4CGN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cgn by Molmil](/molmil-images/mine/4cgn) | Leishmania major N-myristoyltransferase in complex with a piperidinylindole inhibitor | Descriptor: | 2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)ethanamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | Authors: | Brannigan, J.A, Roberts, S.M, Bell, A.S, Hutton, J.A, Smith, D.F, Tate, E.W, Leatherbarrow, R.J, Wilkinson, A.J. | Deposit date: | 2013-11-25 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors Iucrj, 1, 2014
|
|
2OAL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oal by Molmil](/molmil-images/mine/2oal) | RebH with bound FAD | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Tryptophan halogenase | Authors: | Blasiak, L.C, Drennan, C.L. | Deposit date: | 2006-12-16 | Release date: | 2007-02-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Chlorination by a long-lived intermediate in the mechanism of flavin-dependent halogenases Biochemistry, 46, 2007
|
|
2OAW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oaw by Molmil](/molmil-images/mine/2oaw) | Structure of SHH variant of "Bergerac" chimera of spectrin SH3 | Descriptor: | CHLORIDE ION, Spectrin alpha chain, brain | Authors: | Gabdoulkhakov, A.G, Gushchina, L.V, Nikulin, A.D, Nikonov, S.V, Viguera, A.R, Serrano, L, Filimonov, V.V. | Deposit date: | 2006-12-18 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and thermodynamic studies of Bergerac-SH3 chimeras. Biophys.Chem., 139, 2009
|
|
2NXZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nxz by Molmil](/molmil-images/mine/2nxz) | HIV-1 gp120 Envelope Glycoprotein (T257S, S334A, S375W) Complexed with CD4 and Antibody 17b | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, ... | Authors: | Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D. | Deposit date: | 2006-11-20 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural definition of a conserved neutralization epitope on HIV-1 gp120. Nature, 445, 2007
|
|
2KJD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2kjd by Molmil](/molmil-images/mine/2kjd) | |
4DPI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dpi by Molmil](/molmil-images/mine/4dpi) | BACE-1 in complex with HEA-macrocyclic inhibitor, MV078512 | Descriptor: | (4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, Beta-secretase 1 | Authors: | Lindberg, J, Borkakoti, N, Derbyshire, D. | Deposit date: | 2012-02-13 | Release date: | 2012-07-11 | Last modified: | 2013-01-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes. Bioorg.Med.Chem., 20, 2012
|
|
2O5K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2o5k by Molmil](/molmil-images/mine/2o5k) | Crystal Structure of GSK3beta in complex with a benzoimidazol inhibitor | Descriptor: | 2-(2,4-DICHLORO-PHENYL)-7-HYDROXY-1H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID [2-(4-METHANESULFONYLAMINO-PHENYL)-ETHYL]-AMIDE, Glycogen synthase kinase-3 beta | Authors: | Shin, D, Lee, S.C, Heo, Y.S, Cho, Y.S, Kim, Y.E, Hyun, Y.L, Cho, J.M, Lee, Y.S, Ro, S. | Deposit date: | 2006-12-06 | Release date: | 2007-10-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Design and synthesis of 7-hydroxy-1H-benzoimidazole derivatives as novel inhibitors of glycogen synthase kinase-3beta Bioorg.Med.Chem.Lett., 17, 2007
|
|
4DYV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dyv by Molmil](/molmil-images/mine/4dyv) | Crystal structure of a short-chain dehydrogenase/reductase SDR from Xanthobacter autotrophicus Py2 | Descriptor: | CHLORIDE ION, Short-chain dehydrogenase/reductase SDR | Authors: | Agarwal, R, Chamala, S, Evans, B, Foti, R, Hillerich, B, Kar, A, Lafleur, J, Siedel, R, Villigas, G, Zencheck, W, Gizzi, A, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-02-29 | Release date: | 2012-03-14 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a short-chain dehydrogenase/reductase SDR from Xanthobacter autotrophicus Py2 To be Published
|
|
4DZ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dz9 by Molmil](/molmil-images/mine/4dz9) | hCA II in complex with novel sulfonamide inhibitors Set D | Descriptor: | 4-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Aggarwal, M, McKenna, R. | Deposit date: | 2012-02-29 | Release date: | 2013-03-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.491 Å) | Cite: | hCA II in complex with novel sulfonamide inhibitors Set D To be Published
|
|
4E0M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e0m by Molmil](/molmil-images/mine/4e0m) | SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form I) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN), PHOSPHATE ION | Authors: | Zhao, M, Liu, C, Michael, S.R, Eisenberg, D. | Deposit date: | 2012-03-04 | Release date: | 2013-02-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Out-of-register beta-sheets suggest a pathway
to toxic amyloid aggregates Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
2HQU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hqu by Molmil](/molmil-images/mine/2hqu) | Human dUTPase in complex with alpha,beta-iminodUTP and magnesium ion | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | Authors: | Barabas, O, Varga, B, Vertessy, B.G. | Deposit date: | 2006-07-19 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Active site closure facilitates juxtaposition of reactant atoms for initiation of catalysis by human dUTPase. Febs Lett., 581, 2007
|
|
2OH1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oh1 by Molmil](/molmil-images/mine/2oh1) | |
2OAM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oam by Molmil](/molmil-images/mine/2oam) | |
