4J1R
 
 | | Crystal Structure of GSK3b in complex with inhibitor 15R | | Descriptor: | (2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION, ... | | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-02-01 | | Release date: | 2013-03-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
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2Z5S
 | | Molecular basis for the inhibition of p53 by Mdmx | | Descriptor: | Cellular tumor antigen p53, Mdm4 protein | | Authors: | Popowicz, G.M, Czarna, A, Rothweiler, U, Szwagierczak, A, Holak, T.A. | | Deposit date: | 2007-07-17 | | Release date: | 2007-11-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis for the inhibition of p53 by Mdmx.
Cell Cycle, 6, 2007
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1WMQ
 | | Structure of the HutP antitermination complex bound to a single stranded region of hut mRNA | | Descriptor: | 5'-R(P*UP*UP*UP*AP*GP*UP*U)-3', HISTIDINE, Hut operon positive regulatory protein, ... | | Authors: | Kumarevel, T.S, Mizuno, H, Kumar, P.K.R. | | Deposit date: | 2004-07-14 | | Release date: | 2005-03-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis of HutP-mediated anti-termination and roles of the Mg2+ ion and L-histidine ligand.
Nature, 434, 2005
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1WQ5
 | | Crystal structure of tryptophan synthase alpha-subunit from Escherichia coli | | Descriptor: | GLYCEROL, SULFATE ION, Tryptophan synthase alpha chain | | Authors: | Nishio, K, Morimoto, Y, Ishizuka, M, Ogasahara, K, Yutani, K, Tsukihara, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-09-22 | | Release date: | 2005-02-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conformational Changes in the alpha-Subunit Coupled to Binding of the beta(2)-Subunit of Tryptophan Synthase from Escherichia coli: Crystal Structure of the Tryptophan Synthase alpha-Subunit Alon
Biochemistry, 44, 2005
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7L1F
 | | SARS-CoV-2 RdRp in complex with 4 Remdesivir monophosphate | | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA (5'-R(P*AP*UP*UP*UP*UP*AP*AP*UP*AP*GP*CP*UP*UP*CP*UP*UP*AP*G)-3'), ... | | Authors: | Bravo, J.P.K, Taylor, D.W. | | Deposit date: | 2020-12-14 | | Release date: | 2021-02-10 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.89 Å) | | Cite: | Remdesivir is a delayed translocation inhibitor of SARS-CoV-2 replication.
Mol.Cell, 81, 2021
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1X0R
 | | Thioredoxin Peroxidase from Aeropyrum pernix K1 | | Descriptor: | 1,2-ETHANEDIOL, Probable peroxiredoxin | | Authors: | Nakamura, T, Yamamoto, T, Inoue, T, Matsumura, H, Kobayashi, A, Hagihara, Y, Uegaki, K, Ataka, M, Kai, Y, Ishikawa, K. | | Deposit date: | 2005-03-28 | | Release date: | 2005-12-20 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of thioredoxin peroxidase from aerobic hyperthermophilic archaeon Aeropyrum pernix K1
Proteins, 62, 2006
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4J71
 | | Crystal Structure of GSK3b in complex with inhibitor 1R | | Descriptor: | (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, CHLORIDE ION, Glycogen synthase kinase-3 beta, ... | | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-02-12 | | Release date: | 2013-03-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
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2WY1
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2WXW
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4AG6
 | | Structure of VirB4 of Thermoanaerobacter pseudethanolicus | | Descriptor: | SULFATE ION, TYPE IV SECRETORY PATHWAY VIRB4 COMPONENTS-LIKE PROTEIN | | Authors: | Wallden, K, Williams, R, Yan, J, Lian, P.W, Wang, L, Thalassinos, K, Orlova, E.V, Waksman, G. | | Deposit date: | 2012-01-24 | | Release date: | 2012-07-04 | | Last modified: | 2012-07-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of the Virb4 ATPase, Alone and Bound to the Core Complex of a Type Iv Secretion System.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1IB1
 | | CRYSTAL STRUCTURE OF THE 14-3-3 ZETA:SEROTONIN N-ACETYLTRANSFERASE COMPLEX | | Descriptor: | 14-3-3 ZETA ISOFORM, COA-S-ACETYL TRYPTAMINE, SEROTONIN N-ACETYLTRANSFERASE | | Authors: | Obsil, T, Ghirlando, R, Klein, D.C, Ganguly, S, Dyda, F. | | Deposit date: | 2001-03-26 | | Release date: | 2001-05-02 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the 14-3-3zeta:serotonin N-acetyltransferase complex. a role for scaffolding in enzyme regulation.
Cell(Cambridge,Mass.), 105, 2001
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7JVV
 | | Crystal structure of human histone deacetylase 8 (HDAC8) E66D/Y306F double mutation complexed with a tetrapeptide substrate | | Descriptor: | 1,2-ETHANEDIOL, ACE-ARG-HIS-ALY-ALY-MCM, GLYCEROL, ... | | Authors: | Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M. | | Deposit date: | 2020-08-24 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders.
