2WK8
 
 | | Structure of holo form of Vibrio cholerae CqsA | | Descriptor: | CAI-1 AUTOINDUCER SYNTHASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | Authors: | Jahan, N, Potter, J.A, Sheikh, M.A, Botting, C.H, Shirran, S.L, Westwood, N.J, Taylor, G.L. | | Deposit date: | 2009-06-08 | | Release date: | 2009-07-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Insights Into the Biosynthesis of the Vibrio Cholerae Major Autoinducer Cai-1 from the Crystal Structure of the Plp-Dependent Enzyme Cqsa.
J.Mol.Biol., 392, 2009
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2X5N
 | | Crystal Structure of the SpRpn10 VWA domain | | Descriptor: | 26S PROTEASOME REGULATORY SUBUNIT RPN10, SULFATE ION | | Authors: | Riedinger, C, Boehringer, J, Trempe, J.-F, Lowe, E.D, Brown, N.R, Gehring, K, Noble, M.E.M, Gordon, C, Endicott, J.A. | | Deposit date: | 2010-02-10 | | Release date: | 2010-08-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The Structure of Rpn10 and its Interactions with Polyubiquitin Chains and the Proteasome Subunit Rpn12.
J.Biol.Chem., 285, 2010
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3NDD
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3NGH
 | | Molecular Analysis of the Interaction of the HDL Receptor SR-BI with the Adaptor Protein PDZK1 | | Descriptor: | PDZ domain-containing protein 1 | | Authors: | Kocher, O, Birrane, G, Krieger, M, Ladias, J.A. | | Deposit date: | 2010-06-11 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | In vitro and in vivo analysis of the binding of the C terminus of the HDL receptor scavenger receptor class B, type I (SR-BI), to the PDZ1 domain of its adaptor protein PDZK1.
J.Biol.Chem., 285, 2010
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3NKF
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2X0K
 | | Crystal structure of modular FAD synthetase from Corynebacterium ammoniagenes | | Descriptor: | PYROPHOSPHATE, RIBOFLAVIN BIOSYNTHESIS PROTEIN RIBF, SULFATE ION | | Authors: | Herguedas, B, Hermoso, J.A, Martinez-Julvez, M, Medina, M, Frago, S. | | Deposit date: | 2009-12-15 | | Release date: | 2010-05-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Oligomeric State in the Crystal Structure of Modular Fad Synthetase Provides Insights Into its Sequential Catalysis in Prokaryotes
J.Mol.Biol., 400, 2010
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2WKA
 | | Structure of Plp_Thr_decanoyl-CoA aldimine form of Vibrio cholerae CqsA | | Descriptor: | CAI-1 AUTOINDUCER SYNTHASE, CHLORIDE ION, SULFATE ION, ... | | Authors: | Jahan, N, Potter, J.A, Sheikh, M.A, Botting, C.H, Shirran, S.L, Westwood, N.J, Taylor, G.L. | | Deposit date: | 2009-06-08 | | Release date: | 2009-07-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Insights Into the Biosynthesis of the Vibrio Cholerae Major Autoinducer Cai-1 from the Crystal Structure of the Plp-Dependent Enzyme Cqsa.
J.Mol.Biol., 392, 2009
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3OX1
 | | X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-{2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl}acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A, Mesecar, A.D. | | Deposit date: | 2010-09-21 | | Release date: | 2011-05-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
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3OZY
 | | Crystal structure of enolase superfamily member from Bordetella bronchiseptica complexed with Mg and m-Xylarate | | Descriptor: | ACETIC ACID, D-xylaric acid, GLYCEROL, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2010-09-27 | | Release date: | 2011-09-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.2994 Å) | | Cite: | Crystal structure of enolase superfamily member from Bordetella bronchiseptica complexed with Mg and m-Xylarate
To be Published
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2X04
 | | Crystal structure of the PABC-TNRC6C complex | | Descriptor: | POLYADENYLATE-BINDING PROTEIN 1, SULFATE ION, TRINUCLEOTIDE REPEAT-CONTAINING GENE 6C PROTEIN | | Authors: | Jinek, M, Fabian, M.R, Coyle, S.M, Sonenberg, N, Doudna, J.A. | | Deposit date: | 2009-12-04 | | Release date: | 2010-01-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural Insights Into the Human Gw182-Pabc Interaction in Microrna-Mediated Deadenylation
Nat.Struct.Mol.Biol., 17, 2010
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2WK7
 | | Structure of apo form of Vibrio cholerae CqsA | | Descriptor: | CAI-1 AUTOINDUCER SYNTHASE, SULFATE ION | | Authors: | Jahan, N, Potter, J.A, Sheikh, M.A, Botting, C.H, Shirran, S.L, Westwood, N.J, Taylor, G.L. | | Deposit date: | 2009-06-08 | | Release date: | 2009-07-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insights Into the Biosynthesis of the Vibrio Cholerae Major Autoinducer Cai-1 from the Crystal Structure of the Plp-Dependent Enzyme Cqsa.
