3DN7
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![BU of 3dn7 by Molmil](/molmil-images/mine/3dn7) | Cyclic nucleotide binding regulatory protein from Cytophaga hutchinsonii. | Descriptor: | 1,2-ETHANEDIOL, Cyclic nucleotide binding regulatory protein, GLYCEROL | Authors: | Osipiuk, J, Maltseva, N, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-07-01 | Release date: | 2008-08-26 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystal structure of cyclic nucleotide binding regulatory protein from Cytophaga hutchinsonii. To be Published
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4I9D
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![BU of 4i9d by Molmil](/molmil-images/mine/4i9d) | X-ray structure of NikA in complex with Fe-N,N'-Bis(2-pyridylmethyl)-N-carboxymethyl-N'-methyl | Descriptor: | ACETATE ION, GLYCEROL, Nickel-binding periplasmic protein, ... | Authors: | Cherrier, M.V, Amara, P, Iannello, M, Cavazza, C. | Deposit date: | 2012-12-05 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | An artificial oxygenase built from scratch: substrate binding site identified using a docking approach. Angew.Chem.Int.Ed.Engl., 52, 2013
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4N4I
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![BU of 4n4i by Molmil](/molmil-images/mine/4n4i) | Crystal structure of the Bromo-PWWP of the mouse zinc finger MYND-type containing 11 isoform alpha in complex with histone H3.3K36me3 | Descriptor: | DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, Peptide from Histone H3.3, ... | Authors: | Li, Y, Ren, Y, Li, H. | Deposit date: | 2013-10-08 | Release date: | 2014-03-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | ZMYND11 links histone H3.3K36me3 to transcription elongation and tumour suppression Nature, 508, 2014
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3OHF
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![BU of 3ohf by Molmil](/molmil-images/mine/3ohf) | Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with bms-655295 aka n~3~-((1s,2r)-1- benzyl-2-hydroxy-3-((3-methoxybenzyl)amino)propyl)-n~1~, n~1~-dibutyl-1h-indole-1,3-dicarboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Muckelbauer, J.K. | Deposit date: | 2010-08-17 | Release date: | 2011-04-06 | Last modified: | 2017-03-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis and SAR of indole-and 7-azaindole-1,3-dicarboxamide hydroxyethylamine inhibitors of BACE-1. Bioorg.Med.Chem.Lett., 21, 2011
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4IA6
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![BU of 4ia6 by Molmil](/molmil-images/mine/4ia6) | Hydratase from lactobacillus acidophilus in a ligand bound form (LA LAH) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Khoshnevis, S, Neumann, P, Ficner, R. | Deposit date: | 2012-12-06 | Release date: | 2013-03-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure analysis of a fatty acid double-bond hydratase from Lactobacillus acidophilus Acta Crystallogr.,Sect.D, 69, 2013
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4I3X
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![BU of 4i3x by Molmil](/molmil-images/mine/4i3x) | |
3DWR
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![BU of 3dwr by Molmil](/molmil-images/mine/3dwr) | |
3OH0
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![BU of 3oh0 by Molmil](/molmil-images/mine/3oh0) | Protein structure of USP from L. major bound to URIDINE-5'-TRIPHOSPHATE | Descriptor: | GLYCEROL, UDP-sugar pyrophosphorylase, URIDINE 5'-TRIPHOSPHATE | Authors: | Dickmanns, A, Damerow, S, Neumann, P, Schulz, E.-C, Lamerz, A, Routier, F, Ficner, R. | Deposit date: | 2010-08-17 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis for the broad substrate range of the UDP-sugar pyrophosphorylase from Leishmania major. J.Mol.Biol., 405, 2011
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4N5L
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3DX2
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![BU of 3dx2 by Molmil](/molmil-images/mine/3dx2) | Golgi mannosidase II complex with MANNOSTATIN B | Descriptor: | (1R,2R,3R,4S,5R)-4-amino-5-[(R)-methylsulfinyl]cyclopentane-1,2,3-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | Authors: | Kuntz, D.A, Zhong, W, Guo, J, Rose, D.R, Boons, G.-J. | Deposit date: | 2008-07-23 | Release date: | 2009-07-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A. Chembiochem, 10, 2009
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3DP7
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![BU of 3dp7 by Molmil](/molmil-images/mine/3dp7) | CRYSTAL STRUCTURE OF SAM-dependent methyltransferase from Bacteroides vulgatus ATCC 8482 | Descriptor: | SAM-dependent methyltransferase | Authors: | Malashkevich, V.N, Toro, R, Ramagopal, U, Meyer, A.J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-07-07 | Release date: | 2008-07-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | CRYSTAL STRUCTURE OF SAM-dependent methyltransferase from Bacteroides vulgatus ATCC 8482 To be Published
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3DPO
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4I74
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![BU of 4i74 by Molmil](/molmil-images/mine/4i74) | Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with compound UAMC-00312 and allosterically inhibited by a Ni2+ ion | Descriptor: | (2R,3R,4S)-2-(hydroxymethyl)-1-[(4-hydroxythieno[3,2-d]pyrimidin-7-yl)methyl]pyrrolidine-3,4-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Giannese, F, Degano, M. | Deposit date: | 2012-11-30 | Release date: | 2013-08-07 | Last modified: | 2013-12-18 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structures of purine nucleosidase from Trypanosoma brucei bound to isozyme-specific trypanocidals and a novel metalorganic inhibitor Acta Crystallogr.,Sect.D, 69, 2013