2HTO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hto by Molmil](/molmil-images/mine/2hto) | Ruthenium hexammine ion interactions with Z-DNA | Descriptor: | DNA (5'-D(*DCP*DGP*DCP*DGP*DCP*DA)-3'), DNA (5'-D(*DTP*DGP*DCP*DGP*DCP*DG)-3'), RUTHENIUM (III) HEXAAMINE ION | Authors: | Bharanidharan, D, Thiyagarajan, S, Gautham, N. | Deposit date: | 2006-07-26 | Release date: | 2006-08-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Hexammineruthenium(III) ion interactions with Z-DNA Acta Crystallogr.,Sect.F, 63, 2007
|
|
4E2R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e2r by Molmil](/molmil-images/mine/4e2r) | |
2NXE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nxe by Molmil](/molmil-images/mine/2nxe) | T. thermophilus ribosomal protein L11 methyltransferase (PrmA) in complex with S-Adenosyl-L-Methionine | Descriptor: | Ribosomal protein L11 methyltransferase, S-ADENOSYLMETHIONINE | Authors: | Demirci, H, Gregory, S.T, Dahlberg, A.E, Jogl, G. | Deposit date: | 2006-11-17 | Release date: | 2006-12-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Recognition of ribosomal protein L11 by the protein trimethyltransferase PrmA. Embo J., 26, 2007
|
|
2OKL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2okl by Molmil](/molmil-images/mine/2okl) | |
2NY1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ny1 by Molmil](/molmil-images/mine/2ny1) | HIV-1 gp120 Envelope Glycoprotein (I109C, T257S, S334A, S375W, Q428C) Complexed with CD4 and Antibody 17b | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ... | Authors: | Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D. | Deposit date: | 2006-11-20 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural definition of a conserved neutralization epitope on HIV-1 gp120. Nature, 445, 2007
|
|
2O4Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2o4q by Molmil](/molmil-images/mine/2o4q) | Structure of Phosphotriesterase mutant G60A | Descriptor: | CACODYLATE ION, Parathion hydrolase, ZINC ION | Authors: | Kim, J, Ramagopal, U.A, Tsai, P.C, Raushel, F.M, Almo, S.C. | Deposit date: | 2006-12-04 | Release date: | 2007-12-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of diethyl phosphate bound to the binuclear metal center of phosphotriesterase. Biochemistry, 47, 2008
|
|
4BIE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bie by Molmil](/molmil-images/mine/4bie) | Crystal Structures of Ask1-inhibitor Complexes | Descriptor: | GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, N-(2-aminoethyl)-5-{2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl}thiophene-2-sulfonamide | Authors: | Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J. | Deposit date: | 2013-04-10 | Release date: | 2013-07-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design. Protein Sci., 22, 2013
|
|
4BAB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bab by Molmil](/molmil-images/mine/4bab) | Redesign of a Phenylalanine Aminomutase into a beta-Phenylalanine Ammonia Lyase | Descriptor: | PHENYLALANINE AMINOMUTASE | Authors: | Bartsch, S, Wybenga, G.G, Jansen, M, Heberling, M.M, Wu, B, Dijkstra, B.W, Janssen, D.B. | Deposit date: | 2012-09-12 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Redesign of a Phenylalanine Aminomutase Into a Phenylalanine Ammonia Lyase To be Published
|
|
4BFN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bfn by Molmil](/molmil-images/mine/4bfn) | Crystal Structure of the Starch-Binding Domain from Rhizopus oryzae Glucoamylase in Complex with isomaltotetraose | Descriptor: | GLUCOAMYLASE, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose | Authors: | Chu, C.H, Li, K.M, Lin, S.W, Sun, Y.J. | Deposit date: | 2013-03-21 | Release date: | 2013-10-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Crystal Structures of Starch Binding Domain from Rhizopus Oryzae Glucoamylase in Complex with Isomaltooligosaccharide: Insights Into Polysaccharide Binding Mechanism of Cbm21 Family. Proteins, 82, 2014
|
|
2O9Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2o9q by Molmil](/molmil-images/mine/2o9q) | The crystal structure of Bovine Trypsin complexed with a small inhibition peptide ORB2K | Descriptor: | CALCIUM ION, Cationic trypsin, ORB2K, ... | Authors: | Li, J, Zhang, C, Xu, X, Wang, J, Gong, W, Lai, R. | Deposit date: | 2006-12-14 | Release date: | 2007-12-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | From protease inhibitor to antibiotics: single point mutation makes tremendous functional shift To be Published
|
|
4BKS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bks by Molmil](/molmil-images/mine/4bks) | von Hippel Lindau protein:ElonginB:ElonginC complex, in complex with (2S,4R)-1-ethanoyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | Descriptor: | (2S,4R)-1-ethanoyl-N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, ACETATE ION, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | Authors: | Van Molle, I, Dias, D.M, Baud, M, Galdeano, C, Geraldes, C.F.G.C, Ciulli, A. | Deposit date: | 2013-04-29 | Release date: | 2013-11-27 | Last modified: | 2014-01-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Is NMR Fragment Screening Fine-Tuned to Assess Druggability of Protein-Protein Interactions? Acs Med.Chem.Lett., 5, 2014
|
|
4BGF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bgf by Molmil](/molmil-images/mine/4bgf) | The 3D-structure of arylamine-N-acetyltransferase from M. tuberculosis | Descriptor: | ARYLAMINE N-ACETYLTRANSFERASE NAT | Authors: | Abuhammad, A, Lowe, E.D, McDonough, M.A, Shaw Stewart, P.D, Kolek, S.A, Sim, E, Garman, E.F. | Deposit date: | 2013-03-26 | Release date: | 2013-07-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Structure of arylamine N-acetyltransferase from Mycobacterium tuberculosis determined by cross-seeding with the homologous protein from M. marinum: triumph over adversity. Acta Crystallogr. D Biol. Crystallogr., 69, 2013
|
|