J.Struct.Biol., 213, 2020
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7JPU
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2Z5T
 | | Molecular basis for the inhibition of p53 by Mdmx | | Descriptor: | Cellular tumor antigen p53, Mdm4 protein | | Authors: | Popowicz, G.M, Czarna, A, Rothweiler, U, Szwagierczak, A, Holak, T.A. | | Deposit date: | 2007-07-17 | | Release date: | 2007-11-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis for the inhibition of p53 by Mdmx.
Cell Cycle, 6, 2007
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4DT6
 | | Co-crystal structure of eIF4E with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 7-[2-(4-chlorophenoxy)ethyl]guanosine 5'-(dihydrogen phosphate), Eukaryotic translation initiation factor 4E, ... | | Authors: | Min, X, Johnstone, S, Walker, N, Wang, Z. | | Deposit date: | 2012-02-20 | | Release date: | 2012-04-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction.
J.Med.Chem., 55, 2012
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2ZKC
 | | Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with bisphenol Z | | Descriptor: | 4,4'-cyclohexane-1,1-diyldiphenol, Estrogen-related receptor gamma, GLYCEROL | | Authors: | Matsushima, A, Kakuta, Y, Teramoto, T, Shimohigashi, Y. | | Deposit date: | 2008-03-14 | | Release date: | 2009-03-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with bisphenol Z
To be Published
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1VQ4
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1W5D
 | | Crystal structure of PBP4a from Bacillus subtilis | | Descriptor: | CALCIUM ION, PENICILLIN-BINDING PROTEIN | | Authors: | Sauvage, E, Herman, R, Petrella, S, Duez, C, Frere, J.M, Charlier, P. | | Deposit date: | 2004-08-06 | | Release date: | 2005-12-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of the Bacillus Subtilis Penicillin-Binding Protein 4A, and its Complex with a Peptidoglycan Mimetic Peptide.
J.Mol.Biol., 371, 2007
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1VKJ
 | | Crystal structure of heparan sulfate 3-O-sulfotransferase isoform 1 in the presence of PAP | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, SULFATE ION, heparan sulfate (glucosamine) 3-O-sulfotransferase 1 | | Authors: | Thorp, S, Lee, K.A, Negishi, M, Linhardt, R.J, Liu, J, Pedersen, L.C. | | Deposit date: | 2004-05-25 | | Release date: | 2004-06-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure and mutational analysis of heparan sulfate 3-O-sulfotransferase isoform 1
J.Biol.Chem., 279, 2004
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7JVU
 | | Crystal structure of human histone deacetylase 8 (HDAC8) I45T mutation complexed with SAHA | | Descriptor: | 1,2-ETHANEDIOL, Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ... | | Authors: | Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M. | | Deposit date: | 2020-08-24 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5004766 Å) | | Cite: | Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders.
J.Struct.Biol., 213, 2020
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1VQO
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1VJA
 | | Urokinase Plasminogen Activator B-Chain-JT463 Complex | | Descriptor: | N-(BENZYLSULFONYL)SERYL-N~1~-{4-[(Z)-AMINO(IMINO)METHYL]BENZYL}SERINAMIDE, SULFATE ION, plasminogen activator, ... | | Authors: | Schweinitz, A, Steinmetzer, T, Banke, I.J, Arlt, M.J.E, Stuerzebecher, A, Schuster, O, Geissler, A, Giersiefen, H, Zeslawska, E, Jacob, U, Kruger, A, Stuerzebecher, J. | | Deposit date: | 2004-02-03 | | Release date: | 2004-06-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design of novel and selective inhibitors of urokinase-type plasminogen activator with improved pharmacokinetic properties for use as antimetastatic agents
J.Biol.Chem., 279, 2004
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7KXB
 | | Crystal structure of SARS-CoV-2 Nsp3 Macrodomain complex with PARG329 | | Descriptor: | BETA-MERCAPTOETHANOL, N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea, Non-structural protein 3, ... | | Authors: | Arvai, A, Brosey, C.A, Bommagani, S, Link, T, Jones, D.E, Ahmed, Z, Tainer, J.A. | | Deposit date: | 2020-12-03 | | Release date: | 2021-02-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
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1W14
 | | UROKINASE TYPE PLASMINOGEN ACTIVATOR | | Descriptor: | N-[(2-PHENYLETHYL)SULFONYL]-D-SERYL-N-[(1S)-4-[(DIAMINOMETHYLENE)AMINO]-1-(HYDROXYMETHYL)BUTYL]-L-ALANINAMIDE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | Authors: | Jacob, U. | | Deposit date: | 2004-06-15 | | Release date: | 2008-05-20 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystals of Urokinase Type Plasminogen Activator Complexes Reveal the Binding Mode of Peptidomimetic Inhibitors.
J.Mol.Biol., 328, 2003
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1VS3
 | | Crystal Structure of the tRNA Pseudouridine Synthase TruA From Thermus thermophilus HB8 | | Descriptor: | tRNA pseudouridine synthase A | | Authors: | Dong, X, Bessho, Y, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-06-28 | | Release date: | 2006-12-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of tRNA pseudouridine synthase TruA from Thermus thermophilus HB8.
Rna Biol., 3, 2006
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