4MJR
 
 | | E. coli sliding clamp in complex with (S)-Carprofen | | Descriptor: | (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Yin, Z, Oakley, A.J. | | Deposit date: | 2013-09-04 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | DNA replication is the target for the antibacterial effects of nonsteroidal anti-inflammatory drugs.
Chem.Biol., 21, 2014
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6FJK
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP6 and ADP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | | Deposit date: | 2018-01-22 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.025 Å) | | Cite: | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
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2AC0
 | | Structural Basis of DNA Recognition by p53 Tetramers (complex I) | | Descriptor: | 5'-D(*CP*GP*GP*GP*CP*AP*TP*GP*CP*CP*CP*G)-3', Cellular tumor antigen p53, ZINC ION | | Authors: | Kitayner, M, Rozenberg, H, Kessler, N, Rabinovich, D, Shakked, Z. | | Deposit date: | 2005-07-18 | | Release date: | 2006-07-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis of DNA Recognition by p53 Tetramers
Mol.Cell, 22, 2006
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5XOU
 | | Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 7T8 on the guide strand | | Descriptor: | DNA (5'-D(*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(P*TP*GP*AP*GP*GP*TP*AP*TP*GP*GP*TP*TP*GP*T)-3'), MAGNESIUM ION, ... | | Authors: | Sheng, G, Wang, J, Zhao, H, Wang, Y. | | Deposit date: | 2017-05-31 | | Release date: | 2017-10-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes
Nucleic Acids Res., 45, 2017
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2AEL
 | | R304K Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4R)-7-Azabisabolene | | Descriptor: | (1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Vedula, L.S, Cane, D.E, Christianson, D.W. | | Deposit date: | 2005-07-22 | | Release date: | 2005-10-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Role of arginine-304 in the diphosphate-triggered active site closure mechanism of trichodiene synthase.
Biochemistry, 44, 2005
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1Q9S
 | | Crystal structure of riboflavin kinase with ternary product complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, ... | | Authors: | Karthikeyan, S, Zhou, Q, Osterman, A.L, Zhang, H. | | Deposit date: | 2003-08-25 | | Release date: | 2003-12-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Ligand binding-induced conformational changes in riboflavin kinase: structural basis for the ordered mechanism.
Biochemistry, 42, 2003
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4MJP
 | | E. coli sliding clamp in complex with (R)-Vedaprofen | | Descriptor: | (2R)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Yin, Z, Oakley, A.J. | | Deposit date: | 2013-09-04 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.855 Å) | | Cite: | DNA replication is the target for the antibacterial effects of nonsteroidal anti-inflammatory drugs.
Chem.Biol., 21, 2014
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1H82
 | | STRUCTURE OF POLYAMINE OXIDASE IN COMPLEX WITH GUAZATINE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, N-{8-[(8-{[(E)-AMINO(IMINO)METHYL]AMINO}OCTYL)AMINO]OCTYL}GUANIDINE, ... | | Authors: | Binda, C, Coda, A, Angelini, R, Federico, R, Ascenzi, P, Mattevi, A. | | Deposit date: | 2001-01-24 | | Release date: | 2001-01-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Bases for Inhibitor Binding and Catalysis in Polyamine Oxidase
Biochemistry, 40, 2001
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2ADY
 | | Structural Basis of DNA Recognition by p53 Tetramers (complex IV) | | Descriptor: | 5'-D(*CP*GP*GP*AP*CP*AP*TP*GP*TP*CP*CP*G)-3', Cellular tumor antigen p53, ZINC ION | | Authors: | Kitayner, M, Rozenberg, H, Kessler, N, Rabinovich, D, Shakked, Z. | | Deposit date: | 2005-07-21 | | Release date: | 2006-07-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis of DNA Recognition by p53 Tetramers
Mol.Cell, 22, 2006
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4MRE
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4MIE
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5XPG
 | | Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 6'U7' on the target strand | | Descriptor: | 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*A P*GP*T)-3', 5'-R(*UP*AP*U*AP*CP*AP*AP*CP*CP*UP*AP*CP*AP*UP*AP*CP*CP*UP*CP* G)-3', MAGNESIUM ION, ... | | Authors: | Sheng, G, Gogakos, T, Wang, J, Zhao, H, Serganov, A, Juranek, S, Tuschl, T, Patel, J.D, Wang, Y. | | Deposit date: | 2017-06-02 | | Release date: | 2018-04-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes.
