4H37
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![BU of 4h37 by Molmil](/molmil-images/mine/4h37) | Crystal structure of a voltage-gated K+ channel pore domain in a closed state in lipid membranes | Descriptor: | Lmo2059 protein, POTASSIUM ION | Authors: | Santos, J.S, Asmar-Rovira, G.A, Han, G.W, Liu, W, Syeda, R, Cherezov, V, Baker, K.A, Stevens, R.C, Montal, M. | Deposit date: | 2012-09-13 | Release date: | 2012-11-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Crystal Structure of a Voltage-gated K+ Channel Pore Module in a Closed State in Lipid Membranes. J.Biol.Chem., 287, 2012
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1K5S
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![BU of 1k5s by Molmil](/molmil-images/mine/1k5s) | PENICILLIN ACYLASE, MUTANT COMPLEXED WITH PPA | Descriptor: | CALCIUM ION, PENICILLIN G ACYLASE ALPHA SUBUNIT, PENICILLIN G ACYLASE BETA SUBUNIT, ... | Authors: | Hensgens, C.M.H, Keizer, E, Snijder, H.J, Dijkstra, B.W. | Deposit date: | 2001-10-12 | Release date: | 2003-09-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural and kinetic studies on ligand binding in wild-type and active-site mutants of penicillin acylase. Protein Eng.Des.Sel., 17, 2004
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4Y04
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![BU of 4y04 by Molmil](/molmil-images/mine/4y04) | Crystal structure of dipeptidyl peptidase 11 (DPP11) from Porphyromonas gingivalis (Space) | Descriptor: | GLYCEROL, POTASSIUM ION, Peptidase S46 | Authors: | Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Inaka, K, Tanaka, H, Yamada, M, Ohta, K, Nonaka, T, Ogasawara, W, Tanaka, N. | Deposit date: | 2015-02-05 | Release date: | 2015-07-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural and mutational analyses of dipeptidyl peptidase 11 from Porphyromonas gingivalis reveal the molecular basis for strict substrate specificity. Sci Rep, 5, 2015
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3NJ8
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2BRT
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![BU of 2brt by Molmil](/molmil-images/mine/2brt) | ANTHOCYANIDIN SYNTHASE FROM ARABIDOPSIS THALIANA COMPLEXED with naringenin | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, LEUCOANTHOCYANIDIN DIOXYGENASE, ... | Authors: | Turnbull, J.J, Clifton, I.J, Welford, R.W.D, Schofield, C.J. | Deposit date: | 2005-05-11 | Release date: | 2006-08-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Mechanistic Studies on Anthocyanidin Synthase Catalysed Oxidation of Flavanone Substrates: The Effect of C-2 Stereochemistry on Product Selectivity and Mechanism Org.Biomol.Chem., 3, 2005
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4C5R
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![BU of 4c5r by Molmil](/molmil-images/mine/4c5r) | Structural Investigations into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus chinensis | Descriptor: | (3S)-3-amino-2,2-difluoro-3-phenylpropanoic acid, GLYCEROL, PHENYLALANINE AMMONIA-LYASE | Authors: | Wybenga, G.G, Szymanski, W, Wu, B, Feringa, B.L, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 2013-09-16 | Release date: | 2014-05-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structural Investigations Into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus Chinensis. Biochemistry, 53, 2014
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1WAQ
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3N8N
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![BU of 3n8n by Molmil](/molmil-images/mine/3n8n) | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 6 | Descriptor: | (1R,4R,5R)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid, 3-dehydroquinate dehydratase | Authors: | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | Deposit date: | 2010-05-28 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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2I13
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![BU of 2i13 by Molmil](/molmil-images/mine/2i13) | Aart, a six finger zinc finger designed to recognize ANN triplets | Descriptor: | 5'-D(*CP*AP*GP*AP*TP*GP*TP*AP*GP*GP*GP*AP*AP*AP*AP*GP*CP*CP*CP*GP*GP*G)-3', 5'-D(*GP*CP*CP*CP*GP*GP*GP*CP*TP*TP*TP*TP*CP*CP*CP*TP*AP*CP*AP*TP*CP*T)-3', Aart, ... | Authors: | Horton, N.C, Segal, D.J, Bhakta, M, Crotty, J.W, Barbas III, C.F. | Deposit date: | 2006-08-12 | Release date: | 2006-10-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure of Aart, a Designed Six-finger Zinc Finger Peptide, Bound to DNA. J.Mol.Biol., 363, 2006
