2VYP
 
 | | Rabbit-muscle G-actin in complex with myxobacterial rhizopodin | | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Hagelueken, G, Albrecht, S.C, Steinmetz, H, Jansen, R, Heinz, D.W, Kalesse, M, Schubert, W.-D. | | Deposit date: | 2008-07-25 | | Release date: | 2009-02-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The Absolute Configuration of Rhizopodin and its Inhibition of Actin Polymerization by Dimerization.
Angew.Chem.Int.Ed.Engl., 48, 2009
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2X2C
 | | acetyl-CypA:cyclosporine complex | | Descriptor: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | | Authors: | Lammers, M, Neumann, H, Chin, J.W, James, L.C. | | Deposit date: | 2010-01-12 | | Release date: | 2010-03-23 | | Last modified: | 2018-05-02 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Acetylation Regulates Cyclophilin a Catalysis, Immunosuppression and HIV Isomerisation
Nat.Chem.Biol., 6, 2010
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2VW2
 | | Crystal structure of the NanB sialidase from Streptococcus pneumoniae | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, SIALIDASE B | | Authors: | Xu, G, Potter, J.A, Russell, R.J.M, Oggioni, M.R, Andrew, P.W, Taylor, G.L. | | Deposit date: | 2008-06-13 | | Release date: | 2008-06-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of the Nanb Sialidase from Streptococcus Pneumoniae
J.Mol.Biol., 384, 2008
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2VWL
 | | Aminopyrrolidine Factor Xa inhibitor | | Descriptor: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[2-FLUORO-4-(2-OXO-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-5-HYDROXYMETHYL-PYRROLIDIN-3-YL)-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | | Deposit date: | 2008-06-26 | | Release date: | 2009-07-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
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2W0R
 | | Crystal structure of the mutated N263D YscU C-terminal domain | | Descriptor: | CHLORIDE ION, YSCU | | Authors: | Wiesand, U, Sorg, I, Amstutz, M, Wagner, S, Van Den Heuvel, J, Luehrs, T, Cornelis, G.R, Heinz, D.W. | | Deposit date: | 2008-10-06 | | Release date: | 2008-11-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure of the Type III Secretion Recognition Protein Yscu from Yersinia Enterocolitica
J.Mol.Biol., 385, 2009
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2VW0
 | | Crystal structure of the NanB sialidase from Streptococcus pneumoniae | | Descriptor: | GLYCEROL, SIALIDASE B | | Authors: | Xu, G, Potter, J.A, Russell, R.J.M, Oggioni, M.R, Andrew, P.W, Taylor, G.L. | | Deposit date: | 2008-06-13 | | Release date: | 2008-06-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of the Nanb Sialidase from Streptococcus Pneumoniae
J.Mol.Biol., 384, 2008
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2VVV
 | | Aminopyrrolidine-related triazole Factor Xa inhibitor | | Descriptor: | 5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | | Deposit date: | 2008-06-12 | | Release date: | 2009-07-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
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2VOO
 | | Crystal structure of N-terminal domains of Human La protein complexed with RNA oligomer UUUUUUUU | | Descriptor: | 5'-R(*UP*UP*UP*UP*UP*UP*UP)-3', LUPUS LA PROTEIN | | Authors: | Kotik-Kogan, O, Valentine, E.R, Sanfelice, D, Conte, M.R, Curry, S. | | Deposit date: | 2008-02-19 | | Release date: | 2008-05-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Analysis Reveals Conformational Plasticity in the Recognition of RNA 3' Ends by the Human La Protein.
Structure, 16, 2008
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2VRR
 | | Structure of SUMO modified Ubc9 | | Descriptor: | FORMIC ACID, SMALL UBIQUITIN-RELATED MODIFIER 1, SODIUM ION, ... | | Authors: | Knipscheer, P, Flotho, A, Klug, H, Olsen, J.V, van Dijk, W.J, Fish, A, Johnson, E.S, Mann, M, Sixma, T.K, Pichler, A. | | Deposit date: | 2008-04-13 | | Release date: | 2008-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Ubc9 sumoylation regulates SUMO target discrimination.
Mol. Cell, 31, 2008
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2X0A
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2WHZ
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2WLQ
 | | Nucleophile-disabled Lam16A mutant holds laminariheptaose (L7) in a cyclical conformation | | 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, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | | Authors: | Vasur, J, Kawai, R, Andersson, E, Widmalm, G, Jonsson, K.H, Hansson, H, Engstrom, A, Igarashi, K, Sandgren, M, Samejima, M, Stahlberg, J. | | Deposit date: | 2009-06-24 | | Release date: | 2010-01-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Synthesis of Cyclic Beta-Glucan Using Laminarinase 16A Glycosynthase Mutant from the Basidiomycete Phanerochaete Chrysosporium.
J.Am.Chem.Soc., 132, 2010
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2WKZ
 | | HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimic with Improved Cell-Based Antiviral Activity | | Descriptor: | METHYL [(1S)-1-({2-[(3S)-3-BENZYL-3-HYDROXY-4-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-4-OXOBUTYL]-2-(4-PYRIDIN-2-YLBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE, PROTEASE | | Authors: | Mahalingam, A.K, Axelsson, L, Ekegren, J.K, Wannberg, J, Kihlstrom, J, Wallberg, H, Samuelsson, B, Larhed, M, Hallberg, A, Unge, T. | | Deposit date: | 2009-06-19 | | Release date: | 2009-12-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | HIV-1 Protease Inhibitors with a Transition-State Mimic Comprising a Tertiary Alcohol: Improved Antiviral Activity in Cells.
