4B8T
 
 | | RNA BINDING PROTEIN Solution structure of the third KH domain of KSRP in complex with the G-rich target sequence. | | Descriptor: | 5'-R(*AP*GP*GP*GP*UP)-3', KH-TYPE SPLICING REGULATORY PROTEIN | | Authors: | Nicastro, G, Garcia-Mayoral, M.F, Hollingworth, D, Kelly, G, Martin, S.R, Briata, P, Gherzi, R, Ramos, A. | | Deposit date: | 2012-08-30 | | Release date: | 2012-11-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Noncanonical G Recognition Mediates Ksrp Regulation of Let-7 Biogenesis
Nat.Struct.Mol.Biol., 19, 2012
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8RTZ
 | | The structure of E. coli penicillin binding protein 3 (PBP3) in complex with a bicyclic peptide inhibitor | | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Bicyclic peptide inhibitor, Peptidoglycan D,D-transpeptidase FtsI | | Authors: | Newman, H, Rowland, C.E, Dods, R, Lewis, N, Stanway, S.J, Bellini, D, Beswick, P. | | Deposit date: | 2024-01-29 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery and chemical optimisation of a Potent, Bi-cyclic (Bicycle) Antimicrobial Inhibitor of Escherichia coli PBP3
To Be Published
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4KAF
 | | Crystal Structure of Haloalkane dehalogenase HaloTag7 at the resolution 1.5A, Northeast Structural Genomics Consortium (NESG) Target OR151 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Haloalkane dehalogenase, ... | | Authors: | Kuzin, A.P, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Crews, C, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-04-22 | | Release date: | 2013-06-05 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.496 Å) | | Cite: | Northeast Structural Genomics Consortium Target OR151
To be Published
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4KAA
 | | Crystal structure of the halotag2 protein at the resolution 2.3A, Northeast Structural Genomics Consortium (NESG) target OR150 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Haloalkane dehalogenase, SODIUM ION | | Authors: | Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Crews, C, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-04-22 | | Release date: | 2013-06-05 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.276 Å) | | Cite: | Northeast Structural Genomics Consortium Target OR150
To be Published
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2XW9
 | | Crystal Structure of Complement Factor D mutant S183A | | Descriptor: | COMPLEMENT FACTOR D, GLYCEROL | | Authors: | Forneris, F, Ricklin, D, Wu, J, Tzekou, A, Wallace, R.S, Lambris, J.D, Gros, P. | | Deposit date: | 2010-11-01 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structures of C3B in Complex with Factors B and D Give Insight Into Complement Convertase Formation.
Science, 330, 2010
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4KAJ
 | | X-Ray Structure of the complex of Haloalkane dehalogenase HaloTag7 with HALTS, Northeast Structural Genomics Consortium (NESG) Target OR151 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Crews, C.M, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-04-22 | | Release date: | 2013-06-05 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.948 Å) | | Cite: | Northeast Structural Genomics Consortium Target OR151
To be Published
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2WIH
 | | STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125 | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ... | | Authors: | Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M. | | Deposit date: | 2009-05-13 | | Release date: | 2009-07-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52, 2009
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2X7E
 | | Crystal structure of human kinesin Eg5 in complex with (R)-fluorastrol | | Descriptor: | (4R)-5-[(S)-(3,4-DIFLUOROPHENYL)(HYDROXY)METHYL]-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-3,4-DIHYDROPYRIMIDINE-2(1H)-THIONE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ... | | Authors: | Kaan, H.Y.K, Ulaganathan, V, Rath, O, Laggner, C, Prokopcova, H, Dallinger, D, Kappe, C.O, Kozielski, F. | | Deposit date: | 2010-02-26 | | Release date: | 2010-07-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis for Inhibition of Eg5 by Dihydropyrimidines: Stereoselectivity of Antimitotic Inhibitors Enastron, Dimethylenastron and Fluorastrol.