J.Mol.Biol., 392, 2009
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3P2S
 | | Crystal structure of the fluoroacetyl-CoA-specific thioesterase FlK in an open conformation | | Descriptor: | Fluoroacetyl coenzyme A thioesterase | | Authors: | Weeks, A.M, Coyle, S.M, Jinek, M, Doudna, J.A, Chang, M.C.Y. | | Deposit date: | 2010-10-04 | | Release date: | 2010-10-20 | | Last modified: | 2011-11-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and biochemical studies of a fluoroacetyl-CoA-specific thioesterase reveal a molecular basis for fluorine selectivity.
Biochemistry, 49, 2010
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2XI9
 | | Pilus-presented adhesin, Spy0125 (Cpa), P1 form | | Descriptor: | ANCILLARY PROTEIN 1 | | Authors: | Pointon, J.A, Smith, W.D, Saalbach, G, Crow, A, Kehoe, M.A, Banfield, M.J. | | Deposit date: | 2010-06-28 | | Release date: | 2010-08-04 | | Last modified: | 2019-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Highly Unusual Thioester Bond in a Pilus Adhesin is Required for Efficient Host Cell Interaction
J.Biol.Chem., 285, 2010
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2XCN
 | | Crystal structure of HCV NS3 protease with a boronate inhibitor | | Descriptor: | MAGNESIUM ION, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, NS3 PROTEASE, ... | | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | | Deposit date: | 2010-04-23 | | Release date: | 2010-06-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
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2XBA
 | | Structure of Human Anaplastic Lymphoma Kinase in complex with PHA- E429 | | Descriptor: | 5-[(2R)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium, ALK TYROSINE KINASE RECEPTOR | | Authors: | Bossi, R.T, Saccardo, M.B, Ardini, E, Menichincheri, M, Rusconi, L, Magnaghi, P, Orsini, P, Fogliatto, G, Bertrand, J.A. | | Deposit date: | 2010-04-08 | | Release date: | 2010-07-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structures of Anaplastic Lymphoma Kinase in Complex with ATP Competitive Inhibitors.
Biochemistry, 49, 2010
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2XCF
 | | Crystal structure of HCV NS3 protease with a boronate inhibitor | | Descriptor: | CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, MAGNESIUM ION, NS3 PROTEASE, ... | | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | | Deposit date: | 2010-04-22 | | Release date: | 2010-06-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
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3OZM
 | | Crystal structure of enolase superfamily member from Bordetella bronchiseptica complexed with Mg, m-Xylarate and L-Lyxarate | | Descriptor: | D-xylaric acid, GLYCEROL, L-arabinaric acid, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2010-09-25 | | Release date: | 2011-09-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of enolase superfamily member from Bordetella bronchiseptica complexed with Mg, m-Xylarate and L-Lyxarate
TO BE PUBLISHED
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3OS9
 | | Estrogen Receptor | | Descriptor: | 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor | | Authors: | Bruning, J, Parent, A.A, Gil, G, Zhao, M, Nowak, J, Pace, M.C, Smith, C.L, Afonine, P.V, Adams, P.D, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2010-09-08 | | Release date: | 2010-11-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
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3MZN
 | | Crystal structure of probable glucarate dehydratase from chromohalobacter salexigens dsm 3043 | | Descriptor: | ACETATE ION, GLYCEROL, Glucarate dehydratase, ... | | Authors: | Patskovsky, Y, Toro, R, Rutter, M, Sauder, J.M, Gerlt, J.A, Almo, S.C, Burley, S.K, New York Structural GenomiX Research Consortium (NYSGXRC), New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-05-12 | | Release date: | 2010-05-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of Glucarate Dehydratase from Chromohalobacter Salexigens
To be Published
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3MXP
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS T62A at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Schlessman, J.L, Garcia-Moreno, E.B, Heroux, A. | | Deposit date: | 2010-05-07 | | Release date: | 2011-03-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3MZ5
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS L103A at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Schlessman, J.L, Garcia-Moreno, E.B, Heroux, A. | | Deposit date: | 2010-05-11 | | Release date: | 2011-03-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2V36
 | | Crystal structure of gamma-glutamyl transferase from Bacillus subtilis | | Descriptor: | GAMMA-GLUTAMYLTRANSPEPTIDASE LARGE CHAIN, GAMMA-GLUTAMYLTRANSPEPTIDASE SMALL CHAIN | | Authors: | Sharath, B, Prabhune, A.A, Suresh, C.G, Wilkinson, A.J, Brannigan, J.A. | | Deposit date: | 2007-06-13 | | Release date: | 2008-07-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of Gamma-Glutamyl Transferase
To be Published
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2W1E
 | | Structure determination of Aurora Kinase in complex with inhibitor | | Descriptor: | 4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-5-YL)METHYL]MORPHOLIN-4-IUM, SERINE/THREONINE-PROTEIN KINASE 6 | | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | | Deposit date: | 2008-10-17 | | Release date: | 2009-01-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
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2W1I
 | | Structure determination of Aurora Kinase in complex with inhibitor | | Descriptor: | 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM, JAK2 | | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | | Deposit date: | 2008-10-17 | | Release date: | 2009-01-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
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2VSL
 | | Crystal Structure of XIAP BIR3 with a Bivalent Smac Mimetic | | Descriptor: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4, PEPTIDE (MAA-LYS-PRO-PHE), POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2008-04-24 | | Release date: | 2008-09-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Interaction of a Cyclic, Bivalent Smac Mimetic with the X-Linked Inhibitor of Apoptosis Protein.
Biochemistry, 47, 2008
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