2K3P
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3HP8
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![BU of 3hp8 by Molmil](/molmil-images/mine/3hp8) | Crystal structure of a designed Cyanovirin-N homolog lectin; LKAMG, bound to sucrose | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Cyanovirin-N-like protein, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Koharudin, L.M.I, Furey, W, Gronenborn, A.M. | Deposit date: | 2009-06-03 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A designed chimeric cyanovirin-N homolog lectin: Structure and molecular basis of sucrose binding. Proteins, 77, 2009
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3HXF
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![BU of 3hxf by Molmil](/molmil-images/mine/3hxf) | Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 32) | Descriptor: | CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, ... | Authors: | Guo, Z, Alexandrov, K, Waldmann, H, Goody, R.S, Blankenfeldt, W. | Deposit date: | 2009-06-20 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors J.Med.Chem., 52, 2009
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3EUV
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![BU of 3euv by Molmil](/molmil-images/mine/3euv) | Crystal structure of FTase(ALPHA-subunit; BETA-subunit DELTA C10, W102T, Y154T) in complex with BiotinGPP | Descriptor: | (2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate, Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ... | Authors: | Guo, Z, Nguyen, U.T.T, Delon, C, Bon, R.S, Blankenfeldt, W, Goody, R.S, Waldmann, H, Wolters, D, Alexandrov, K. | Deposit date: | 2008-10-11 | Release date: | 2009-07-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Analysis of the eukaryotic prenylome by isoprenoid affinity tagging Nat.Chem.Biol., 5, 2009
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3HS8
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![BU of 3hs8 by Molmil](/molmil-images/mine/3hs8) | Intersectin 1-peptide-AP2 alpha ear complex | Descriptor: | Adaptor protein complex AP-2, alpha 2 subunit, peptide from Intersectin-1, ... | Authors: | Vahedi-Faridi, A, Pechstein, A, Schaefer, J.G, Saenger, W, Haucke, V. | Deposit date: | 2009-06-10 | Release date: | 2010-02-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Regulation of synaptic vesicle recycling by complex formation between intersectin 1 and the clathrin adaptor complex AP2. Proc.Natl.Acad.Sci.USA, 107, 2010
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2JMB
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![BU of 2jmb by Molmil](/molmil-images/mine/2jmb) | Solution structure of the protein Atu4866 from Agrobacterium tumefaciens | Descriptor: | Hypothetical protein Atu4866 | Authors: | Ai, X, Semesi, A, Yee, A, Arrowsmith, C.H, Li, S.S.C, Choy, W, Ontario Centre for Structural Proteomics (OCSP) | Deposit date: | 2006-11-01 | Release date: | 2007-10-16 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Solution structure of the protein Atu4866 from Agrobacterium tumefaciens To be Published
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3HTO
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![BU of 3hto by Molmil](/molmil-images/mine/3hto) | the hemagglutinin structure of an avian H1N1 influenza A virus | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Wang, G, Li, A, Zhang, Q, Wu, C, Zhang, R, Cai, Q, Song, W, Yuen, K.-Y. | Deposit date: | 2009-06-12 | Release date: | 2009-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | The hemagglutinin structure of an avian H1N1 influenza A virus Virology, 392, 2009
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1O07
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![BU of 1o07 by Molmil](/molmil-images/mine/1o07) | Crystal Structure of the complex between Q120L/Y150E mutant of AmpC and a beta-lactam inhibitor (MXG) | Descriptor: | 2-(1-{2-[4-(2-ACETYLAMINO-PROPIONYLAMINO)-4-CARBOXY-BUTYRYLAMINO]-6-AMINO-HEXANOYLAMINO}-2-OXO-ETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase, POTASSIUM ION | Authors: | Meroueh, S.O, Minasov, G, Lee, W, Shoichet, B.K, Mobashery, S. | Deposit date: | 2003-02-20 | Release date: | 2003-08-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structural Aspects for Evolution of beta-Lactamases from Penicillin-Binding Proteins J.Am.Chem.Soc., 125, 2003
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3HXC
