4U46
 
 | | Crystal structure of an avidin mutant | | Descriptor: | Avidin, CHLORIDE ION | | Authors: | Agrawal, N, Lehtonen, S, Kahkonen, N, Riihimaki, T, Hytonen, V.P, Kulomaa, M.S, Johnson, M.S, Airenne, T.T. | | Deposit date: | 2014-07-23 | | Release date: | 2015-08-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Artificial Avidin-Based Receptors for a Panel of Small Molecules.
Acs Chem.Biol., 11, 2016
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7NLP
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with L-canavanine | | Descriptor: | Acetylglutamate kinase, L-CANAVANINE, SULFATE ION | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.213 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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4U4B
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7NLX
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 7-(trifluoromethyl)quinolin-4-ol. | | Descriptor: | 7-(trifluoromethyl)quinolin-4-ol, Acetylglutamate kinase, SULFATE ION | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.234 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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4U4C
 | | The molecular architecture of the TRAMP complex reveals the organization and interplay of its two catalytic activities | | Descriptor: | 1,2-ETHANEDIOL, ATP-dependent RNA helicase DOB1, CHLORIDE ION, ... | | Authors: | Falk, S, Weir, J.R, Hentschel, J, Reichelt, P, Bonneau, F, Conti, E. | | Deposit date: | 2014-07-23 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Molecular Architecture of the TRAMP Complex Reveals the Organization and Interplay of Its Two Catalytic Activities.
Mol.Cell, 55, 2014
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7N7K
 | | Crystal Structure of PI5P4KIIAlpha complex with AMPPNP | | Descriptor: | MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, ... | | Authors: | Chen, S, Ha, Y. | | Deposit date: | 2021-06-10 | | Release date: | 2021-06-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7NLW
 | | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-(5-methoxy-1H-indol-3-yl)acetonitrile | | Descriptor: | 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile, Acetylglutamate kinase, SULFATE ION | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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4U68
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7N7L
 | | Crystal Structure of PI5P4KIIAlpha complex with BI-D1870 | | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION | | Authors: | Chen, S, Ha, Y. | | Deposit date: | 2021-06-10 | | Release date: | 2021-06-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7NLF
 | | Crystal structure of Mycobacterium tuberculosis ArgB in apo form. | | Descriptor: | 1,2-ETHANEDIOL, Acetylglutamate kinase, SULFATE ION | | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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4U5J
 | | C-Src in complex with Ruxolitinib | | Descriptor: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Chen, Y, Duan, Y, Chen, L. | | Deposit date: | 2014-07-25 | | Release date: | 2014-09-17 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | c-Src Binds to the Cancer Drug Ruxolitinib with an Active Conformation
Plos One, 9, 2014
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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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7MYU
 | | BACE-1 in complex with compound #22 | | Descriptor: | Beta-secretase 1, N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide, SULFATE ION | | Authors: | Hendle, J, Timm, D.E, Stout, S.L. | | Deposit date: | 2021-05-21 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
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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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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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7MYI
 | | BACE-1 in complex with compound #6 | | Descriptor: | (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL | | Authors: | Hendle, J, Timm, D.E, Stout, S.L. | | Deposit date: | 2021-05-21 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
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4U6Z
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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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7NPE
 | | Vibrio cholerae ParA2-ADP | | Descriptor: | AAA family ATPase, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Parker, A.V, Bergeron, J.R.C. | | Deposit date: | 2021-02-26 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The cryo-EM structure of the bacterial type I segregation filament reveals ParA s conformational plasticity upon DNA binding
To Be Published
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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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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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4U9C
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7N1A
 | | SARS-CoV-2 YLQ peptide binds to HLA-A2 | | Descriptor: | Beta-2-microglobulin, MHC class I antigen, A-2 alpha chain, ... | | Authors: | Wu, D, Mariuzza, R.A. | | Deposit date: | 2021-05-27 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.065 Å) | | Cite: | Structural assessment of HLA-A2-restricted SARS-CoV-2 spike epitopes recognized by public and private T-cell receptors.
Nat Commun, 13, 2022
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4U9Z
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4UAA
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