J.Med.Chem., 53, 2010
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4AZ3
 | | crystal structure of cathepsin a, complexed with 15a | | Descriptor: | (3S)-3-({[1-(2-fluorophenyl)-5-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-1H-pyrazol-3-yl]carbonyl}amino)-3-(2-methylphenyl)propanoic 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 (2.04 Å) | | Cite: | Novel Beta-Amino Acid Derivatives as Inhibitors of Cathepsin A.
J.Med.Chem., 55, 2012
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2XWA
 | | Crystal Structure of Complement Factor D Mutant R202A | | Descriptor: | COMPLEMENT FACTOR D, GLYCEROL | | Authors: | Forneris, F, Ricklin, D, Wu, J, Tzekou, A, Wallace, R.S, Lambris, J.D, Gros, P. | | Deposit date: | 2010-11-01 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of C3B in Complex with Factors B and D Give Insight Into Complement Convertase Formation.
Science, 330, 2010
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4KAC
 | | X-Ray Structure of the complex HaloTag2 with HALTS. Northeast Structural Genomics Consortium (NESG) Target OR150. | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, AMMONIUM ION, Haloalkane dehalogenase, ... | | Authors: | Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Crews, C.M, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-04-22 | | Release date: | 2013-06-05 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.223 Å) | | Cite: | Northeast Structural Genomics Consortium Target OR150
To be Published
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3V6Y
 | | crystal structure of FBF-2 in complex with a mutant gld-1 FBEa13 RNA | | Descriptor: | Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*AP*CP*UP*GP*UP*GP*CP*CP*AP*UP*AP*C)-3') | | Authors: | Qiu, C, Kershner, A, Wang, Y, Holley, C.H, Wilinski, D, Keles, S, Kimble, J, Wickens, M, Hall, T.M.T. | | Deposit date: | 2011-12-20 | | Release date: | 2012-01-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Divergence of PUF protein specificity through variations in an RNA-binding pocket
J.Biol.Chem., 2012
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3V74
 | | crystal structure of FBF-2 in complex with gld-1 FBEa13 RNA | | Descriptor: | Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*CP*AP*UP*GP*UP*GP*CP*CP*AP*UP*AP*C)-3') | | Authors: | Wang, Y, Qiu, C, Kershner, A, Holley, C.P, Wilinski, D, Keles, S, Kimble, J, Wickens, M, Hall, T.M.T. | | Deposit date: | 2011-12-20 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Divergence of PUF protein specificity through variations in an RNA-binding pocket
J.Biol.Chem., 2012
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2XWJ
 | | Crystal Structure of Complement C3b in Complex with Factor B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3 ALPHA CHAIN, COMPLEMENT C3 BETA CHAIN, ... | | Authors: | Forneris, F, Ricklin, D, Wu, J, Tzekou, A, Wallace, R.S, Lambris, J.D, Gros, P. | | Deposit date: | 2010-11-04 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Structures of C3B in Complex with Factors B and D Give Insight Into Complement Convertase Formation.
Science, 330, 2010
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2XWB
 | | Crystal Structure of Complement C3b in complex with Factors B and D | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3B ALPHA' CHAIN, ... | | Authors: | Forneris, F, Ricklin, D, Wu, J, Tzekou, A, Wallace, R.S, Lambris, J.D, Gros, P. | | Deposit date: | 2010-11-01 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.49 Å) | | Cite: | Structures of C3B in Complex with Factors B and D Give Insight Into Complement Convertase Formation.
Science, 330, 2010
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4AE8
 | | Crystal structure of human THEM4 | | Descriptor: | THIOESTERASE SUPERFAMILY MEMBER 4 | | Authors: | Zhuravleva, E, Gut, H, Hynx, D, Marcellin, D, Bleck, C.K.E, Genoud, C, Cron, P, Keusch, J.J, Dummler, B, Degli Esposti, M, Hemmings, B.A. | | Deposit date: | 2012-01-09 | | Release date: | 2012-07-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.594 Å) | | Cite: | Acyl Coenzyme a Thioesterase Them5/Acot15 is Involved in Cardiolipin Remodeling and Fatty Liver Development.