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2HI0
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![BU of 2hi0 by Molmil](/molmil-images/mine/2hi0) | |
4I7L
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![BU of 4i7l by Molmil](/molmil-images/mine/4i7l) | T4 Lysozyme L99A/M102H with phenol bound | Descriptor: | 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-11-30 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
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4N6V
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![BU of 4n6v by Molmil](/molmil-images/mine/4n6v) | Partial rotational order disorder structure of human stefin B | Descriptor: | Cystatin-B, SULFATE ION | Authors: | Renko, M, Taler-Vercic, A, Mihelic, M, Zerovnik, E, Turk, D. | Deposit date: | 2013-10-14 | Release date: | 2014-04-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Partial rotational lattice order-disorder in stefin B crystals. Acta Crystallogr.,Sect.D, 70, 2014
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2Q27
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![BU of 2q27 by Molmil](/molmil-images/mine/2q27) | Crystal structure of oxalyl-coA decarboxylase from Escherichia coli | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ... | Authors: | Werther, T, Zimmer, A, Wille, G, Hubner, G, Weiss, M.S, Konig, S. | Deposit date: | 2007-05-26 | Release date: | 2008-06-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | New insights into structure-function relationships of oxalyl CoA decarboxylase from Escherichia coli. Febs J., 277, 2010
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4I81
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![BU of 4i81 by Molmil](/molmil-images/mine/4i81) | Crystal Structure of ATPgS bound ClpX Hexamer | Descriptor: | ATP-dependent Clp protease ATP-binding subunit ClpX, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SULFATE ION | Authors: | Glynn, S.E, Nager, A.R, Stinson, B.S, Schmitz, K.R, Baker, T.A, Sauer, R.T. | Deposit date: | 2012-12-01 | Release date: | 2013-05-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.8182 Å) | Cite: | Nucleotide Binding and Conformational Switching in the Hexameric Ring of a AAA+ Machine. Cell(Cambridge,Mass.), 153, 2013
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3DZ7
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![BU of 3dz7 by Molmil](/molmil-images/mine/3dz7) | Human AdoMetDC with 5'-[(carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine | Descriptor: | 1,4-DIAMINOBUTANE, 2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide, S-adenosylmethionine decarboxylase alpha chain, ... | Authors: | Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E. | Deposit date: | 2008-07-29 | Release date: | 2009-03-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine J.Med.Chem., 52, 2009
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3OKU
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![BU of 3oku by Molmil](/molmil-images/mine/3oku) | Human Carbonic Anhydrase II in complex with 2-Ethylestrone-3-O-sulfamate | Descriptor: | (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. | Deposit date: | 2010-08-25 | Release date: | 2011-07-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds LETT.DRUG DES.DISCOVERY, 8, 2011
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4N8Y
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![BU of 4n8y by Molmil](/molmil-images/mine/4n8y) | Crystal structure of a trap periplasmic solute binding protein from bradyrhizobium sp. btai1 b (bbta_0128), target EFI-510056 (bbta_0128), complex with alpha/beta-d-galacturonate | Descriptor: | Putative TRAP-type C4-dicarboxylate transport system, binding periplasmic protein (DctP subunit), alpha-D-galactopyranuronic acid, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-10-18 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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3DZW
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![BU of 3dzw by Molmil](/molmil-images/mine/3dzw) | |
2PQN
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4MPW
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![BU of 4mpw by Molmil](/molmil-images/mine/4mpw) | Human beta-tryptase co-crystal structure with [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzofuran-3,5-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) | Descriptor: | ACETATE ION, CHLORIDE ION, TRIETHYLENE GLYCOL, ... | Authors: | White, A, Stein, A.J, Suto, R. | Deposit date: | 2013-09-13 | Release date: | 2015-03-18 | Last modified: | 2019-09-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Novel, Nonpeptidic, Orally Active Bivalent Inhibitor of Human beta-Tryptase. Pharmacology, 102, 2018
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4MQA
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![BU of 4mqa by Molmil](/molmil-images/mine/4mqa) | Human beta-tryptase co-crystal structure with {(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)benzene-3,1-diyl]}bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) | Descriptor: | SULFATE ION, TETRAETHYLENE GLYCOL, Tryptase alpha/beta-1, ... | Authors: | White, A, Lakshminarasimhan, D, Suto, R. | Deposit date: | 2013-09-16 | Release date: | 2015-03-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Target-directed self-assembly of homodimeric drugs To be Published
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