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5AGS
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BU of 5ags by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct 3-(Aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
Descriptor: 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE, LEUCYL-TRNA SYNTHETASE, METHIONINE
Authors:Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
Deposit date:2015-02-03
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5GQT
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BU of 5gqt by Molmil
Crystal structure of a specifier Protein from Arabidopsis thaliana
Descriptor: Nitrile-specifier protein 1
Authors:Zhang, W, Feng, Y.
Deposit date:2016-08-08
Release date:2017-06-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.022 Å)
Cite:Crystal structure of the nitrile-specifier protein NSP1 from Arabidopsis thaliana
Biochem. Biophys. Res. Commun., 488, 2017
6W4Q
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BU of 6w4q by Molmil
Crystal structure of full-length tailspike protein 2 (TSP2, ORF211) ) from Escherichia coli O157:H7 bacteriophage CAB120
Descriptor: 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ...
Authors:Greenfield, J, Herzberg, O.
Deposit date:2020-03-11
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and function of bacteriophage CBA120 ORF211 (TSP2), the determinant of phage specificity towards E. coli O157:H7.
Sci Rep, 10, 2020
2DI3
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BU of 2di3 by Molmil
Crystal structure of the transcriptional factor CGL2915 from Corynebacterium glutamicum
Descriptor: Bacterial regulatory proteins, GntR family, ZINC ION
Authors:Gao, Y.G, Yao, M, Tanaka, I.
Deposit date:2006-03-28
Release date:2007-03-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and functional characterization of the LldR from Corynebacterium glutamicum: a transcriptional repressor involved in L-lactate and sugar utilization
Nucleic Acids Res., 36, 2008
3LQQ
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BU of 3lqq by Molmil
Structure of the CED-4 Apoptosome
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell death protein 4, MAGNESIUM ION
Authors:Qi, S, Pang, Y, Shi, Y, Yan, N, Liu, Q.
Deposit date:2010-02-09
Release date:2010-04-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.534 Å)
Cite:Crystal structure of the Caenorhabditis elegans apoptosome reveals an octameric assembly of CED-4.
Cell(Cambridge,Mass.), 141, 2010
8WPG
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BU of 8wpg by Molmil
Human calcium-sensing receptor bound with cinacalcet in detergent
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Ling, S.L, Meng, X.Y, Tian, C.L.
Deposit date:2023-10-10
Release date:2023-11-22
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex.
Cell Res., 34, 2024
8WPU
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BU of 8wpu by Molmil
Human calcium-sensing receptor(CaSR) bound to cinacalcet in complex with Gq protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Ling, S.L, Meng, X.Y, Tian, C.L.
Deposit date:2023-10-10
Release date:2023-11-22
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex.
Cell Res., 34, 2024
4WRS
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BU of 4wrs by Molmil
Crystal structure of human Pim-1 kinase in complex with an azaspiro pyrazinyl-indazole inhibitor.
Descriptor: 3-{6-[(4R)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1H-indazole, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2014-10-25
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
3LQR
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BU of 3lqr by Molmil
Structure of CED-4:CED-3 complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell death protein 4, MAGNESIUM ION
Authors:Qi, S, Pang, Y, Shi, Y, Yan, N.
Deposit date:2010-02-09
Release date:2010-04-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.896 Å)
Cite:Crystal structure of the Caenorhabditis elegans apoptosome reveals an octameric assembly of CED-4.
Cell(Cambridge,Mass.), 141, 2010
6VC9
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BU of 6vc9 by Molmil
TB19 complex
Descriptor: 1,2-ETHANEDIOL, 5'-nucleotidase, ecto (CD73), ...
Authors:Zhou, Y.F, Lord, D.M.
Deposit date:2019-12-20
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A highly potent CD73 biparatopic antibody blocks organization of the enzyme active site through dual mechanisms.
J.Biol.Chem., 295, 2020
6VCA
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BU of 6vca by Molmil
TB38 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, ...
Authors:Zhou, Y.F, Lord, D.M.
Deposit date:2019-12-20
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.73 Å)
Cite:A highly potent CD73 biparatopic antibody blocks organization of the enzyme active site through dual mechanisms.
