4B7Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b7q by Molmil](/molmil-images/mine/4b7q) | H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE, ... | Authors: | Liu, J, van der Vries, E, Vachieri, S.G, Xiong, X, Collins, P.J, Walker, P.A, Haire, L.F, Hay, A.J, Schutten, M, Osterhaus, A.D.M.E, Martin, S.R, Boucher, C.A.B, Skehel, J.J, Gamblin, S.J. | Deposit date: | 2012-08-21 | Release date: | 2012-10-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.728 Å) | Cite: | H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis Plos Pathog., 8, 2012
|
|
4BAA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4baa by Molmil](/molmil-images/mine/4baa) | Redesign of a Phenylalanine Aminomutase into a beta-Phenylalanine Ammonia Lyase | Descriptor: | PHENYLALANINE AMMONIA-LYASE | 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 (2.5 Å) | Cite: | Redesign of a Phenylalanine Aminomutase Into a Phenylalanine Ammonia Lyase To be Published
|
|
4B3Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b3q by Molmil](/molmil-images/mine/4b3q) | Structures of HIV-1 RT and RNA-DNA Complex Reveal a Unique RT Conformation and Substrate Interface | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, P51 RT, PRIMER DNA, ... | Authors: | Lapkouski, M, Tian, L, Miller, J.T, Le Grice, S.F.J, Yang, W. | Deposit date: | 2012-07-25 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (5 Å) | Cite: | Complexes of HIV-1 RT, Nnrti and RNA/DNA Hybrid Reveal a Structure Compatible with RNA Degradation Nat.Struct.Mol.Biol., 20, 2013
|
|
4B63
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b63 by Molmil](/molmil-images/mine/4b63) | A. fumigatus ornithine hydroxylase (SidA) bound to NADP and ornithine | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, L-ORNITHINE N5 MONOOXYGENASE, ... | Authors: | Franceschini, S, Fedkenheuer, M, Vogelaar, N.J, Robinson, H.H, Sobrado, P, Mattevi, A. | Deposit date: | 2012-08-09 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insight Into the Mechanism of Oxygen Activation and Substrate Selectivity of Flavin-Dependent N-Hydroxylating Monooxygenases. Biochemistry, 51, 2012
|
|
4YUJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yuj by Molmil](/molmil-images/mine/4yuj) | Multiconformer synchrotron model of CypA at 240 K | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | Deposit date: | 2015-03-18 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife, 4, 2015
|
|
4B49
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b49 by Molmil](/molmil-images/mine/4b49) | 1.15 A Structure of Lysozyme Crystallized without 2-methyl-2,4- pentanediol | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, LYSOZYME C | Authors: | Jakoncic, J, Berger, J, Stauber, M, Axelbaum, A, Asherie, N. | Deposit date: | 2012-07-28 | Release date: | 2012-08-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystallization of Lysozyme with (R)-, (S)- and (Rs)-2-Methyl-2,4-Pentanediol Acta Crystallogr.,Sect.D, 71, 2015
|
|
4DUH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4duh by Molmil](/molmil-images/mine/4duh) | Crystal structure of 24 kDa domain of E. coli DNA gyrase B in complex with small molecule inhibitor | Descriptor: | 4-{[4'-methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid, DNA gyrase subunit B | Authors: | Brvar, M, Renko, M, Perdih, A, Solmajer, T, Turk, D. | Deposit date: | 2012-02-22 | Release date: | 2012-08-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-based discovery of substituted 4,5'-bithiazoles as novel DNA gyrase inhibitors. J.Med.Chem., 55, 2012
|
|
4B24
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b24 by Molmil](/molmil-images/mine/4b24) | Unprecedented sculpting of DNA at abasic sites by DNA glycosylase homolog Mag2 | Descriptor: | 5'-D(*CP*GP*AP*TP*AP*GP*GP*TP*AP*GP)-3', 5'-D(*GP*CP*TP*AP*CP*3DRP*TP*AP*TP*CP*GP)-3', PROBABLE DNA-3-METHYLADENINE GLYCOSYLASE 2 | Authors: | Dalhus, B, Nilsen, L, Korvald, H, Huffman, J, Forstrom, R.J, McMurray, C.T, Alseth, I, Tainer, J.A, Bjoras, M. | Deposit date: | 2012-07-12 | Release date: | 2013-01-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Sculpting of DNA at Abasic Sites by DNA Glycosylase Homolog Mag2. Structure, 21, 2013
