4BTI
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![BU of 4bti by Molmil](/molmil-images/mine/4bti) | factor Xa in complex with the dual thrombin-FXa inhibitor 58. | Descriptor: | 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ... | Authors: | Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. | Deposit date: | 2013-06-18 | Release date: | 2013-12-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor. J.Med.Chem., 56, 2013
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4BTT
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![BU of 4btt by Molmil](/molmil-images/mine/4btt) | factor Xa in complex with the dual thrombin-FXa inhibitor 31. | Descriptor: | CALCIUM ION, COAGULATION FACTOR X, COAGULATION FACTOR X LIGHT CHAIN, ... | Authors: | Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. | Deposit date: | 2013-06-19 | Release date: | 2013-12-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor. J.Med.Chem., 56, 2013
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6CW9
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![BU of 6cw9 by Molmil](/molmil-images/mine/6cw9) | Structure of alpha-GC[8,16P] bound by CD1d and in complex with the Va14Vb8.2 TCR | 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: | Wang, J, Zajonc, D. | Deposit date: | 2018-03-30 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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4FIV
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![BU of 4fiv by Molmil](/molmil-images/mine/4fiv) | FIV PROTEASE COMPLEXED WITH AN INHIBITOR LP-130 | Descriptor: | 4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE, FELINE IMMUNODEFICIENCY VIRUS PROTEASE | Authors: | Kervinen, J, Lubkowski, J, Zdanov, A, Wlodawer, A, Gustchina, A. | Deposit date: | 1998-07-15 | Release date: | 1999-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Toward a universal inhibitor of retroviral proteases: comparative analysis of the interactions of LP-130 complexed with proteases from HIV-1, FIV, and EIAV. Protein Sci., 7, 1998
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6CX7
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![BU of 6cx7 by Molmil](/molmil-images/mine/6cx7) | Structure of alpha-GSA[12,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR | Descriptor: | 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, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Wang, J, Zajonc, D. | Deposit date: | 2018-04-02 | Release date: | 2019-04-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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6CYW
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![BU of 6cyw by Molmil](/molmil-images/mine/6cyw) | Structure of sphingomyelin in complex with mouse CD1d | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Zajonc, D.M, Wang, J. | Deposit date: | 2018-04-06 | Release date: | 2019-04-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Control of CD1d-restricted antigen presentation and inflammation by sphingomyelin. Nat.Immunol., 20, 2019
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2CL2
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![BU of 2cl2 by Molmil](/molmil-images/mine/2cl2) | Endo-1,3(4)-beta-glucanase from Phanerochaete chrysosporium, solved using native sulfur SAD, exhibiting intact heptasaccharide glycosylation | Descriptor: | PUTATIVE LAMINARINASE, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Vasur, J, Kawai, R, Igarashi, K, Sandgren, M, Samejima, M, Stahlberg, J. | Deposit date: | 2006-04-25 | Release date: | 2006-10-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | X-ray crystallographic native sulfur SAD structure determination of laminarinase Lam16A from Phanerochaete chrysosporium. Acta Crystallogr. D Biol. Crystallogr., 62, 2006
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1JQM
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![BU of 1jqm by Molmil](/molmil-images/mine/1jqm) | Fitting of L11 protein and elongation factor G (EF-G) in the cryo-em map of e. coli 70S ribosome bound with EF-G, GDP and fusidic acid | Descriptor: | 50S Ribosomal protein L11, Elongation Factor G | Authors: | Agrawal, R.K, Linde, J, Segupta, J, Nierhaus, K.H, Frank, J. | Deposit date: | 2001-08-07 | Release date: | 2001-09-07 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (18 Å) | Cite: | Localization of L11 protein on the ribosome and elucidation of its involvement in EF-G-dependent translocation. J.Mol.Biol., 311, 2001
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3TTI
