4U5Q
 
 | | High resolution crystal structure of reductase (R) domain of nonribosomal peptide synthetase from Mycobacterium tuberculosis | | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Peptide synthetase | | Authors: | Patel, K.D, Haque, A.S, Priyadarshan, K, Sankaranarayanan, R. | | Deposit date: | 2014-07-25 | | Release date: | 2016-01-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.811 Å) | | Cite: | High resolution structure of R-domain of nonribosomal peptide synthetase from Mycobacterium tuberculosis
To Be Published
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4U4N
 | | Crystal structure of Edeine bound to the yeast 80S ribosome | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | Authors: | Garreau de Loubresse, N, Prokhorova, I, Yusupova, G, Yusupov, M. | | Deposit date: | 2014-07-24 | | Release date: | 2014-10-22 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis for the inhibition of the eukaryotic ribosome.
Nature, 513, 2014
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4U5V
 | | IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR | | Descriptor: | Importin subunit alpha-1, N~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-L-lysinamide | | Authors: | Stewart, M, Valkov, E, Holvey, R.S. | | Deposit date: | 2014-07-25 | | Release date: | 2015-05-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.968 Å) | | Cite: | Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design.
Chemmedchem, 10, 2015
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4U5Y
 | | Crystal Structure of the complex between the GNAT domain of S. lividans PAT and the acetyl-CoA synthetase C-terminal domain of S. enterica | | Descriptor: | Acetyl-coenzyme A synthetase, Acyl-CoA synthetase, SULFATE ION | | Authors: | Taylor, K.C, Tucker, A.C, Rank, K.C, Escalante-Semerena, J.C, Rayment, I. | | Deposit date: | 2014-07-25 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.926 Å) | | Cite: | Insights into the specificity of lysine acetyltransferases.
J.Biol.Chem., 289, 2014
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4U68
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4U6A
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4U6E
 | | HsMetAP in complex with (amino(phenyl)methyl)phosphonic acid | | Descriptor: | COBALT (II) ION, Methionine aminopeptidase 1, [(R)-amino(phenyl)methyl]phosphonic acid | | Authors: | Arya, T, Addlagatta, A. | | Deposit date: | 2014-07-28 | | Release date: | 2015-03-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
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4U6H
 | | Vaccinia L1/M12B9-Fab complex | | Descriptor: | Heavy chain of murine anti-vaccinia L1 IgG2a antibody M12B9, Light chain of murine anti-vaccinia L1 IgG2a antibody M12B9, Protein L1 | | Authors: | Matho, M.H, Schlossman, A, Zajonc, D.M. | | Deposit date: | 2014-07-29 | | Release date: | 2014-08-06 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Potent neutralization of vaccinia virus by divergent murine antibodies targeting a common site of vulnerability in l1 protein.
J.Virol., 88, 2014
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4U62
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4U6G
 | | Crystal structure of 10E8 Fab in complex with a hydrocarbon-stapled HIV-1 gp41 MPER peptide | | Descriptor: | 10E8 Fab Heavy Chain, 10E8 Fab Light Chain, SAH-MPER(662-683KKK)(B,q) | | Authors: | Ofek, G, Bird, G.H, Walensky, L.D, Kwong, P.D. | | Deposit date: | 2014-07-28 | | Release date: | 2014-12-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (4.2012 Å) | | Cite: | Structural Fidelity and Neutralizing Antibody Binding Capacity of
Hydrocarbon-Stapled HIV-1 Antigens
To be published
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4U6K
 | | Crystal structure of DNA/RNA duplex containing 2'-4'-BNA-NC | | Descriptor: | COBALT HEXAMMINE(III), DNA (5'-D(*(NCU)P*(NTT)P*CP*TP*TP*CP*TP*(NTT)P*(NCU))-3'), RNA (5'-R(*GP*AP*AP*GP*AP*AP*GP*AP*G)-3') | | Authors: | Kondo, J, Nomura, Y, Kitahara, Y, Obika, S, Torigoe, H. | | Deposit date: | 2014-07-29 | | Release date: | 2015-08-19 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The crystal structure of a 2',4'-BNA(NC)[N-Me]-modified antisense gapmer in complex with the target RNA.
Chem.Commun.(Camb.), 52, 2016
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4U6M
 | | Crystal structure of DNA/RNA duplex obtained in the presence of Spermine | | Descriptor: | DNA (5'-D(*(5CM)P*TP*CP*TP*TP*CP*TP*TP*(5CM))-3'), RNA (5'-R(*GP*AP*AP*GP*AP*AP*GP*AP*G)-3') | | Authors: | Kondo, J, Nomura, Y, Kitahara, Y, Obika, S, Torigoe, H. | | Deposit date: | 2014-07-29 | | Release date: | 2015-08-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of a 2',4'-BNA(NC)[N-Me]-modified antisense gapmer in complex with the target RNA.