|
|
2PWQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pwq by Molmil](/molmil-images/mine/2pwq) | Crystal structure of a putative ubiquitin conjugating enzyme from Plasmodium yoelii | Descriptor: | Ubiquitin conjugating enzyme | Authors: | Qiu, W, Dong, A, Hassanali, A, Lin, L, Brokx, S, Altamentova, S, Hills, T, Lew, J, Ravichandran, M, Kozieradzki, I, Zhao, Y, Schapira, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2007-05-11 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a putative ubiquitin conjugating enzyme from Plasmodium yoelii. To be Published
|
|
2IYF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2iyf by Molmil](/molmil-images/mine/2iyf) | The crystal structure of macrolide glycosyltransferases: A blueprint for antibiotic engineering | Descriptor: | ERYTHROMYCIN A, MAGNESIUM ION, OLEANDOMYCIN GLYCOSYLTRANSFERASE, ... | Authors: | Bolam, D.N, Roberts, S.M, Proctor, M.R, Turkenburg, J.P, Dodson, E.J, Martinez-Fleites, C, Yang, M, Davis, B.G, Davies, G.J, Gilbert, H.J. | Deposit date: | 2006-07-17 | Release date: | 2007-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of Two Macrolide Glycosyltransferases Provides a Blueprint for Host Cell Antibiotic Immunity. Proc.Natl.Acad.Sci.USA, 104, 2007
|
|
2J6K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2j6k by Molmil](/molmil-images/mine/2j6k) | N-TERMINAL SH3 DOMAIN OF CMS (CD2AP HUMAN HOMOLOG) | Descriptor: | CD2-ASSOCIATED PROTEIN, SODIUM ION | Authors: | Moncalian, G, Cardenes, N, Deribe, Y.L, Spinola-Amilibia, M, Dikic, I, Bravo, J. | Deposit date: | 2006-09-29 | Release date: | 2006-10-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Atypical Polyproline Recognition by the Cms N- Terminal SH3 Domain. J.Biol.Chem., 281, 2006
|
|
4ASD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4asd by Molmil](/molmil-images/mine/4asd) | Crystal Structure of VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with SORAFENIB (BAY 43-9006) | Descriptor: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 | Authors: | McTigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Stewart, A. | Deposit date: | 2012-04-30 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
8BIN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bin by Molmil](/molmil-images/mine/8bin) | Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MR21 | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2 | Authors: | Zhubi, R, Rak, M, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-02 | Release date: | 2022-11-23 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Back-Pocket Optimization of 2-Aminopyrimidine-Based Macrocycles Leads to Potent EPHA2/GAK Kinase Inhibitors. J.Med.Chem., 67, 2024
|
|
2IW1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2iw1 by Molmil](/molmil-images/mine/2iw1) | Crystal Structure of WaaG, a glycosyltransferase involved in lipopolysaccharide biosynthesis | Descriptor: | LIPOPOLYSACCHARIDE CORE BIOSYNTHESIS PROTEIN RFAG, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE | Authors: | Martinez-Fleites, C, Proctor, M, Roberts, S, Bolam, D.N, Gilbert, H.J, Davies, G.J. | Deposit date: | 2006-06-23 | Release date: | 2006-10-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Insights Into the Synthesis of Lipopolysaccharide and Antibiotics Through the Structures of Two Retaining Glycosyltransferases from Family Gt4 Chem.Biol., 13, 2006
|
|
2IXO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ixo by Molmil](/molmil-images/mine/2ixo) | CRYSTAL STRUCTURE OF THE PP2A PHOSPHATASE ACTIVATOR Ypa1 PTPA1 | Descriptor: | SERINE/THREONINE-PROTEIN PHOSPHATASE 2A ACTIVATOR 1 | Authors: | Leulliot, N, Vicentini, G, Jordens, J, Quevillon-Cheruel, S, Schiltz, M, Barford, D, Van Tilbeurgh, H, Goris, J. | Deposit date: | 2006-07-09 | Release date: | 2006-07-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of the Pp2A Phosphatase Activator: Implications for its Pp2A-Specific Ppiase Activity. Mol.Cell, 23, 2006
|
|
2PJ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pj8 by Molmil](/molmil-images/mine/2pj8) | |
2IXZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ixz by Molmil](/molmil-images/mine/2ixz) | Solution structure of the apical stem-loop of the human hepatitis B virus encapsidation signal | Descriptor: | 5'-R(*GP*CP*UP*GP*UP*GP*CP*CP)-3' | Authors: | Flodell, S, Petersen, M, Girard, F, Zdunek, J, Kidd-Ljunggren, K, Schleucher, J, Wijmenga, S.S. | Deposit date: | 2006-07-11 | Release date: | 2006-09-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of the apical stem-loop of the human hepatitis B virus encapsidation signal. Nucleic Acids Res., 34, 2006
|
|
2PJA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pja by Molmil](/molmil-images/mine/2pja) | |
4B2D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b2d by Molmil](/molmil-images/mine/4b2d) | human PKM2 with L-serine and FBP bound. | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, PYRUVATE KINASE ISOZYMES M1/M2, ... | Authors: | Chaneton, B, Hillmann, P, Zheng, L, Martin, A.C.L, Maddocks, O.D.K, Chokkathukalam, A, Coyle, J.E, Jankevics, A, Holding, F.P, Vousden, K.H, Frezza, C, O'Reilly, M, Gottlieb, E. | Deposit date: | 2012-07-13 | Release date: | 2012-10-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Serine is a natural ligand and allosteric activator of pyruvate kinase M2. Nature, 491, 2012
|
|
8BIO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bio by Molmil](/molmil-images/mine/8bio) | Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MRAL5 | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2 | Authors: | Zhubi, R, Rak, M, Lucic, A, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-02 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily. Eur.J.Med.Chem., 254, 2023
|
|
4AZ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4az0 by Molmil](/molmil-images/mine/4az0) | crystal structure of cathepsin a, complexed with 8a. | Descriptor: | (S)-3-{[1-(2-Fluoro-phenyl)-5-hydroxy-1H-pyrazole-3-carbonyl]-amino}-3-o-tolyl-propionic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | Authors: | Ruf, S, Buning, C, Schreuder, H, Horstick, G, Linz, W, Olpp, T, Pernerstorfer, J, Hiss, K, Kroll, K, Kannt, A, Kohlmann, M, Linz, D, Huebschle, T, Ruetten, H, Wirth, K, Schmidt, T, Sadowski, T. | Deposit date: | 2012-06-22 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Novel Beta-Amino Acid Derivatives as Inhibitors of Cathepsin A. J.Med.Chem., 55, 2012
|
|
2PJ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pj3 by Molmil](/molmil-images/mine/2pj3) | |
2JNA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jna by Molmil](/molmil-images/mine/2jna) | Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein STM0082: Northeast Structural Genomics Consortium Target StR109 | Descriptor: | Putative secreted protein | Authors: | Eletsky, A, Parish, D, Liu, G, Sukumaran, D, Jiang, M, Cunningham, K, Ma, L, Xiao, R, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-12-31 | Release date: | 2007-02-06 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein STM0082: Northeast Structural Genomics Consortium Target StR109 To be Published
|
|
2JA2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ja2 by Molmil](/molmil-images/mine/2ja2) | Mycobacterium tuberculosis glutamyl-tRNA synthetase | Descriptor: | ACETATE ION, CHLORIDE ION, GLUTAMYL-TRNA SYNTHETASE | Authors: | Bourenkov, G.P, Strizhov, N, Shkolnaya, L.A, Bruning, M, Bartunik, H.D. | Deposit date: | 2006-11-20 | Release date: | 2008-10-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Basis for Discriminating or Non-Discriminating Functioning of Glutamyl-tRNA Synthetases To be Published
|
|
4AUW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4auw by Molmil](/molmil-images/mine/4auw) | CRYSTAL STRUCTURE OF THE BZIP HOMODIMERIC MAFB IN COMPLEX WITH THE C- MARE BINDING SITE | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, C-MARE BINDING SITE (5'-D(*AP*TP*AP*AP*TP*GP*CP*TP* GP*AP*CP*GP*TP*CP*AP*GP*CP*AP*AP*TP*T)-3'), MERCURY (II) ION, ... | Authors: | Textor, L.C, Holton, S, Wilmanns, M. | Deposit date: | 2012-05-22 | Release date: | 2013-06-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Expression, purification, crystallization and preliminary crystallographic analysis of the mouse transcription factor MafB in complex with its DNA-recognition motif Cmare Acta Crystallogr Sect F Struct Biol Cryst Commun., 63, 2007
|
|