7FAL
 
 | | Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with T36 and L-pro | | Descriptor: | 4-[(3R)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, PROLINE, Prolyl-tRNA synthetase (ProRS) | | Authors: | Malhotra, N, Mishra, S, Yogavel, M, Sharma, A. | | Deposit date: | 2021-07-06 | | Release date: | 2022-08-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.219 Å) | | Cite: | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
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1RQH
 | | Propionibacterium shermanii transcarboxylase 5S subunit bound to pyruvic acid | | Descriptor: | COBALT (II) ION, PYRUVIC ACID, transcarboxylase 5S subunit | | Authors: | Hall, P.R, Zheng, R, Antony, L, Pusztai-Carey, M, Carey, P.R, Yee, V.C. | | Deposit date: | 2003-12-05 | | Release date: | 2004-09-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit.
Embo J., 23, 2004
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7F84
 | | Crystal structure of CRISPR-associated Cas2c of Leptospira interrogans | | Descriptor: | CRISPR-associated endoribonuclease Cas2, GLYCEROL | | Authors: | Gogoi, P, Anand, V, Prabhakaran, H.S, Kumar, M, Kanaujia, S.P. | | Deposit date: | 2021-07-01 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and functional characterization of Cas2 of CRISPR-Cas subtype I-C lacking the CRISPR component.
Front Mol Biosci, 9, 2022
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7K10
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7JYY
 | | Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA)pUpUpApApA (Cap-0) and S-Adenosylmethionine (SAM). | | Descriptor: | 2'-O-methyltransferase, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-09-01 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Mn 2+ coordinates Cap-0-RNA to align substrates for efficient 2'- O -methyl transfer by SARS-CoV-2 nsp16.
Sci.Signal., 14, 2021
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7K3B
 | | Structure of full-length influenza HA with a head-binding antibody at pH 5.2, conformation C, central helices splay | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Gui, M, Gao, J, Xiang, Y. | | Deposit date: | 2020-09-10 | | Release date: | 2020-11-11 | | Last modified: | 2020-12-09 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural intermediates in the low pH-induced transition of influenza hemagglutinin.
Plos Pathog., 16, 2020
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7FJ7
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6T5M
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7K19
 | | CryoEM structure of DNA-PK catalytic subunit complexed with DNA (Complex I) | | Descriptor: | DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*AP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit | | Authors: | Chen, X, Gellert, M, Yang, W. | | Deposit date: | 2020-09-07 | | Release date: | 2021-01-06 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
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7FJ8
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7K4X
 | | Crystal structure of Kemp Eliminase HG3.7 in complex with the transition state analog 6-nitrobenzotriazole | | Descriptor: | 6-NITROBENZOTRIAZOLE, ACETATE ION, Endo-1,4-beta-xylanase, ... | | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | | Deposit date: | 2020-09-16 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
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7FJ9
 | | KpAckA (PduW) with AMPPNP complex structure | | Descriptor: | ACETATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable propionate kinase | | Authors: | Wu, W, Zhang, Q, Bartlam, M. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | KpAckA (PduW) with AMPPNP complex structure
To Be Published
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7K37
 | | Structure of full-length influenza HA with a head-binding antibody at pH 7.8 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Gui, M, Xiang, Y, Gao, J. | | Deposit date: | 2020-09-10 | | Release date: | 2020-11-11 | | Last modified: | 2020-12-09 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural intermediates in the low pH-induced transition of influenza hemagglutinin.
Plos Pathog., 16, 2020
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1RMQ
 | | Crystal structure of AphA class B acid phosphatase/phosphotransferase with osmiate mimicking the catalytic intermediate | | Descriptor: | COBALT (II) ION, Class B acid phosphatase, OSMIUM ION | | Authors: | Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S. | | Deposit date: | 2003-11-28 | | Release date: | 2004-12-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insights in the catalytic mechanism of AphA from Escherichia coli
To be Published
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7FJB
 | | KpAckA (PduW) with AMPPNP, sodium acetate complex structure | | Descriptor: | ACETATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable propionate kinase, ... | | Authors: | Wenyue, W, Zhang, Q, Bartlam, M. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | KpAckA (PduW) with AMPPNP, sodium acetate complex structure
To Be Published
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5O9H
 | | Crystal structure of thermostabilised human C5a anaphylatoxin chemotactic receptor 1 (C5aR) in complex with NDT9513727 | | Descriptor: | 1-(1,3-benzodioxol-5-yl)-~{N}-(1,3-benzodioxol-5-ylmethyl)-~{N}-[(3-butyl-2,5-diphenyl-imidazol-4-yl)methyl]methanamine, C5a anaphylatoxin chemotactic receptor 1, CITRIC ACID, ... | | Authors: | Robertson, N, Rappas, M, Dore, A.S, Brown, J, Bottegoni, G, Koglin, M, Cansfield, J, Jazayeri, A, Cooke, R.M, Marshall, F.H. | | Deposit date: | 2017-06-19 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727.