Mol.Cell.Biol., 32, 2012
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2X7C
 | | Crystal structure of human kinesin Eg5 in complex with (S)-enastron | | Descriptor: | (S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2,3,4,7,8-HEXAHYDROQUINAZOLIN-5(6H)-ONE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ... | | Authors: | Kaan, H.Y.K, Ulaganathan, V, Rath, O, Laggner, C, Prokopcova, H, Dallinger, D, Kappe, C.O, Kozielski, F. | | Deposit date: | 2010-02-26 | | Release date: | 2010-07-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for Inhibition of Eg5 by Dihydropyrimidines: Stereoselectivity of Antimitotic Inhibitors Enastron, Dimethylenastron and Fluorastrol.
J.Med.Chem., 53, 2010
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3V71
 | | Crystal structure of PUF-6 in complex with 5BE13 RNA | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Puf (Pumilio/fbf) domain-containing protein 7, confirmed by transcript evidence, ... | | Authors: | Qiu, C, Kershner, A, Wang, Y, Holley, C.H, Wilinski, D, Keles, S, Kimble, J, Wickens, M, Hall, T.M.T. | | Deposit date: | 2011-12-20 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | Divergence of PUF protein specificity through variations in an RNA-binding pocket
J.Biol.Chem., 2012
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2X7D
 | | Crystal structure of human kinesin Eg5 in complex with (S)-dimethylenastron | | Descriptor: | (4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHYL-2-THIOXO-2,3,4,6,7,8-HEXAHYDROQUINAZOLIN-5(1H)-ONE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ... | | Authors: | Kaan, H.Y.K, Ulaganathan, V, Rath, O, Laggner, C, Prokopcova, H, Dallinger, D, Kappe, C.O, Kozielski, F. | | Deposit date: | 2010-02-26 | | Release date: | 2010-07-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for Inhibition of Eg5 by Dihydropyrimidines: Stereoselectivity of Antimitotic Inhibitors Enastron, Dimethylenastron and Fluorastrol.
J.Med.Chem., 53, 2010
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2UUI
 | | Crystal structure of Human Leukotriene C4 Synthase | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, LEUKOTRIENE C4 SYNTHASE, NICKEL (II) ION, ... | | Authors: | Martinez Molina, D, Wetterholm, A, Kohl, A, McCarthy, A.A, Niegowski, D, Ohlson, E, Hammarberg, T, Eshaghi, S, Haeggstrom, J.Z, Nordlund, P. | | Deposit date: | 2007-03-02 | | Release date: | 2007-07-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for Synthesis of Inflammatory Mediators by Human Leukotriene C4 Synthase.
Nature, 448, 2007
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2XQH
 | | Crystal structure of an immunoglobulin-binding fragment of the trimeric autotransporter adhesin EibD | | Descriptor: | CHLORIDE ION, IMMUNOGLOBULIN-BINDING PROTEIN EIBD | | Authors: | Leo, J.C, Lyskowski, A, Hartmann, M, Schwarz, H, Linke, D, Lupas, A.N, Goldman, A. | | Deposit date: | 2010-09-02 | | Release date: | 2011-07-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The Structure of E. Coli Igg-Binding Protein D Suggests a General Model for Bending and Binding in Trimeric Autotransporter Adhesins.
Structure, 19, 2011
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2WIP
 | | STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID | | Descriptor: | 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, ... | | Authors: | Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M. | | Deposit date: | 2009-05-14 | | Release date: | 2009-07-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52, 2009
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4AE7
 | | Crystal structure of human THEM5 | | Descriptor: | THIOESTERASE SUPERFAMILY MEMBER 5 | | Authors: | Zhuravleva, E, Gut, H, Hynx, D, Marcellin, D, Bleck, C.K.E, Genoud, C, Cron, P, Keusch, J.J, Dummler, B, Degli Esposti, M, Hemmings, B.A. | | Deposit date: | 2012-01-09 | | Release date: | 2012-07-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Acyl Coenzyme a Thioesterase Them5/Acot15 is Involved in Cardiolipin Remodeling and Fatty Liver Development.
Mol.Cell.Biol., 32, 2012
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2X8X
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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
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