Nucleic Acids Res., 45, 2017
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6FQE
 | | Phosphotriesterase PTE_A53_4 | | Descriptor: | (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | | Deposit date: | 2018-02-14 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Phosphotriesterase
PTE_A53_4
To Be Published
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4MOV
 | | 1.45 A Resolution Crystal Structure of Protein Phosphatase 1 | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2013-09-12 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4503 Å) | | Cite: | Understanding the antagonism of retinoblastoma protein dephosphorylation by PNUTS provides insights into the PP1 regulatory code.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4MP4
 | | Crystal structure of a glutathione transferase family member from Acinetobacter baumannii, Target EFI-501785, apo structure | | Descriptor: | Glutathione S-transferase, SULFATE ION | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-09-12 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.498 Å) | | Cite: | Crystal structure of a glutathione transferase family member from Acinetobacter baumannii, Target EFI-501785, apo structure
To be Published
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1QPB
 | | PYRUVATE DECARBOYXLASE FROM YEAST (FORM B) COMPLEXED WITH PYRUVAMIDE | | Descriptor: | MAGNESIUM ION, PYRUVAMIDE, PYRUVATE DECARBOXYLASE (FORM B), ... | | Authors: | Lu, G, Dobritzsch, D, Schneider, G. | | Deposit date: | 1999-11-26 | | Release date: | 2000-02-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Structural Basis of Substrate Activation in Yeast Pyruvate Decarboxylase a Crystallographic and Kinetic Study
Eur.J.Biochem., 267, 2000
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4MQG
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1QQ7
 | | STRUCTURE OF L-2-HALOACID DEHALOGENASE FROM XANTHOBACTER AUTOTROPHICUS WITH CHLOROPROPIONIC ACID COVALENTLY BOUND | | Descriptor: | CHLORIDE ION, PROTEIN (L-2-HALOACID DEHALOGENASE) | | Authors: | Ridder, I.S, Rozeboom, H.J, Kalk, K.H, Dijkstra, B.W. | | Deposit date: | 1999-06-11 | | Release date: | 1999-10-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of intermediates in the dehalogenation of haloalkanoates by L-2-haloacid dehalogenase.
J.Biol.Chem., 274, 1999
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1QQN
 | | D206S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK PROTEIN | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, D206S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK PROTEIN, ... | | Authors: | Johnson, E.R, McKay, D.B. | | Deposit date: | 1999-06-07 | | Release date: | 1999-09-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mapping the role of active site residues for transducing an ATP-induced conformational change in the bovine 70-kDa heat shock cognate protein.
Biochemistry, 38, 1999
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2A92
 | | Crystal structure of lactate dehydrogenase from Plasmodium vivax: complex with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase | | Authors: | Chaikuad, A, Fairweather, V, Conners, R, Joseph-Horne, T, Turgut-Balik, D, Brady, R.L. | | Deposit date: | 2005-07-11 | | Release date: | 2006-01-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structure of Lactate Dehydrogenase from Plasmodium vivax: Complexes with NADH and APADH.
Biochemistry, 44, 2005
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4MR5
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-OH) | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ... | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-09-17 | | Release date: | 2013-11-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
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2A3M
 | | Structure of Desulfovibrio desulfuricans G20 tetraheme cytochrome (oxidized form) | | Descriptor: | COG3005: Nitrate/TMAO reductases, membrane-bound tetraheme cytochrome c subunit, HEME C | | Authors: | Pattarkine, M.V, Tanner, J.J, Bottoms, C.A, Lee, Y.H, Wall, J.D. | | Deposit date: | 2005-06-25 | | Release date: | 2006-04-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Desulfovibrio desulfuricans G20 Tetraheme Cytochrome Structure at 1.5A and Cytochrome Interaction with Metal Complexes
J.Mol.Biol., 358, 2006
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4MRD
 | | Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule | | Descriptor: | CD44 antigen, SULFATE ION, beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Liu, L.K, Finzel, B. | | Deposit date: | 2013-09-17 | | Release date: | 2014-04-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Fragment-Based Identification of an Inducible Binding Site on Cell Surface Receptor CD44 for the Design of Protein-Carbohydrate Interaction Inhibitors.
J.Med.Chem., 57, 2014
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4MR3
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-OH) | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-09-17 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4MVL
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