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5LD0
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![BU of 5ld0 by Molmil](/molmil-images/mine/5ld0) | Chimeric GST | Descriptor: | CHLORIDE ION, Glutathione S-transferase A1,Glutathione S-transferase alpha-2,Glutathione S-transferase A1 | Authors: | Axarli, A, Muleta, A.W, Chronopoulou, E.G, Papageorgiou, A.C, Labrou, N.E. | Deposit date: | 2016-06-23 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Directed evolution of glutathione transferases towards a selective glutathione-binding site and improved oxidative stability. Biochim. Biophys. Acta, 1861, 2017
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1KAM
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![BU of 1kam by Molmil](/molmil-images/mine/1kam) | Structure of Bacillus subtilis Nicotinic Acid Mononucleotide Adenylyl Transferase | Descriptor: | NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE | Authors: | Olland, A.M, Underwood, K.W, Czerwinski, R.M, Lo, M.C, Aulabaugh, A, Bard, J, Stahl, M.L, Somers, W.S, Sullivan, F.X, Chopra, R. | Deposit date: | 2001-11-02 | Release date: | 2002-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification, characterization, and crystal structure of Bacillus subtilis nicotinic acid mononucleotide adenylyltransferase. J.Biol.Chem., 277, 2002
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4GTP
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![BU of 4gtp by Molmil](/molmil-images/mine/4gtp) | FTase in complex with BMS analogue 16 | Descriptor: | 5-{(3R)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ... | Authors: | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | Deposit date: | 2012-08-29 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012
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2C13
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![BU of 2c13 by Molmil](/molmil-images/mine/2c13) | 5-hydroxy-levulinic acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa | Descriptor: | CHLORIDE ION, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Frere, F, Nentwich, M, Gacond, S, Heinz, D.W, Neier, R, Frankenberg-Dinkel, N. | Deposit date: | 2005-09-11 | Release date: | 2006-06-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors. Biochemistry, 45, 2006
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4XAH
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4XG0
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![BU of 4xg0 by Molmil](/molmil-images/mine/4xg0) | Crystal structure of a domain of unknown function (DUF1537) from Bordetella bronchiseptica (BB3215), Target EFI-511620, with bound citrate, domain swapped dimer, space group C2221 | Descriptor: | CHLORIDE ION, CITRIC ACID, SULFATE ION, ... | 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: | 2014-12-30 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars. Proc.Natl.Acad.Sci.USA, 113, 2016
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1W9D
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![BU of 1w9d by Molmil](/molmil-images/mine/1w9d) | S. alba myrosinase in complex with S-ethyl phenylacetothiohydroximate- O-sulfate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Bourderioux, A, Lefoix, M, Gueyrard, D, Tatibouet, A, Cottaz, S, Arzt, S, Burmeister, W.P, Rollin, P. | Deposit date: | 2004-10-08 | Release date: | 2005-05-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Glucosinolate-Myrosinase System. New Insights Into Enzyme-Substrate Interactions by Use of Simplified Inhibitors Org.Biomol.Chem., 3, 2005
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1KEE
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![BU of 1kee by Molmil](/molmil-images/mine/1kee) | Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase by the Antibiotic Acivicin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Carbamoyl-phosphate synthetase large chain, ... | Authors: | Miles, B.W, Thoden, J.B, Holden, H.M, Raushel, F.M. | Deposit date: | 2001-11-15 | Release date: | 2001-12-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inactivation of the amidotransferase activity of carbamoyl phosphate synthetase by the antibiotic acivicin. J.Biol.Chem., 277, 2002
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4GWN
