6HD3
 
 | | Common mode of remodeling AAA ATPases p97/CDC48 by their disassembly cofactors ASPL/PUX1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 48 homolog A, PHOSPHATE ION | | Authors: | Heinemann, U, Roske, Y, Banchenko, S, Arumughan, A, Petrovic, S. | | Deposit date: | 2018-08-17 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Common Mode of Remodeling AAA ATPases p97/CDC48 by Their Disassembling Cofactors ASPL/PUX1.
Structure, 27, 2019
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1PVU
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3I6N
 | | Mode of Binding of the Tuberculosis Prodrug Isoniazid to Peroxidases: Crystal Structure of Bovine Lactoperoxidase with Isoniazid at 2.7 Resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(DIAZENYLCARBONYL)PYRIDINE, CALCIUM ION, ... | | Authors: | Singh, A.K, Kumar, R.P, Pandey, N, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2009-07-07 | | Release date: | 2009-10-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mode of binding of the tuberculosis prodrug isoniazid to heme peroxidases: binding studies and crystal structure of bovine lactoperoxidase with isoniazid at 2.7 A resolution.
J.Biol.Chem., 285, 2010
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2R2K
 | | Crystal structure of the complex of camel peptidoglycan recognition protein with disaccharide at 3.2A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, L(+)-TARTARIC ACID, Peptidoglycan recognition protein | | Authors: | Sharma, P, Jain, R, Singh, N, Sharma, S, Bhushan, A, Kaur, P, Singh, T.P. | | Deposit date: | 2007-08-26 | | Release date: | 2007-09-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Crystal structure of the complex of camel peptidoglycan recognition protein with disaccharide at 3.2A resolution
To be Published
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2Q8J
 | | Crystal Structure of the complex of C-lobe of bovine lactoferrin with Mannitol and Mannose at 2.7 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | Authors: | Mir, R, Jain, R, Sinha, M, Singh, N, Sharma, S, Kaur, P, Bhushan, A, Singh, T.P. | | Deposit date: | 2007-06-11 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Crystal structure of the complex of C-lobe of bovine lactoferrin with Mannitol and Mannose at 2.7 A resolution
To be Published
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2O8D
 | | human MutSalpha (MSH2/MSH6) bound to ADP and a G dU mispair | | Descriptor: | 5'-D(*CP*CP*TP*AP*GP*CP*GP*(DU)P*GP*CP*GP*GP*TP*TP*C)-3', 5'-D(*GP*AP*AP*CP*CP*GP*CP*GP*CP*GP*CP*TP*AP*GP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | | Deposit date: | 2006-12-12 | | Release date: | 2007-06-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex.
Mol.Cell, 26, 2007
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2OLH
 | | Crystal structure of a signalling protein (SPG-40) complex with cellobiose at 2.78 A resolution | | Descriptor: | Chitinase-3-like protein 1, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Sharma, P, Singh, N, Sharma, S, Bhushan, A, Kaur, P, Singh, T.P. | | Deposit date: | 2007-01-19 | | Release date: | 2007-02-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Crystal structure of a signalling protein (SPG-40) complex with cellobiose at 2.78 A resolution
To be Published
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2MP2
 | | Solution structure of SUMO dimer in complex with SIM2-3 from RNF4 | | Descriptor: | E3 ubiquitin-protein ligase RNF4, Small ubiquitin-related modifier 3 | | Authors: | Xu, Y, Plechanovov, A, Simpson, P, Marchant, J, Leidecker, O, Sebastian, K, Hay, R.T, Matthews, S.J. | | Deposit date: | 2014-05-09 | | Release date: | 2014-07-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural insight into SUMO chain recognition and manipulation by the ubiquitin ligase RNF4.
Nat Commun, 5, 2014
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7L6D
 | | Crystal structure of the second bromodomain (BD2) of human BRD2 bound to bromosporine | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, Bromosporine, ... | | Authors: | Karim, M.R, Bikowitz, M.J, Chan, A, Schonbrunn, E. | | Deposit date: | 2020-12-23 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
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3E64
 | | Fragment based discovery of JAK-2 inhibitors | | Descriptor: | 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide, Tyrosine-protein kinase JAK2 | | Authors: | Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F. | | Deposit date: | 2008-08-14 | | Release date: | 2008-10-14 | | Last modified: | 2012-02-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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4I5I
 | | Crystal structure of the SIRT1 catalytic domain bound to NAD and an EX527 analog | | Descriptor: | (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Zhao, X, Allison, D, Condon, B, Zhang, F, Gheyi, T, Zhang, A, Ashok, S, Russell, M, Macewan, I, Qian, Y, Jamison, J.A, Luz, J.G. | | Deposit date: | 2012-11-28 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The 2.5 angstrom crystal structure of the SIRT1 catalytic domain bound to nicotinamide adenine dinucleotide (NAD+) and an indole (EX527 analogue) reveals a novel mechanism of histone deacetylase inhibition.
J.Med.Chem., 56, 2013
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2A1W
 | | Anti-cocaine antibody 7.5.21, crystal form I | | Descriptor: | SULFATE ION, immunoglobulin heavy chain, immunoglobulin light chain kappa | | Authors: | Pozharski, E, Hewagama, A, Shanafelt, A, Ringe, D, Petsko, G.A. | | Deposit date: | 2005-06-21 | | Release date: | 2005-06-28 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Flexibility Of Packing:
Four Crystal Forms Of An Anti-Cocaine Antibody 7.5.21
To be Published
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2XKQ
 | | Crystal structure of Streptococcus suis Dpr with manganese | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Haikarainen, T, Thanassoulas, A, Stavros, P, Nounesis, G, Haataja, S, Papageorgiou, A.C. | | Deposit date: | 2010-07-12 | | Release date: | 2010-11-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and Thermodynamic Characterization of Metal Ion Binding in Streptococcus Suis Dpr.