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![BU of 3hxc by Molmil](/molmil-images/mine/3hxc) | Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 8) | Descriptor: | CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, ... | Authors: | Guo, Z, Alexandrov, K, Waldmann, H, Goody, R.S, Blankenfeldt, W. | Deposit date: | 2009-06-20 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors J.Med.Chem., 52, 2009
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1NU0
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![BU of 1nu0 by Molmil](/molmil-images/mine/1nu0) | Structure of the double mutant (L6M; F134M, SeMet form) of yqgF from Escherichia coli, a hypothetical protein | Descriptor: | Hypothetical protein yqgF, SULFATE ION | Authors: | Galkin, A, Sarikaya, E, Krajewski, W, Howard, A, Herzberg, O, Structure 2 Function Project (S2F) | Deposit date: | 2003-01-30 | Release date: | 2004-03-02 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of yqgF from Escherichia coli, a hypothetical protein To be Published
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3ET2
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2JAF
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![BU of 2jaf by Molmil](/molmil-images/mine/2jaf) | Ground state of halorhodopsin T203V | Descriptor: | CHLORIDE ION, Halorhodopsin, PALMITIC ACID, ... | Authors: | Gmelin, W, Zeth, K, Efremov, R, Heberle, J, Tittor, J, Oesterhelt, D. | Deposit date: | 2006-11-28 | Release date: | 2006-12-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystal structure of the L1 intermediate of halorhodopsin at 1.9 angstroms resolution. Photochem. Photobiol., 83, 2007
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3I12
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![BU of 3i12 by Molmil](/molmil-images/mine/3i12) | The crystal structure of the D-alanyl-alanine synthetase A from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-alanine-D-alanine ligase A | Authors: | Zhang, R, Maltseva, N, Papazisi, L, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-06-25 | Release date: | 2009-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of the D-alanyl-alanine synthetase A from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 To be Published
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2JFS
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![BU of 2jfs by Molmil](/molmil-images/mine/2jfs) | Crystal structure of the PPM Ser-Thr phosphatase MsPP from Mycobacterium smegmatis in complex with cacodylate | Descriptor: | CACODYLATE ION, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Bellinzoni, M, Wehenkel, A, Shepard, W, Alzari, P.M. | Deposit date: | 2007-02-04 | Release date: | 2007-07-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Insights Into the Mechanism of Ppm Ser/Thr Phosphatases from the Atomic Resolution Structures of a Mycobacterial Enzyme Structure, 15, 2007
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6ILQ
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![BU of 6ilq by Molmil](/molmil-images/mine/6ilq) | Crystal structure of PPARgamma with compound BR101549 | Descriptor: | Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma, ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate | Authors: | Hong, E, Jang, T.H, Chin, J, Kim, K.H, Jung, W, Kim, S.H. | Deposit date: | 2018-10-19 | Release date: | 2019-09-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.408 Å) | Cite: | Identification of BR101549 as a lead candidate of non-TZD PPAR gamma agonist for the treatment of type 2 diabetes: Proof-of-concept evaluation and SAR. Bioorg.Med.Chem.Lett., 29, 2019
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3EO3
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![BU of 3eo3 by Molmil](/molmil-images/mine/3eo3) | Crystal structure of the N-acetylmannosamine kinase domain of human GNE protein | Descriptor: | Bifunctional UDP-N-acetylglucosamine 2-epimerase/N-acetylmannosamine kinase, UNKNOWN ATOM OR ION, ZINC ION | Authors: | Nedyalkova, L, Tong, Y, Rabeh, W.M, Hong, B, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-09-26 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Crystal structure of the N-acetylmannosamine kinase domain of GNE. Plos One, 4, 2009
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1ONK