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![BU of 4gwn by Molmil](/molmil-images/mine/4gwn) | Crystal structure of human mature meprin beta | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Arolas, J.L, Broder, C, Jefferson, T, Guevara, T, Sterchi, E.E, Bode, W, Stocker, W, Becker-Pauly, C, Gomis-Ruth, F.X. | Deposit date: | 2012-09-03 | Release date: | 2012-09-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for the sheddase function of human meprin beta metalloproteinase at the plasma membrane Proc.Natl.Acad.Sci.USA, 109, 2012
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1KCB
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![BU of 1kcb by Molmil](/molmil-images/mine/1kcb) | Crystal Structure of a NO-forming Nitrite Reductase Mutant: an Analog of a Transition State in Enzymatic Reaction | Descriptor: | COPPER (II) ION, Nitrite Reductase | Authors: | Liu, S.Q, Chang, T, Liu, M.Y, LeGall, J, Chang, W.C, Zhang, J.P, Liang, D.C, Chang, W.R. | Deposit date: | 2001-11-07 | Release date: | 2003-11-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of a NO-forming nitrite reductase mutant: an analog of a transition state in enzymatic reaction Biochem.Biophys.Res.Commun., 302, 2003
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3SRD
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![BU of 3srd by Molmil](/molmil-images/mine/3srd) | Human M2 pyruvate kinase in complex with fructose 1-6 bisphosphate and Oxalate. | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... | Authors: | Morgan, H.P, O'Reilly, F, Palmer, R, McNae, I.W, Nowicki, M.W, Wear, M.A, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2011-07-07 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.902 Å) | Cite: | Allosetric regulation of M2 pyruvate kinase. To be Published
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2C15
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![BU of 2c15 by Molmil](/molmil-images/mine/2c15) | 5-(4-Carboxy-2-oxo-butoxy)-4-oxo-pentanoic acid acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa | Descriptor: | DELTA-AMINOLEVULINIC ACID DEHYDRATASE, MAGNESIUM ION | Authors: | Frere, F, Nentwich, M, Gacond, S, Heinz, D.W, Neier, R, Frankenberg-Dinkel, N. | Deposit date: | 2005-09-11 | Release date: | 2006-06-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors. Biochemistry, 45, 2006
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4XJ0
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![BU of 4xj0 by Molmil](/molmil-images/mine/4xj0) | Crystal structure of ERK2 in complex with an inhibitor 14K | Descriptor: | 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 | Authors: | Yin, J, Wang, W. | Deposit date: | 2015-01-08 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2. J.Med.Chem., 58, 2015
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1W9Z
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![BU of 1w9z by Molmil](/molmil-images/mine/1w9z) | Structure of Bannavirus VP9 | Descriptor: | VP9 | Authors: | Jaafar, F.M, Attoui, H, Bahar, M.W, Siebold, C, Sutton, G, Mertens, P.P.C, Micco, P, Stuart, D.I, Grimes, J.M, Lamballerie, X. | Deposit date: | 2004-10-21 | Release date: | 2005-04-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | The Structure and Function of the Outer Coat Protein Vp9 of Banna Virus Structure, 13, 2005
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5UHF
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![BU of 5uhf by Molmil](/molmil-images/mine/5uhf) | Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-IX336 | Descriptor: | DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lin, W, Das, K, Feng, Y, Ebright, R.H. | Deposit date: | 2017-01-11 | Release date: | 2017-04-12 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (4.345 Å) | Cite: | Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition. Mol. Cell, 66, 2017
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4XK4
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![BU of 4xk4 by Molmil](/molmil-images/mine/4xk4) | E. coli transcriptional regulator RUTR with dihydrouracil | Descriptor: | DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE, HTH-type transcriptional regulator RutR | Authors: | Shumilin, I.A, Cooper, D.R, Shabalin, I.G, Grabowski, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-01-09 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | E. COLI TRANSCRIPTIONAL REGULATOR RUTR WITH DIHYDROURACIL to be published
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