J.Mol.Biol., 405, 2011
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2CEJ
 | | P1' Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold | | Descriptor: | 3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE, POL PROTEIN | | Authors: | Ginman, N, Ekegren, J.K, Johansson, A, Wallberg, H, Larhed, M, Samuelsson, B, Hallberg, A, Unge, T. | | Deposit date: | 2006-02-07 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Microwave-Accelerated Synthesis of P1'-Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold
J.Med.Chem., 49, 2006
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1OWQ
 | | Crystal structure of a 40 kDa signalling protein (SPC-40) secreted during involution | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, signal processing protein | | Authors: | Kumar, J, Sharma, S, Jasti, J, Bhushan, A, Singh, T.P. | | Deposit date: | 2003-03-29 | | Release date: | 2004-05-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a 40 kDa signalling protein (SPC-40) secreted during involution
To be Published
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3CXA
 | | Crystal structure of the complex of peptidoglycan recognition protein with alpha-D-glucopyranosyl alpha-D-glucopyranoside at 3.4 A resolution | | Descriptor: | L(+)-TARTARIC ACID, Peptidoglycan recognition protein, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | | Authors: | Balaji, K, Sharma, P, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2008-04-24 | | Release date: | 2008-05-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Crystal structure of the complex of peptidoglycan recognition protein with alpha-D-glucopyranosyl alpha-D-glucopyranoside at 3.4 A resolution
To be Published
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4BKG
 | | crystal structure of human diSUMO-2 | | Descriptor: | SMALL UBIQUITIN-RELATED MODIFIER 2 | | Authors: | Keusekotten, K, Bade, V.N, Meyer-Teschendorf, K, Sriramachandran, A, Fischer-Schrader, K, Krause, A, Horst, C, Hofmann, K, Dohmen, R.J, Praefcke, G.J.K. | | Deposit date: | 2013-04-25 | | Release date: | 2013-11-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Multivalent Interactions of the Sumo-Interaction Motifs in the Ring-Finger Protein 4 (Rnf4) Determine the Specificity for Chains of the Small Ubiquitin-Related Modifier (Sumo).
Biochem.J., 457, 2014
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2A77
 | | Anti-Cocaine Antibody 7.5.21, Crystal Form II | | Descriptor: | GLYCEROL, Immunoglobulin Heavy Chain, Immunoglobulin Light Chain, ... | | Authors: | Pozharski, E, Hewagama, A, Shanafelt, A, Ringe, D, Petsko, G.A. | | Deposit date: | 2005-07-04 | | Release date: | 2005-07-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Flexibility of Packing: Four Crystal Forms of an Anti-Cocaine Antibody 7.5.21
To be Published
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1Z58
 | | Crystal structure of a complex of the ribosome large subunit with rapamycin | | Descriptor: | 23S RIBOSOMAL RNA, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | | Authors: | Amit, M, Berisio, R, Baram, D, Harms, J, Bashan, A, Yonath, A. | | Deposit date: | 2005-03-17 | | Release date: | 2005-06-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | A crevice adjoining the ribosome tunnel: Hints for cotranslational folding.
Febs Lett., 579, 2005
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2AAR
 | | Structure of trigger factor binding domain in biologically homologous complex with eubacterial ribosome. | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L23, 50S ribosomal protein L29, ... | | Authors: | Baram, D, Pyetan, E, Sittner, A, Auerbach-Nevo, T, Bashan, A, Yonath, A. | | Deposit date: | 2005-07-14 | | Release date: | 2005-08-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of trigger factor binding domain in biologically homologous complex with eubacterial ribosome reveals its chaperone action
Proc.Natl.Acad.Sci.Usa, 102, 2005
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4BNF
 | | Crystal structure of S. aureus FabI in complex with NADP and 2- phenoxy-5-propylphenol | | Descriptor: | 2-phenoxy-5-propyl-phenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-05-15 | | Release date: | 2013-06-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
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4BNM
 | | Crystal structure of S. aureus FabI in complex with NADP and 5-hexyl- 2-(2-methylphenoxy)phenol | | Descriptor: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-05-15 | | Release date: | 2013-06-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
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4BNK
 | | Crystal structure of S. aureus FabI in complex with NADP and 5-fluoro- 2-phenoxyphenol | | Descriptor: | 5-fluoro-2-phenoxyphenol, CHLORIDE ION, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], ... | | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-05-15 | | Release date: | 2013-06-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
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4BNI
 | | Crystal structure of S. aureus FabI in complex with NADP and 2-(2- aminophenoxy)-5-hexylphenol | | Descriptor: | 2-(2-azanylphenoxy)-5-hexyl-phenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-05-15 | | Release date: | 2013-06-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
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2XJM
 | | Crystal structure of Streptococcus suis Dpr with cobalt | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Haikarainen, T, Thanassoulas, A, Stavros, P, Nounesis, G, Haataja, S, Papageorgiou, A.C. | | Deposit date: | 2010-07-06 | | Release date: | 2010-11-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Thermodynamic Characterization of Metal Ion Binding in Streptococcus Suis Dpr.
J.Mol.Biol., 405, 2011
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