure of a TctC solute binding protein from Polaromonas (Bpro_3516, Target EFI-510338), no ligand To be published
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4XEQ
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![BU of 4xeq by Molmil](/molmil-images/mine/4xeq) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (Deval_0042, TARGET EFI-510114) BOUND TO COPURIFIED (R)-PANTOIC ACID | Descriptor: | PANTOATE, TRAP dicarboxylate transporter, DctP subunit | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-24 | Release date: | 2015-01-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (Deval_0042, TARGET EFI-510114) BOUND TO COPURIFIED (R)-PANTOIC ACID To be published
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1G5S
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![BU of 1g5s by Molmil](/molmil-images/mine/1g5s) | CRYSTAL STRUCTURE OF HUMAN CYCLIN DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH THE INHIBITOR H717 | Descriptor: | 2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Dreyer, M.K, Borcherding, D.R, Dumont, J.A, Peet, N.P, Tsay, J.T, Wright, P.S, Bitonti, A.J, Shen, J, Kim, S.-H. | Deposit date: | 2000-11-02 | Release date: | 2001-11-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structure of human cyclin-dependent kinase 2 in complex with the adenine-derived inhibitor H717. J.Med.Chem., 44, 2001
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4XHD
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![BU of 4xhd by Molmil](/molmil-images/mine/4xhd) | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN WITH COMPOUND-1 | Descriptor: | GLYCEROL, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide, Nuclear receptor subfamily 1 group I member 2 | Authors: | Khan, J.A, Camac, D.M. | Deposit date: | 2015-01-05 | Release date: | 2015-01-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR. J.Mol.Biol., 427, 2015
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4XF5
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![BU of 4xf5 by Molmil](/molmil-images/mine/4xf5) | Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound (S)-(+)-2-Amino-1-propanol. | Descriptor: | (2S)-2-aminopropan-1-ol, CHLORIDE ION, Twin-arginine translocation pathway signal | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-26 | Release date: | 2015-01-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound (S)-(+)-2-Amino-1-propanol. To be published
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1FZM
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![BU of 1fzm by Molmil](/molmil-images/mine/1fzm) | MHC CLASS I NATURAL MUTANT H-2KBM8 HEAVY CHAIN COMPLEXED WITH BETA-2 MICROGLOBULIN AND VESICULAR STOMATITIS VIRUS NUCLEOPROTEIN | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rudolph, M.G, Speir, J.A, Brunmark, A, Mattsson, N, Jackson, M.R, Peterson, P.A, Teyton, L, Wilson, I.A. | Deposit date: | 2000-10-03 | Release date: | 2001-03-28 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structures of K(bm1) and K(bm8) reveal that subtle changes in the peptide environment impact thermostability and alloreactivity. Immunity, 14, 2001
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