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![BU of 1onk by Molmil](/molmil-images/mine/1onk) | Mistletoe lectin I from viscum album | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AZIDE ION, Beta-galactoside specific lectin I A chain, ... | Authors: | Gabdoulkhakov, A.G, Savoshkina, Y, Krauspenhaar, R, Stoeva, S, Konareva, N, Kornilov, V, Kornev, A.N, Voelter, W, Nikonov, S.V, Betzel, C, Mikhailov, A.M. | Deposit date: | 2003-02-28 | Release date: | 2004-02-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mistletoe lectin I from viscum album To be Published
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2JAG
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![BU of 2jag by Molmil](/molmil-images/mine/2jag) | L1-intermediate of halorhodopsin T203V | Descriptor: | CHLORIDE ION, Halorhodopsin, PALMITIC ACID, ... | Authors: | Gmelin, W, Zeth, K, Efremov, R, Heberle, J, Tittor, J, Oesterhelt, D. | Deposit date: | 2006-11-28 | Release date: | 2006-12-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | The crystal structure of the L1 intermediate of halorhodopsin at 1.9 angstroms resolution. Photochem. Photobiol., 83, 2007
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3HPB
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3EPW
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![BU of 3epw by Molmil](/molmil-images/mine/3epw) | Crystal structure of Trypanosoma vivax nucleoside hydrolase in complex with the inhibitor (2R,3R,4S)-1-[(4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidin-3,4-diol | Descriptor: | 7-(((2R,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one, CALCIUM ION, IAG-nucleoside hydrolase, ... | Authors: | Versees, W, Goeminne, A, Berg, M, Vandemeulebroucke, A, Haemers, A, Augustyns, K, Steyaert, J. | Deposit date: | 2008-09-30 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structures of T. vivax nucleoside hydrolase in complex with new potent and specific inhibitors. Biochim.Biophys.Acta, 1794, 2009
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1OPJ
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![BU of 1opj by Molmil](/molmil-images/mine/1opj) | Structural basis for the auto-inhibition of c-Abl tyrosine kinase | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, MYRISTIC ACID, ... | Authors: | Nagar, B, Hantschel, O, Young, M.A, Scheffzek, K, Veach, D, Bornmann, W, Clarkson, B, Superti-Furga, G, Kuriyan, J. | Deposit date: | 2003-03-06 | Release date: | 2003-04-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for the autoinhibition of c-Abl tyrosine kinase Cell(Cambridge,Mass.), 112, 2003
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3ET0
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3EU5
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![BU of 3eu5 by Molmil](/molmil-images/mine/3eu5) | Crystal structure of FTase(ALPHA-subunit; BETA-subunit DELTA C10) in complex with BiotinGPP | Descriptor: | (2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate, Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ... | Authors: | Guo, Z, Nguyen, U.T.T, Delon, C, Bon, R.S, Blankenfeldt, W, Goody, R.S, Waldmann, H, Wolters, D, Alexandrov, K. | Deposit date: | 2008-10-09 | Release date: | 2009-07-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Analysis of the eukaryotic prenylome by isoprenoid affinity tagging Nat.Chem.Biol., 5, 2009
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1ONN
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![BU of 1onn by Molmil](/molmil-images/mine/1onn) | IspC apo structure | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | Authors: | Steinbacher, S, Kaiser, J, Eisenreich, W, Huber, R, Bacher, A, Rohdich, F. | Deposit date: | 2003-02-28 | Release date: | 2003-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of fosmidomycin action revealed by the complex with 2-C-methyl-D-erythritol
4-phosphate synthase (IspC). Implications for the catalytic mechanism and anti-malaria
drug development. J.BIOL.CHEM., 278, 2003
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2JMD
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![BU of 2jmd by Molmil](/molmil-images/mine/2jmd) | Solution Structure of the Ring Domain of Human TRAF6 | Descriptor: | TNF receptor-associated factor 6, ZINC ION | Authors: | Mercier, P, Lewis, M.J, Hau, D.D, Saltibus, L.F, Xiao, W, Spyracopoulos, L. | Deposit date: | 2006-11-02 | Release date: | 2007-04-10 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Structure, interactions, and dynamics of the RING domain from human TRAF6 Protein Sci., 16, 2007
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