9GP1
 
 | | Jumonji domain-containing protein 2A with crystallization epitope mutatios K330R:A334E | | Descriptor: | Lysine-specific demethylase 4A, NICKEL (II) ION, ZINC ION | | Authors: | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-09-06 | | Release date: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To be published
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9GOA
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9GO9
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9GNY
 | | SARS-CoV-2 methyltransferase nsp10-16 in complex with SAM and Caffeine | | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A. | | Deposit date: | 2024-09-04 | | Release date: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of SARS-CoV-2 methyltransferase nsp10-16 with Cap0-site binders
to be published
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9GNM
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9GNL
 | | X-ray crystal structure of VvPYL1-ABA | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYR1 | | Authors: | Rivera-Moreno, M, Benavente, J.L, Infantes, L, Albert, A. | | Deposit date: | 2024-09-03 | | Release date: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Regulation of transpiration in grapevine through chemical activation of ABA signaling by ABA receptor agonists
To Be Published
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9GN7
 | | Crystal Structure of Deacetylase (HdaH) from Klebsiella pneumoniae subsp. ozaenae in Complex with the inhibitor TSA | | Descriptor: | Deacetylase, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Qin, C, Graf, L.G, Schulze, S, Palm, G.J, Lammers, M. | | Deposit date: | 2024-08-30 | | Release date: | 2024-11-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Distribution and diversity of classical deacylases in bacteria.
Nat Commun, 15, 2024
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9GN6
 | | Crystal Structure of Deacetylase (HdaH) from Klebsiella pneumoniae subsp. ozaenae in complex with the inhibitor SAHA | | Descriptor: | Deacetylase, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, POTASSIUM ION, ... | | Authors: | Qin, C, Graf, L.G, Schulze, S, Palm, G.J, Lammers, M. | | Deposit date: | 2024-08-30 | | Release date: | 2024-11-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Distribution and diversity of classical deacylases in bacteria.
Nat Commun, 15, 2024
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9GN1
 | | Crystal structure of inactive Deacetylase (HdaH) H144A from Klebsiella pneumoniae subsp. ozaenae | | Descriptor: | ACETATE ION, Deacetylase, IMIDAZOLE, ... | | Authors: | Qin, Q, Graf, L.G, Schulze, S, Palm, G.J, Lammers, M. | | Deposit date: | 2024-08-30 | | Release date: | 2024-11-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Distribution and diversity of classical deacylases in bacteria.
Nat Commun, 15, 2024
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9GMO
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9GLE
 | | Jumonji domain-containing protein 2A with crystallization epitope mutations A91T:T93S | | Descriptor: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | Authors: | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-08-27 | | Release date: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To be published
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9GLB
 | | Crystal Structure of Deacetylase (HdaH) from Klebsiella pneumoniae subsp. ozaenae | | Descriptor: | ACETATE ION, Deacetylase, GLYCEROL, ... | | Authors: | Qin, C, Graf, L.G, Schulze, S, Palm, G.J, Lammers, M. | | Deposit date: | 2024-08-27 | | Release date: | 2024-11-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Distribution and diversity of classical deacylases in bacteria.
Nat Commun, 15, 2024
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9GL1
 | | Crystal Structure of Acetylpolyamine aminohydrolase (ApaH) from Legionella cherrii | | Descriptor: | Acetylpolyamine aminohydrolase, POTASSIUM ION, ZINC ION | | Authors: | Graf, L.G, Schulze, S, Palm, G.J, Lammers, M. | | Deposit date: | 2024-08-26 | | Release date: | 2024-11-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Distribution and diversity of classical deacylases in bacteria.
Nat Commun, 15, 2024
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9GL0
 | | Crystal Structure of Acetylpolyamine aminohydrolase (ApaH) from Legionella pneumophila | | Descriptor: | Acetylpolyamine aminohydrolase, POTASSIUM ION, ZINC ION | | Authors: | Graf, L.G, Schulze, S, Palm, G.J, Lammers, M. | | Deposit date: | 2024-08-26 | | Release date: | 2024-11-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Distribution and diversity of classical deacylases in bacteria.
Nat Commun, 15, 2024
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9GKZ
 | | Crystal Structure of Acetylpolyamine amidohydrolase (ApaH) from Pseudomonas sp. M30-35 | | Descriptor: | ACETATE ION, Acetylpolyamine amidohydrolase, CHLORIDE ION, ... | | Authors: | Graf, L.G, Schulze, S, Palm, G.J, Lammers, M. | | Deposit date: | 2024-08-26 | | Release date: | 2024-11-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Distribution and diversity of classical deacylases in bacteria.
