8HPE
 
 | | Crystal structure of Leucine dehydrogenase | | Descriptor: | GLYCEROL, Leucine dehydrogenase, SULFATE ION | | Authors: | Li, X, Song, W. | | Deposit date: | 2022-12-12 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | A Tri-Enzyme Cascade for Efficient Production of L-2-Aminobutyrate from L-Threonine.
Chembiochem, 24, 2023
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8PN6
 | | Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus | | Descriptor: | Genome polyprotein, Serine protease subunit NS2B | | Authors: | Ni, X, Fairhead, M, Balcomb, B.H, Aschenbrenner, J.C, Ferreira, L.M, Godoy, A.S, Lithgo, R.M, MacLean, E.M, Marples, P.G, Thompson, W, Tomlinson, C.W.E, Szommer, T, Wild, C, Wright, N.D, Koekemoer, L, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-06-29 | | Release date: | 2023-08-16 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus
To Be Published
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8GYD
 | | Structure of Schistosoma japonicum Glutathione S-transferase bound with the ligand complex of 16 | | Descriptor: | (2R)-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid, ETHANOL, Glutathione S-transferase class-mu 26 kDa isozyme | | Authors: | Wen, X, Jin, R, Hu, H, Zhu, J, Song, W, Lu, X. | | Deposit date: | 2022-09-22 | | Release date: | 2023-08-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery, SAR Study of GST Inhibitors from a Novel Quinazolin-4(1 H )-one Focused DNA-Encoded Library.
J.Med.Chem., 66, 2023
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8HP3
 | | Crystal structure of meso-diaminopimelate dehydrogenase from Prevotella timonensis | | Descriptor: | 1,2-ETHANEDIOL, Meso-diaminopimelate D-dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Tan, Y, Song, W. | | Deposit date: | 2022-12-11 | | Release date: | 2023-12-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | Rational Design of Meso -Diaminopimelate Dehydrogenase with Enhanced Reductive Amination Activity for Efficient Production of d- p -Hydroxyphenylglycine.
Appl.Environ.Microbiol., 89, 2023
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8HP0
 | | Crystal structure of meso-diaminopimelate dehydrogenase from Prevotella timonensis | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Meso-diaminopimelate D-dehydrogenase, SULFATE ION | | Authors: | Tan, Y, Song, W. | | Deposit date: | 2022-12-11 | | Release date: | 2023-12-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Rational Design of Meso -Diaminopimelate Dehydrogenase with Enhanced Reductive Amination Activity for Efficient Production of d- p -Hydroxyphenylglycine.
Appl.Environ.Microbiol., 89, 2023
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7VU8
 | | L7-Tir domain with bound ligand | | Descriptor: | 2',3'- cyclic AMP, Flax rust resistance protein | | Authors: | Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J. | | Deposit date: | 2021-11-01 | | Release date: | 2022-06-01 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
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4R7U
 | | Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Vibrio cholerae in complex with substrate UDP-N-acetylglucosamine and the drug fosfomycin | | Descriptor: | SODIUM ION, TETRAETHYLENE GLYCOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ... | | Authors: | Nocek, B, Maltseva, N, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-08-28 | | Release date: | 2014-09-24 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Vibrio cholerae in complex with substrate UDP-N-acetylglucosamine and the drug fosfomycin
To be Published
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7X5L
 | | Tir-dsDNA complex, the initial binding state | | Descriptor: | DNA (5'-D(*AP*TP*AP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*TP*AP*AP*TP*TP*AP*A)-3'), Flax rust resistance protein | | Authors: | Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J. | | Deposit date: | 2022-03-04 | | Release date: | 2022-06-01 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.51 Å) | | Cite: | TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
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7X5K
 | | Tir-dsDNA complex, the initial binding state | | Descriptor: | DNA (43-MER), Flax rust resistance protein | | Authors: | Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J. | | Deposit date: | 2022-03-04 | | Release date: | 2022-06-08 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
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7X5M
 | | Tir-dsDNA complex, the initial binding state | | Descriptor: | 2',3'- cyclic AMP, DNA (5'-D(P*AP*TP*TP*AP*A)-3'), DNA (5'-D(P*AP*TP*TP*TP*A)-3'), ... | | Authors: | Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J. | | Deposit date: | 2022-03-05 | | Release date: | 2022-06-01 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
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8HPI
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8HPG
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8OIO
 | | Crystal structure of the kelch domain of human KLHL12 in complex with PLEKHA4 peptide | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Kelch-like protein 12, ... | | Authors: | Dalietou, E.V, Chen, Z, Ramdass, A.E, Manning, C, Richardson, W, Aitmakhanova, K, Platt, M, Pike, A.C.W, Fedorov, O, Brennan, P, Bullock, A.N. | | Deposit date: | 2023-03-23 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Crystal structure of the kelch domain of human KLHL12 in complex with PLEKHA4 peptide
To Be Published
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8I7H
