4L53
 
 | | Crystal Structure of (1R,4R)-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexan-1-ol bound to TAK1-TAB1 | | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, ... | | Authors: | Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M. | | Deposit date: | 2013-06-10 | | Release date: | 2013-07-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: Optimization of kinase selectivity and pharmacokinetics.
Bioorg.Med.Chem.Lett., 23, 2013
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2R9Q
 | | Crystal structure of 2'-deoxycytidine 5'-triphosphate deaminase from Agrobacterium tumefaciens | | Descriptor: | 2'-deoxycytidine 5'-triphosphate deaminase, Synthetic peptide 1, Synthetic peptide 2 | | Authors: | Zhang, R, Dong, A, Xu, X, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-09-13 | | Release date: | 2007-10-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of 2'-deoxycytidine 5'-triphosphate deaminase from Agrobacterium tumefaciens.
To be Published
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5LXC
 | | Crystal structure of DYRK2 in complex with EHT 5372 (Compound 1) | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2,4-dichlorophenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate | | Authors: | Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-20 | | Release date: | 2016-10-26 | | Last modified: | 2017-01-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases.
J. Med. Chem., 59, 2016
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7PO0
 | | Assembly intermediate of human mitochondrial ribosome small subunit without mS37 in complex with RBFA and IF3 | | Descriptor: | 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ... | | Authors: | Itoh, Y, Khawaja, A, Rorbach, J, Amunts, A. | | Deposit date: | 2021-09-08 | | Release date: | 2022-06-15 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Mechanism of mitoribosomal small subunit biogenesis and preinitiation.
Nature, 606, 2022
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7PNT
 | | Assembly intermediate of mouse mitochondrial ribosome small subunit without mS37 in complex with RbfA and Tfb1m | | Descriptor: | 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ... | | Authors: | Itoh, Y, Khawaja, A, Laptev, I, Sergiev, P, Rorbach, J, Amunts, A. | | Deposit date: | 2021-09-08 | | Release date: | 2022-06-15 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Mechanism of mitoribosomal small subunit biogenesis and preinitiation.
Nature, 606, 2022
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7PNW
 | | Mouse mitochondrial ribosome small subunit lacking m5U modification | | Descriptor: | 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ... | | Authors: | Itoh, Y, Khawaja, A, Laptev, I, Sergiev, P, Rorbach, J, Amunts, A. | | Deposit date: | 2021-09-08 | | Release date: | 2022-06-15 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Mechanism of mitoribosomal small subunit biogenesis and preinitiation.
Nature, 606, 2022
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7PNU
 | | Assembly intermediate of mouse mitochondrial ribosome small subunit without mS37 in complex with RbfA inward conformation | | Descriptor: | 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ... | | Authors: | Itoh, Y, Khawaja, A, Laptev, I, Sergiev, P, Rorbach, J, Amunts, A. | | Deposit date: | 2021-09-08 | | Release date: | 2022-06-15 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Mechanism of mitoribosomal small subunit biogenesis and preinitiation.
Nature, 606, 2022
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7PO1
 | | Initiation complex of human mitochondrial ribosome small subunit with IF3 | | Descriptor: | 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ... | | Authors: | Itoh, Y, Khawaja, A, Rorbach, J, Amunts, A. | | Deposit date: | 2021-09-08 | | Release date: | 2022-06-15 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Mechanism of mitoribosomal small subunit biogenesis and preinitiation.
Nature, 606, 2022
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7PNV
 | | Assembly intermediate of mouse mitochondrial ribosome small subunit without mS37 in complex with RbfA and Mettl15 | | Descriptor: | 12S mitochondrial rRNA, 12S rRNA N4-methylcytidine methyltransferase, 28S ribosomal protein S10, ... | | Authors: | Itoh, Y, Khawaja, A, Laptev, I, Sergiev, P, Rorbach, J, Amunts, A. | | Deposit date: | 2021-09-08 | | Release date: | 2022-06-15 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Mechanism of mitoribosomal small subunit biogenesis and preinitiation.
Nature, 606, 2022
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7PO2
 | | Initiation complex of human mitochondrial ribosome small subunit with IF2, fMet-tRNAMet and mRNA | | Descriptor: | 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ... | | Authors: | Itoh, Y, Khawaja, A, Rorbach, J, Amunts, A. | | Deposit date: | 2021-09-08 | | Release date: | 2022-06-15 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Mechanism of mitoribosomal small subunit biogenesis and preinitiation.
Nature, 606, 2022
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7PNX
 | | Assembly intermediate of human mitochondrial ribosome small subunit without mS37 in complex with RBFA and METTL15 conformation a | | Descriptor: | 12S mitochondrial rRNA, 12S rRNA N4-methylcytidine (m4C) methyltransferase, 28S ribosomal protein S10, ... | | Authors: | Itoh, Y, Khawaja, A, Rorbach, J, Amunts, A. | | Deposit date: | 2021-09-08 | | Release date: | 2022-06-15 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Mechanism of mitoribosomal small subunit biogenesis and preinitiation.
Nature, 606, 2022
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1B44
 | | CRYSTAL STRUCTURE OF THE B SUBUNIT OF HEAT-LABILE ENTEROTOXIN FROM E. COLI CARRYING A PEPTIDE WITH ANTI-HSV ACTIVITY | | Descriptor: | PROTEIN (B-POL SUBUNIT OF HEAT-LABILE ENTEROTOXIN) | | Authors: | Matkovic-Calogovic, D, Loregian, A, D'Acunto, M.R, Battistutta, R, Tossi, A, Palu, G, Zanotti, G. | | Deposit date: | 1999-01-04 | | Release date: | 1999-01-13 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of the B subunit of Escherichia coli heat-labile enterotoxin carrying peptides with anti-herpes simplex virus type 1 activity.