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![BU of 3tti by Molmil](/molmil-images/mine/3tti) | Crystal Structure of JNK3 complexed with CC-930, an orally active anti-fibrotic JNK inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 10, trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol | Authors: | Plantevin-Krenitsky, V, Nadolny, L, Delgado, M, Ayala, L, Clareen, S, Hilgraf, R, Albers, R, Hegde, S, D'Sidocky, N, Sapienza, J, Wright, J, McCarrick, M, Bahmanyar, S, Chamberlain, P, Delker, S.L, Muir, J, Giegel, D, Xu, L, Celeridad, M, Lachowitzer, J, Bennett, B, Moghaddam, M, Khatsenko, O, Katz, J, Fan, R, Bai, A, Tang, Y, Shirley, M.A, Benish, B, Bodine, T, Blease, K, Raymon, H, Cathers, B.E, Satoh, Y. | Deposit date: | 2011-09-14 | Release date: | 2012-02-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor. Bioorg.Med.Chem.Lett., 22, 2012
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2H2Y
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![BU of 2h2y by Molmil](/molmil-images/mine/2h2y) | Crystal structure of ubiquitin conjugating enzyme E2 from plasmodium falciparum | Descriptor: | Ubiquitin-conjugating enzyme | Authors: | Qiu, W, Dong, A, Zhao, Y, Lew, J, Kozieradski, I, Sundararajan, E, Melone, M, Wasney, G, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2006-05-19 | Release date: | 2006-06-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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2FAQ
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![BU of 2faq by Molmil](/molmil-images/mine/2faq) | Crystal Structure of Pseudomonas aeruginosa LigD polymerase domain with ATP and Manganese | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Zhu, H, Nandakumar, J, Aniukwu, J, Wang, L.K, Glickman, M.S, Lima, C.D, Shuman, S. | Deposit date: | 2005-12-07 | Release date: | 2006-05-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Atomic structure and nonhomologous end-joining function of the polymerase component of bacterial DNA ligase D Proc.Natl.Acad.Sci.USA, 103, 2006
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2Y39
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![BU of 2y39 by Molmil](/molmil-images/mine/2y39) | Ni-bound form of Cupriavidus metallidurans CH34 CnrXs | Descriptor: | ACETATE ION, NICKEL (II) ION, NICKEL AND COBALT RESISTANCE PROTEIN CNRR | Authors: | Trepreau, J, Girard, E, Maillard, A.P, de Rosny, E, Petit-Haertlein, I, Kahn, R, Coves, J. | Deposit date: | 2010-12-20 | Release date: | 2011-03-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Structural Basis for Metal Sensing by Cnrx. J.Mol.Biol., 408, 2011
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4IQS
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![BU of 4iqs by Molmil](/molmil-images/mine/4iqs) | |
2Q63
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![BU of 2q63 by Molmil](/molmil-images/mine/2q63) | HIV-1 PR mutant in complex with nelfinavir | Descriptor: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN | Authors: | Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J. | Deposit date: | 2007-06-04 | Release date: | 2008-02-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants J.Mol.Biol., 374, 2007
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2PYM
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![BU of 2pym by Molmil](/molmil-images/mine/2pym) | HIV-1 PR mutant in complex with nelfinavir | Descriptor: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN | Authors: | Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J. | Deposit date: | 2007-05-16 | Release date: | 2008-02-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants J.Mol.Biol., 374, 2007
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4EJQ
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![BU of 4ejq by Molmil](/molmil-images/mine/4ejq) | Crystal structure of KIF1A C-CC1-FHA | Descriptor: | Kinesin-like protein KIF1A | Authors: | Huo, L, Yue, Y, Ren, J, Yu, J, Liu, J, Yu, Y, Ye, F, Xu, T, Zhang, M, Feng, W. | Deposit date: | 2012-04-06 | Release date: | 2012-10-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | The CC1-FHA Tandem as a Central Hub for Controlling the Dimerization and Activation of Kinesin-3 KIF1A Structure, 20, 2012
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7XJF
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![BU of 7xjf by Molmil](/molmil-images/mine/7xjf) | Crystal structure of 6MW3211 Fab in complex with CD47 | Descriptor: | 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, CHLORIDE ION, ... | Authors: | Wang, J, Wang, R, Jiao, S, Wang, S, Zhang, J, Zhang, M, Wang, M. | Deposit date: | 2022-04-16 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Blockade of dual immune checkpoint inhibitory signals with a CD47/PD-L1 bispecific antibody for cancer treatment. Theranostics, 13, 2023
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2F4K