J.Med.Chem., 53, 2010
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2X9B
 | | The filamentous phages fd and IF1 use different infection mechanisms | | Descriptor: | ATTACHMENT PROTEIN G3P | | Authors: | Lorenz, S.H, Jakob, R.P, Weininger, U, Dobbek, H, Schmid, F.X. | | Deposit date: | 2010-03-15 | | Release date: | 2010-12-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | The Filamentous Phages Fd and If1 Use Different Mechanisms to Infect Escherichia Coli.
J.Mol.Biol., 405, 2011
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2X4N
 | | Crystal structure of MHC CLass I HLA-A2.1 bound to residual fragments of a photocleavable peptide that is cleaved upon UV-light treatment | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... | | Authors: | Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. | | Deposit date: | 2010-02-02 | | Release date: | 2010-03-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals.
J.Am.Chem.Soc., 131, 2009
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2WYG
 | | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs | | Descriptor: | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1R)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN | | Authors: | Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J. | | Deposit date: | 2009-11-16 | | Release date: | 2010-12-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs
Bioorg.Med.Chem.Lett., 20, 2010
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2XEE
 | | Structural Determinants for Improved Thermal Stability of Designed Ankyrin Repeat Proteins With a Redesigned C-capping Module. | | Descriptor: | NI3C DARPIN MUTANT5 | | Authors: | Kramer, M, Wetzel, S.K, Pluckthun, A, Mittl, P, Grutter, M. | | Deposit date: | 2010-05-14 | | Release date: | 2010-08-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Determinants for Improved Thermal Stability of Designed Ankyrin Repeat Proteins with a Redesigned C-Capping Module.
J.Mol.Biol., 404, 2010
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2XBY
 | | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | | Descriptor: | (3R,4R)-1-METHYLCARBAMOYLMETHYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W. | | Deposit date: | 2010-04-15 | | Release date: | 2010-08-04 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
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2XDK
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | 2-AMINO-4-PYRIDYL-PYRIMIDINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-05-04 | | Release date: | 2010-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
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2XG3
 | | Human galectin-3 in complex with a benzamido-N-acetyllactoseamine inhibitor | | Descriptor: | BENZAMIDE, CHLORIDE ION, Galectin-3, ... | | Authors: | Diehl, C, Engstrom, O, Delaine, T, Hakansson, M, Genheden, S, Modig, K, Leffler, H, Ryde, U, Nilsson, U, Akke, M. | | Deposit date: | 2010-05-30 | | Release date: | 2010-10-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Protein flexibility and conformational entropy in ligand design targeting the carbohydrate recognition domain of galectin-3.
J. Am. Chem. Soc., 132, 2010
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2XHT
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | (3-TERT-BUTYL-4-HYDROXYPHENYL)MORPHOLIN-4-YL-METHANONE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-06-21 | | Release date: | 2010-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
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2XEN
 | | Structural Determinants for Improved Thermal Stability of Designed Ankyrin Repeat Proteins With a Redesigned C-capping Module. | | Descriptor: | 1,2-ETHANEDIOL, METHANOL, NI1C MUT4, ... | | Authors: | Kramer, M, Wetzel, S.K, Pluckthun, A, Mittl, P, Grutter, M. | | Deposit date: | 2010-05-17 | | Release date: | 2010-08-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Determinants for Improved Thermal Stability of Designed Ankyrin Repeat Proteins with a Redesigned C-Capping Module.
J.Mol.Biol., 404, 2010
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2XIW
 | | Crystal structure of the Sac7d-derived IgG1-binder C3-C24S | | Descriptor: | CHLORIDE ION, DNA-BINDING PROTEIN 7D, SULFATE ION | | Authors: | Bellinzoni, M, Colinet, S, Behar, G, Alzari, P.M, Pecorari, F. | | Deposit date: | 2010-07-01 | | Release date: | 2011-07-13 | | Last modified: | 2013-04-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Tolerance of the Archaeal Sac7D Scaffold Protein to Alternative Library Designs: Characterization of Anti-Immunoglobulin G Affitins.
Protein Eng.Des.Sel., 26, 2013
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2VG5
 | | Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors | | Descriptor: | O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H | | Authors: | Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M. | | Deposit date: | 2007-11-08 | | Release date: | 2007-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors.
Biochem.Biophys.Res.Commun., 365, 2008
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2V9B
 | | X-ray structure of viscotoxin B2 from Viscum album | | Descriptor: | SULFATE ION, VISCOTOXIN-B | | Authors: | Debreczeni, J.E, Pal, A, Kahle, B, Zeeck, A, Sheldrick, G.M. | | Deposit date: | 2007-08-23 | | Release date: | 2008-06-17 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Structures of viscotoxins A1 and B2 from European mistletoe solved using native data alone.
Acta Crystallogr. D Biol. Crystallogr., 64, 2008
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