 | | Meso-Diaminopimelate dehydrogenase | | Descriptor: | 2,6-DIAMINOPIMELIC ACID, Meso-diaminopimelate D-dehydrogenase, SULFATE ION | | Authors: | Wu, T.F, Song, W. | | Deposit date: | 2023-01-31 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Analysis of the catalytic mechanism of meso-DAPDH and extension of D-aromatic amino acid substrate scope
To Be Published
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3IB3
 | | Crystal Structure of SACOL2612 - CocE/NonD family hydrolase from Staphylococcus aureus | | Descriptor: | CHLORIDE ION, CocE/NonD family hydrolase, NICKEL (II) ION, ... | | Authors: | Domagalski, M.J, Chruszcz, M, Osinski, T, Skarina, T, Onopriyenko, O, Cymborowski, M, Shumilin, I.A, Savchenko, A, Edwards, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-07-15 | | Release date: | 2009-08-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal Structure of SACOL2612 - CocE/NonD family hydrolase from Staphylococcus aureus
To be Published
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8HPC
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8HP4
 | | CtPDC complex | | Descriptor: | MAGNESIUM ION, Pyruvate decarboxylase, THIAMINE DIPHOSPHATE | | Authors: | Xu, H.H, Song, W. | | Deposit date: | 2022-12-11 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Protein engineering of pyruvate decarboxylase to remove the rate-limiting bottleneck in the cascade pathway of tyrosol synthesis
To Be Published
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8HP2
 | | CtPDC | | Descriptor: | Pyruvate decarboxylase | | Authors: | Xu, H.H, Song, W. | | Deposit date: | 2022-12-11 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Protein engineering of pyruvate decarboxylase to remove the rate-limiting bottleneck in the cascade pathway of tyrosol synthesis
To Be Published
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7O2T
 | | PqsR (MvfR) in complex with antagonist 61 | | Descriptor: | 2-[4-[(2S)-3-(6-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]phenyl]acetonitrile, LysR family transcriptional regulator | | Authors: | Emsley, J, Richardson, W. | | Deposit date: | 2021-03-31 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | PqsR (MvfR) in complex with antagonist 61
To Be Published
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7O2U
 | | PqsR (MvfR) in complex with antagonist 40 | | Descriptor: | 2-[4-[(2S)-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile, LysR family transcriptional regulator | | Authors: | Emsley, J, Richardson, W. | | Deposit date: | 2021-03-31 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | PqsR (MvfR) in complex with antagonist 40
To Be Published
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3SKS
 | | Crystal structure of a putative oligoendopeptidase F from Bacillus anthracis str. Ames | | Descriptor: | PHOSPHATE ION, Putative Oligoendopeptidase F, ZINC ION | | Authors: | Wajerowicz, W, Onopriyenko, O, Porebski, P, Domagalski, M, Chruszcz, M, Savchenko, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-06-23 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of a putative oligoendopeptidase F from Bacillus anthracis str. Ames
TO BE PUBLISHED
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8R5J
 | | Crystal structure of MERS-CoV main protease | | Descriptor: | Non-structural protein 11 | | Authors: | Balcomb, B.H, Fairhead, M, Koekemoer, L, Lithgo, R.M, Aschenbrenner, J.C, Chandran, A.V, Godoy, A.S, Lukacik, P, Marples, P.G, Mazzorana, M, Ni, X, Strain-Damerell, C, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-11-16 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Crystal structure of MERS-CoV main protease
To Be Published
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5XLR
 | | Structure of SARS-CoV spike glycoprotein | | Descriptor: | Spike glycoprotein | | Authors: | Gui, M, Song, W, Xiang, Y, Wang, X. | | Deposit date: | 2017-05-11 | | Release date: | 2017-06-07 | | Last modified: | 2019-10-09 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-electron microscopy structures of the SARS-CoV spike glycoprotein reveal a prerequisite conformational state for receptor binding.
Cell Res., 27, 2017
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6M49
 | | cryo-EM structure of Scap/Insig complex in the present of 25-hydroxyl cholesterol. | | Descriptor: | 25-HYDROXYCHOLESTEROL, Insulin-induced gene 2 protein, Sterol regulatory element-binding protein cleavage-activating protein,Sterol regulatory element-binding protein cleavage-activating protein | | Authors: | Yan, R, Cao, P, Song, W, Qian, H, Du, X, Coates, H.W, Zhao, X, Li, Y, Gao, S, Gong, X, Liu, X, Sui, J, Lei, J, Yang, H, Brown, A.J, Zhou, Q, Yan, C, Yan, N. | | Deposit date: | 2020-03-06 | | Release date: | 2021-01-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | A structure of human Scap bound to Insig-2 suggests how their interaction is regulated by sterols.
Science, 371, 2021
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2X1N
 | | Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design | | Descriptor: | 2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,4-DIEN-1-YLIDENE]-4,5-DIHYDRO[1,3]THIAZOLO[4,5-H]QUINAZOLIN-8-AMINE, ACE-LEU-ASN-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, ... | | Authors: | Kontopidis, G, Andrews, M.J, McInnes, C, Plater, A, Innes, L, Renachowski, S, Cowan, A, Fischer, P.M, McIntyre, N.A, Griffiths, G, Barnett, A.L, Slawin, A.M.Z, Jackson, W, Thomas, M, Zheleva, D.I, Wang, S, Blake, D.G, Westwood, N.J. | | Deposit date: | 2009-12-31 | | Release date: | 2010-02-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Design, Synthesis, and Evaluation of 2-Methyl- and 2-Amino-N-Aryl-4,5-Dihydrothiazolo[4,5-H]Quinazolin-8-Amines as Ring-Constrained 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Cyclin-Dependent Kinase Inhibitors.
J.Med.Chem., 53, 2010
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