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![BU of 2f4k by Molmil](/molmil-images/mine/2f4k) | Chicken villin subdomain HP-35, K65(NLE), N68H, K70(NLE), PH9 | Descriptor: | Villin-1 | Authors: | Chiu, T.K, Davies, D.R, Kubelka, J, Hofrichter, J, Eaton, W.A. | Deposit date: | 2005-11-23 | Release date: | 2006-04-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Sub-microsecond Protein Folding. J.Mol.Biol., 359, 2006
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4KON
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![BU of 4kon by Molmil](/molmil-images/mine/4kon) | The structure of hemagglutinin from avian-origin H7N9 influenza virus in complex with human receptor analog 6'SLNLN (NeuAcα2-6Galβ1-4GlcNAcβ1-3Galβ1-4Glc) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ... | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-05-12 | Release date: | 2013-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses. Science, 342, 2013
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4KOL
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![BU of 4kol by Molmil](/molmil-images/mine/4kol) | The structure of hemagglutinin from avian-origin H7N9 influenza virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2 | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-05-12 | Release date: | 2013-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.799 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses. Science, 342, 2013
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2DFK
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![BU of 2dfk by Molmil](/molmil-images/mine/2dfk) | Crystal structure of the CDC42-Collybistin II complex | Descriptor: | GLYCEROL, SULFATE ION, cell division cycle 42 isoform 1, ... | Authors: | Xiang, S, Kim, E.Y, Connelly, J.J, Nassar, N, Kirsch, J, Winking, J, Schwarz, G, Schindelin, H. | Deposit date: | 2006-03-02 | Release date: | 2006-05-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The Crystal Structure of Cdc42 in Complex with Collybistin II, a Gephyrin-interacting Guanine Nucleotide Exchange Factor. J.Mol.Biol., 359, 2006
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2FIM
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![BU of 2fim by Molmil](/molmil-images/mine/2fim) | Structure of the C-terminal domain of Human Tubby-like protein 1 | Descriptor: | 3-(N,N-DIMETHYLOCTYLAMMONIO)PROPANESULFONATE, SULFATE ION, Tubby related protein 1 | Authors: | Hallberg, B.M, Ogg, D, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Kotenyova, T, Kursula, P, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Persson, C. | Deposit date: | 2005-12-29 | Release date: | 2006-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the C-terminal domain of Human Tubby-like protein 1 To be published
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2Q64
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![BU of 2q64 by Molmil](/molmil-images/mine/2q64) | HIV-1 PR mutant in complex with nelfinavir | Descriptor: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN | Authors: | Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J. | Deposit date: | 2007-06-04 | Release date: | 2008-02-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants J.Mol.Biol., 374, 2007
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2FAO
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![BU of 2fao by Molmil](/molmil-images/mine/2fao) | Crystal Structure of Pseudomonas aeruginosa LigD polymerase domain | Descriptor: | SULFATE ION, probable ATP-dependent DNA ligase | Authors: | Zhu, H, Nandakumar, J, Aniukwu, J, Wang, L.K, Glickman, M.S, Lima, C.D, Shuman, S. | Deposit date: | 2005-12-07 | Release date: | 2006-05-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Atomic structure and nonhomologous end-joining function of the polymerase component of bacterial DNA ligase D Proc.Natl.Acad.Sci.USA, 103, 2006
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2R0J
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![BU of 2r0j by Molmil](/molmil-images/mine/2r0j) | Crystal structure of the putative ubiquitin conjugating enzyme, PFE1350c, from Plasmodium falciparum | Descriptor: | Ubiquitin carrier protein | Authors: | Wernimont, A.K, Lew, J, Lin, Y.H, Hassanali, A, Kozieradzki, I, Zhao, Y, Schapira, M, Bochkarev, A, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Hui, R, Brokx, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-08-20 | Release date: | 2007-09-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of the putative ubiquitin conjugating enzyme, PFE1350c, from Plasmodium falciparum. To be Published
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