Nat Commun, 15, 2024
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9GKY
 | | Crystal Structure of Histone deacetylase (HdaH) from Vibrio cholerae in complex with decanoic acid | | Descriptor: | DECANOIC ACID, Histone deacetylase, IMIDAZOLE, ... | | Authors: | Graf, L.G, Schulze, S, Palm, G.J, Lammers, M. | | Deposit date: | 2024-08-26 | | Release date: | 2024-11-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Distribution and diversity of classical deacylases in bacteria.
Nat Commun, 15, 2024
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9GKX
 | | Crystal Structure of Rhizorhabdus wittichii Dimethoate hydrolase (DmhA) in complex with SAHA | | Descriptor: | Dimethoate hydrolase, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, OCTANOIC ACID (CAPRYLIC ACID), ... | | Authors: | Graf, L.G, Lammers, M, Schulze, S, Palm, G.J. | | Deposit date: | 2024-08-26 | | Release date: | 2024-11-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Distribution and diversity of classical deacylases in bacteria.
Nat Commun, 15, 2024
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9GKW
 | | Crystal Structure of Dimethoate hydrolase (DmhA) of Rhizorhabdus wittichii in complex with octanoic acid | | Descriptor: | Dimethoate hydrolase, OCTANOIC ACID (CAPRYLIC ACID), PENTAETHYLENE GLYCOL, ... | | Authors: | Graf, L.G, Schulze, S, Palm, G.J, Lammers, M. | | Deposit date: | 2024-08-26 | | Release date: | 2024-11-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Distribution and diversity of classical deacylases in bacteria.
Nat Commun, 15, 2024
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9GKV
 | | Crystal Structure of Deacetylase (HdaH) from Vibrio cholerae in complex with SAHA | | Descriptor: | ACETATE ION, Histone deacetylase, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ... | | Authors: | Graf, L.G, Schulze, S, Lammers, M, Palm, G.J. | | Deposit date: | 2024-08-26 | | Release date: | 2024-11-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Distribution and diversity of classical deacylases in bacteria.
Nat Commun, 15, 2024
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9GKU
 | | Crystal Structure of Propanil hydrolase (PrpH) from Sphingomonas sp. Y57 | | Descriptor: | ACETATE ION, POTASSIUM ION, Propanil hydrolase, ... | | Authors: | Graf, L.G, Lammers, L, Palm, G.J, Schulze, S. | | Deposit date: | 2024-08-26 | | Release date: | 2024-11-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Distribution and diversity of classical deacylases in bacteria.
Nat Commun, 15, 2024
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9GK2
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9GJ2
 | | Crystal structure of human cathepsin S produced in insect cells in complex with ketoamide 13b | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Cathepsin S, ... | | Authors: | Falke, S, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Reinke, P.Y.A, Guenther, S, Turk, D, Meents, A. | | Deposit date: | 2024-08-20 | | Release date: | 2024-09-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Crystal structure of human cathepsin S produced in insect cells in complex with ketoamide 13b
To Be Published
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9GIL
 | | Crystal structure of SARS-CoV-2 Mpro with compound 12 | | Descriptor: | (7~{R},11~{R},19~{E})-11-[(4-chlorophenyl)methyl]-13-oxa-3,10,23-triazatricyclo[19.3.1.0^{3,7}]pentacosa-1(24),19,21(25),22-tetraene-2,9,12-trione, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | | Authors: | Schmitt, A, Preuss, F, Prasad, A, Maskos, K, Wang, X, Gotchev, D, Konz Makino, D.L. | | Deposit date: | 2024-08-19 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.849 Å) | | Cite: | Rational Design of Macrocyclic Noncovalent Inhibitors of SARS-CoV-2 M pro from a DNA-Encoded Chemical Library Screening Hit That Demonstrate Potent Inhibition against Pan-Coronavirus Homologues and Nirmatrelvir-Resistant Variants.
J.Med.Chem., 2024
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9GIJ
 | | Crystal structure of SARS-CoV-2 Mpro with compound 5 | | Descriptor: | (2~{R})-3-(4-chlorophenyl)-2-[2-[(2~{R})-1-isoquinolin-4-ylcarbonylpyrrolidin-2-yl]ethanoyl-methyl-amino]-~{N}-methyl-propanamide, 3C-like proteinase nsp5 | | Authors: | Prasad, A, Schmitt, A, Preuss, F, Maskos, K, Wang, X, Gotchev, D, Konz Makino, D.L. | | Deposit date: | 2024-08-19 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.476 Å) | | Cite: | Rational Design of Macrocyclic Noncovalent Inhibitors of SARS-CoV-2 M pro from a DNA-Encoded Chemical Library Screening Hit That Demonstrate Potent Inhibition against Pan-Coronavirus Homologues and Nirmatrelvir-Resistant Variants.
J.Med.Chem., 2024
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9GII
 | | Jumonji domain-containing protein 2A with crystallization epitope mutation R913A | | Descriptor: | GLYCEROL, Lysine-specific demethylase 4A, SULFATE ION | | Authors: | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-08-19 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To be published
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