J.Biol.Chem., 295, 2020
4YES
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BU of 4yes by Molmil
Thrombin in complex with (S)-(4-chloro-2-((1-(5-methyl-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxamido)methyl)phenyl)methanaminium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin, ...
Authors:Orth, P.
Deposit date:2015-02-24
Release date:2015-06-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Improved Stability of Proline-Derived Direct Thrombin Inhibitors through Hydroxyl to Heterocycle Replacement.
Acs Med.Chem.Lett., 6, 2015
5GZE
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BU of 5gze by Molmil
Galectin-8 N-terminal domain carbohydrate recognition domain
Descriptor: Galectin-8, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y, Si, Y.L.
Deposit date:2016-09-28
Release date:2016-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker.
Int J Mol Sci, 17, 2016
5GZG
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BU of 5gzg by Molmil
Galectin-8 N-terminal domain carbohydrate recognition domain
Descriptor: Galectin-8, NICKEL (II) ION, SODIUM ION, ...
Authors:Su, J.Y, Si, Y.L.
Deposit date:2016-09-28
Release date:2016-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker.
Int J Mol Sci, 17, 2016
5GZC
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BU of 5gzc by Molmil
Crystal structure of Galectin-8 N-CRD with part of linker
Descriptor: GLYCEROL, Galectin-8, SODIUM ION
Authors:Su, J.Y, Si, Y.L.
Deposit date:2016-09-28
Release date:2016-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker.
Int J Mol Sci, 17, 2016
5GZD
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BU of 5gzd by Molmil
Galectin-8 N-terminal domain carbohydrate recognition domain
Descriptor: Galectin-8, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y, Si, Y.L.
Deposit date:2016-09-28
Release date:2016-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker.
Int J Mol Sci, 17, 2016
5GZF
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BU of 5gzf by Molmil
Galectin-8 N-terminal domain carbohydrate recognition domain
Descriptor: Galectin-8, NICKEL (II) ION, SODIUM ION, ...
Authors:Su, J.Y, Si, Y.L.
Deposit date:2016-09-28
Release date:2016-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker.
Int J Mol Sci, 17, 2016
7DEU
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BU of 7deu by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
Authors:Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y.
Deposit date:2020-11-05
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7DEO
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BU of 7deo by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ...
Authors:Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y.
Deposit date:2020-11-04
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7DET
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BU of 7det by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
Authors:Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y.
Deposit date:2020-11-05
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
5JIE
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BU of 5jie by Molmil
Crystal structure of the Orsay virus delta protein N-terminal fragment (aa 1~66)
Descriptor: Protein delta
Authors:Fan, Y, Guo, Y, Zhong, W, Tao, Y.J.
Deposit date:2016-04-22
Release date:2017-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1374 Å)
Cite:Structure of a pentameric virion-associated fiber with a potential role in Orsay virus entry to host cells.
PLoS Pathog., 13, 2017
2JXW
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BU of 2jxw by Molmil
Solution Structure of the Tandem WW Domains of FBP21
Descriptor: WW domain-binding protein 4
Authors:Huang, X, Zhang, J, Wu, J, Shi, Y.
Deposit date:2007-11-30
Release date:2008-12-02
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure and function of the two tandem WW domains of the pre-mRNA splicing factor FBP21 (formin-binding protein 21)
J.Biol.Chem., 284, 2009
7LUB
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BU of 7lub by Molmil
Crystal structure of recombinant human fumarase in complex with D-2-amino-3-phosphono-propionic acid
Descriptor: D-2-AMINO-3-PHOSPHONO-PROPIONIC ACID, Fumarate hydratase, mitochondrial, ...
Authors:Cardoso, I.A, Nonato, M.C.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
7MBH
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BU of 7mbh by Molmil
Structure of Human Enolase 2 in complex with phosphoserine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Gamma-enolase, ...
Authors:Leonard, P.G, Hicks, K.G, Rutter, J.
Deposit date:2021-03-31
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
7MSB
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BU of 7msb by Molmil
Structure of EED bound to EEDi-4259
Descriptor: (9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, Polycomb protein EED
Authors:Petrunak, E, Stuckey, J.
Deposit date:2021-05-11
Release date:2021-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression.
J.Med.Chem., 64, 2021

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