J.Biol.Chem., 274, 1999
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5LSD
 | | recombinant mouse Nerve Growth Factor | | Descriptor: | Beta-nerve growth factor | | Authors: | Paoletti, F, de Chiara, C, Kelly, G, Lamba, D, Cattaneo, A, Pastore, A. | | Deposit date: | 2016-08-25 | | Release date: | 2017-07-05 | | Last modified: | 2024-07-03 | | Method: | SOLUTION NMR | | Cite: | Conformational Rigidity within Plasticity Promotes Differential Target Recognition of Nerve Growth Factor.
Front Mol Biosci, 3, 2016
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2N0X
 | | Three dimensional structure of EPI-X4, a human albumin-derived peptide that regulates innate immunity through the CXCR4/CXCL12 chemotactic axis and antagonizes HIV-1 entry | | Descriptor: | Serum albumin | | Authors: | Perez-Castells, J, Canales, A, Jimenez-Barbero, J, Gimenez-Gallego, G. | | Deposit date: | 2015-03-18 | | Release date: | 2015-04-29 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Discovery and characterization of an endogenous CXCR4 antagonist.
Cell Rep, 11, 2015
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2REK
 | | Crystal structure of tetR-family transcriptional regulator | | Descriptor: | ACETATE ION, Putative tetR-family transcriptional regulator | | Authors: | Dong, A, Xu, X, Gu, J, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-09-26 | | Release date: | 2007-10-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal structure of tetR-family transcriptional regulator.
To be Published
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7PPN
 | | SHP2 catalytic domain in complex with CD28 (183-198) phosphopeptide (pTyr-191, p-Thr-195) | | Descriptor: | GLYCEROL, T-cell-specific surface glycoprotein CD28, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Sok, P, Zeke, A, Remenyi, A. | | Deposit date: | 2021-09-14 | | Release date: | 2022-09-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
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4D79
 | | Crystal structure of E. coli tRNA N6-threonylcarbamoyladenosine dehydratase, TcdA, in complex with ATP at 1.768 Angstroem resolution | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, POTASSIUM ION, ... | | Authors: | Lopez-Estepa, M, Arda, A, Savko, M, Round, A, Shepard, W, Bruix, M, Coll, M, Fernandez, F.J, Jimenez-Barbero, J, Vega, M.C. | | Deposit date: | 2014-11-21 | | Release date: | 2015-05-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.768 Å) | | Cite: | The Crystal Structure and Small-Angle X-Ray Analysis of Csdl/Tcda Reveal a New tRNA Binding Motif in the Moeb/E1 Superfamily.
Plos One, 10, 2015
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1NQK
 | | Structural Genomics, Crystal structure of Alkanesulfonate monooxygenase | | Descriptor: | Alkanesulfonate monooxygenase | | Authors: | Zhang, R, Skarina, T, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2003-01-21 | | Release date: | 2003-09-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of the protein
Alkanesulfonate monooxygenase from E. Coli
To be Published
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7PPM
 | | SHP2 catalytic domain in complex with IRS1 (889-901) phosphopeptide (pSer-892, pTyr-896) | | Descriptor: | GLYCEROL, Insulin receptor substrate 1, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Sok, P, Zeke, A, Remenyi, A. | | Deposit date: | 2021-09-14 | | Release date: | 2022-09-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
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4D7A
 | | Crystal structure of E. coli tRNA N6-threonylcarbamoyladenosine dehydratase, TcdA, in complex with AMP at 1.801 Angstroem resolution | | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Lopez-Estepa, M, Arda, A, Savko, M, Round, A, Shepard, W, Bruix, M, Coll, M, Fernandez, F.J, Jimenez-Barbero, J, Vega, M.C. | | Deposit date: | 2014-11-21 | | Release date: | 2015-05-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | The Crystal Structure and Small-Angle X-Ray Analysis of Csdl/Tcda Reveal a New tRNA Binding Motif in the Moeb/E1 Superfamily.
Plos One, 10, 2015
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4LZ1
 | | X-ray structure of the complex between human thrombin and the TBA deletion mutant lacking thymine 12 nucleobase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, ... | | Authors: | Pica, A, Russo Krauss, I, Merlino, A, Sica, F. | | Deposit date: | 2013-07-31 | | Release date: | 2014-01-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Dissecting the contribution of thrombin exosite I in the recognition of thrombin binding aptamer.
Febs J., 280, 2013
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6X6G
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with droperidol | | Descriptor: | 3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2,3,4,5-tetrahydropyridin-4-yl]-1~{H}-benzimidazol-2-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-05-28 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance
Rsc Med Chem, 12, 2021
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6X6I
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT543 | | Descriptor: | 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-05-28 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance
Rsc Med Chem, 12, 2021
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6X6Y
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1264 | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-05-29 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance
Rsc Med Chem, 12, 2021
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6X7A
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT572 | | Descriptor: | 4-(4-cyclohexyl-3,4-dihydro-2~{H}-pyridin-1-yl)-1-(4-$l^{2}-fluoranylcyclohexa-1,3,5-trien-1-yl)butan-1-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-05-29 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance
Rsc Med Chem, 12, 2021
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