Nature, 553, 2018
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7K4Z
 | | Crystal structure of Kemp Eliminase HG3.17 in complex with the transition state analog 6-nitrobenzotriazole | | Descriptor: | 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase, PENTAETHYLENE GLYCOL | | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | | Deposit date: | 2020-09-16 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
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7FJA
 | | KpAckA (PduW) with AMPPNP, ethylene glycol complex structure | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable propionate kinase | | Authors: | Wu, W, Zhang, Q, Bartlam, M. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | KpAckA (PduW) with AMPPNP, ethylene glycol complex structure
To Be Published
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6T99
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7EXF
 | | Crystal structure of wild-type from Arabidopsis thaliana complexed with Galactose | | Descriptor: | Probable galactinol--sucrose galactosyltransferase 6, beta-D-galactopyranose | | Authors: | Chuankhayan, P, Guan, H.H, Lin, C.C, Chen, N.C, Huang, Y.C, Yoshimura, M, Nakagawa, A, Lee, R.H, Chen, C.J. | | Deposit date: | 2021-05-27 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Structural insight into the hydrolase and synthase activities of an alkaline alpha-galactosidase from Arabidopsis from complexes with substrate/product.
Acta Crystallogr D Struct Biol, 79, 2023
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1YO4
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7EXH
 | | Crystal structure of D383A mutant from Arabidopsis thaliana complexed with Galactinol. | | Descriptor: | Probable galactinol--sucrose galactosyltransferase 6, galactinol | | Authors: | Chuankhayan, P, Guan, H.H, Lin, C.C, Chen, N.C, Huang, Y.C, Yoshimura, M, Nakagawa, A, Lee, R.H, Chen, C.J. | | Deposit date: | 2021-05-27 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Structural insight into the hydrolase and synthase activities of an alkaline alpha-galactosidase from Arabidopsis from complexes with substrate/product.
Acta Crystallogr D Struct Biol, 79, 2023
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7EXJ
 | | Crystal structure of alkaline alpha-galctosidase D383A mutant from Arabidopsis thaliana complexed with Raffinose | | Descriptor: | Probable galactinol--sucrose galactosyltransferase 6, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose-(1-2)-beta-D-fructofuranose | | Authors: | Chuankhayan, P, Guan, H.H, Lin, C.C, Chen, N.C, Huang, Y.C, Yoshimura, M, Nakagawa, A, Lee, R.H, Chen, C.J. | | Deposit date: | 2021-05-27 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structural insight into the hydrolase and synthase activities of an alkaline alpha-galactosidase from Arabidopsis from complexes with substrate/product.
Acta Crystallogr D Struct Biol, 79, 2023
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7EXR
 | | Crystal structure of alkaline alpha-galactosidase D383A mutant from Arabidopsis thaliana complexed with Stachyose. | | Descriptor: | Probable galactinol--sucrose galactosyltransferase 6, alpha-D-galactopyranose-(1-6)-alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose-(1-2)-beta-D-fructofuranose | | Authors: | Chuankhayan, P, Guan, H.H, Lin, C.C, Chen, N.C, Huang, Y.C, Yoshimura, M, Nakagawa, A, Lee, R.H, Chen, C.J. | | Deposit date: | 2021-05-28 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insight into the hydrolase and synthase activities of an alkaline alpha-galactosidase from Arabidopsis from complexes with substrate/product.
Acta Crystallogr D Struct Biol, 79, 2023
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5OAX
 | | Galectin-3c in complex with thiogalactoside derivate | | Descriptor: | 5,6-bis(fluoranyl)-3-[[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one, Galectin-3 | | Authors: | Nilsson, U.J, Peterson, K, Hakansson, M, Logan, D.T. | | Deposit date: | 2017-06-25 | | Release date: | 2018-05-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Systematic Tuning of Fluoro-galectin-3 Interactions Provides Thiodigalactoside Derivatives with Single-Digit nM Affinity and High Selectivity.
J. Med. Chem., 61, 2018
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