Chem.Commun.(Camb.), 52, 2016
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4U6R
 | | Crystal structure of human IRE1 cytoplasmic domains in complex with a sulfonamide inhibitor. | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide, ... | | Authors: | Mohr, C. | | Deposit date: | 2014-07-29 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Unfolded Protein Response in Cancer: IRE1 alpha Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability.
Acs Med.Chem.Lett., 6, 2015
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4U6Z
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4U6O
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4U6V
 | | Mechanisms of Neutralization of a Human Anti-Alpha Toxin Antibody | | Descriptor: | Alpha-hemolysin, Fab, antigen binding fragment, ... | | Authors: | Oganesyan, V.Y, Peng, L, Damschroder, M.M, Cheng, L, Sadowska, A, Tkaczyk, C, Sellman, B, Wu, H, Dall'Acqua, W.F. | | Deposit date: | 2014-07-29 | | Release date: | 2014-09-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Mechanisms of Neutralization of a Human Anti-alpha-toxin Antibody.
J.Biol.Chem., 289, 2014
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4U7G
 | | Oxidized quinone reductase 2 in complex with CK2 inhibitor TBBz | | Descriptor: | 4,5,6,7-TETRABROMO-BENZIMIDAZOLE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Leung, K.K, Shilton, B.H. | | Deposit date: | 2014-07-30 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Quinone Reductase 2 Is an Adventitious Target of Protein Kinase CK2 Inhibitors TBBz (TBI) and DMAT.
Biochemistry, 54, 2015
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4U7O
 | | Active histidine kinase bound with ATP | | Descriptor: | AMP PHOSPHORAMIDATE, Histidine protein kinase sensor protein | | Authors: | Cai, Y, Hu, X, Sang, J. | | Deposit date: | 2014-07-31 | | Release date: | 2015-09-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.395 Å) | | Cite: | Conformational dynamics of the essential sensor histidine kinase WalK.
Acta Crystallogr D Struct Biol, 73, 2017
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4U74
 | | Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (G262A mutant) | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase 1, ... | | Authors: | Sugimoto, H, Horitani, M, Kometani, E, Shiro, Y. | | Deposit date: | 2014-07-30 | | Release date: | 2015-09-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Conformation and Mobility of Active Site Loop is Critical for Substrate Binding and Inhibition in Human Indoleamine 2,3-Dioxygenase
to be published
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4U7F
 | | Reduced quinone reductase 2 in complex with CK2 inhibitor DMAT | | Descriptor: | 4,5,6,7-TETRABROMO-N,N-DIMETHYL-1H-BENZIMIDAZOL-2-AMINE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Leung, K.K, Shilton, B.H. | | Deposit date: | 2014-07-30 | | Release date: | 2015-02-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Quinone Reductase 2 Is an Adventitious Target of Protein Kinase CK2 Inhibitors TBBz (TBI) and DMAT.
Biochemistry, 54, 2015
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4U7P
 | | Crystal structure of DNMT3A-DNMT3L complex | | Descriptor: | DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Wang, L, Guo, X, Li, J, Xiao, J, Yin, X, He, S, Wang, J, Xu, Y. | | Deposit date: | 2014-07-31 | | Release date: | 2014-11-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.821 Å) | | Cite: | Structural insight into autoinhibition and histone H3-induced activation of DNMT3A
Nature, 517, 2015
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4U7Z
 | | Mitogen-Activated Protein Kinase Kinase (MEK1) bound to G805 | | Descriptor: | 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Robarge, K.D, Ultsch, M.H, Wiesmann, C. | | Deposit date: | 2014-07-31 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.805 Å) | | Cite: | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
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4U87
 | | Crystal structure of the Ba-soaked C2 crystal form of pMV158 replication initiator RepB (P3221 space group) | | Descriptor: | BARIUM ION, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Boer, D.R, Ruiz Maso, J.A, del Solar, G, Coll, M. | | Deposit date: | 2014-08-01 | | Release date: | 2015-08-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Conformational plasticity of RepB, the replication initiator protein of promiscuous streptococcal plasmid pMV158.
Sci Rep, 6, 2016
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4U8O
 | | Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant N207A complexed with UDP | | Descriptor: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | | Deposit date: | 2014-08-03 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
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4U94
 | | Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway | | Descriptor: | MAGNESIUM ION, Maltokinase | | Authors: | Fraga, J, Empadinhas, N, Pereira, P.J.B, Macedo-Ribeiro, S. | | Deposit date: | 2014-08-05 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.473 Å) | | Cite: | Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway.
Sci Rep, 5, 2015
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