1LY1
 
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9G1L
 | | Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry A12 | | Descriptor: | 1,2-ETHANEDIOL, 3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one, Fosfomycin resistance protein, ... | | Authors: | Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A. | | Deposit date: | 2024-07-10 | | Release date: | 2025-07-23 | | Last modified: | 2025-10-22 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
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9G1S
 | | Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry H01 | | Descriptor: | 1,2-ETHANEDIOL, Fosfomycin resistance protein, MANGANESE (II) ION, ... | | Authors: | Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A. | | Deposit date: | 2024-07-10 | | Release date: | 2025-07-23 | | Last modified: | 2025-10-22 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
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1M0B
 | | HIV-1 protease in complex with an ethyleneamine inhibitor | | Descriptor: | GLYCEROL, N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN | | Authors: | Petrokova, H, Hasek, J, Dohnalek, J. | | Deposit date: | 2002-06-12 | | Release date: | 2004-01-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Role of hydroxyl group and R/S configuration of isostere in binding properties of HIV-1 protease inhibitors
Eur.J.Biochem., 271, 2004
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9G1P
 | | Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry E12 | | Descriptor: | 1,2-ETHANEDIOL, 6-azanyl-3-methyl-1,3-benzoxazol-2-one, DIMETHYL SULFOXIDE, ... | | Authors: | Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A. | | Deposit date: | 2024-07-10 | | Release date: | 2025-07-23 | | Last modified: | 2025-10-22 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
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1LYF
 | | DISSECTION OF HELIX CAPPING IN T4 LYSOZYME BY STRUCTURAL AND THERMODYNAMIC ANALYSIS OF SIX AMINO ACID SUBSTITUTIONS AT THR 59 | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME | | Authors: | Bell, J.A, Becktel, W.J, Sauer, U, Baase, W.A, Matthews, B.W. | | Deposit date: | 1992-08-10 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Dissection of helix capping in T4 lysozyme by structural and thermodynamic analysis of six amino acid substitutions at Thr 59.
Biochemistry, 31, 1992
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9G1R
 | | Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry G12 | | Descriptor: | 1,2-ETHANEDIOL, Fosfomycin resistance protein, MANGANESE (II) ION, ... | | Authors: | Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A. | | Deposit date: | 2024-07-10 | | Release date: | 2025-07-23 | | Last modified: | 2025-10-22 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
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1LZ6
 | | STRUCTURAL AND FUNCTIONAL ANALYSES OF THE ARG-GLY-ASP SEQUENCE INTRODUCED INTO HUMAN LYSOZYME | | Descriptor: | CHLORIDE ION, HUMAN LYSOZYME | | Authors: | Matsushima, M, Inaka, K, Yamada, T, Sekiguchi, K, Kikuchi, M. | | Deposit date: | 1993-02-03 | | Release date: | 1993-10-31 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and functional analyses of the Arg-Gly-Asp sequence introduced into human lysozyme.
J.Biol.Chem., 268, 1993
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2P5O
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9G1B
 | | Fragment screening of FosAKP, room-temperature structure in complex with fragment F2X-entry A09 | | Descriptor: | 1,2-ETHANEDIOL, 2-sulfanylpyridine-3-carboximidamide, Fosfomycin resistance protein, ... | | Authors: | Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A. | | Deposit date: | 2024-07-10 | | Release date: | 2025-07-23 | | Last modified: | 2025-10-22 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
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1M12
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1LZK
 | | BACTERIAL HEROIN ESTERASE COMPLEX WITH TRANSITION STATE ANALOG DIMETHYLARSENIC ACID | | Descriptor: | CACODYLATE ION, HEROIN ESTERASE | | Authors: | Zhu, X, Larsen, N.A, Basran, A, Bruce, N.C, Wilson, I.A. | | Deposit date: | 2002-06-10 | | Release date: | 2003-01-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | OBSERVATION OF AN ARSENIC ADDUCT IN AN ACETYL ESTERASE CRYSTAL STRUCTURE
J.Biol.Chem., 278, 2003
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9G1M
 | | Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry B02 | | Descriptor: | 1,2,3,4-tetrahydroisoquinoline, 1,2-ETHANEDIOL, Fosfomycin resistance protein, ... | | Authors: | Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A. | | Deposit date: | 2024-07-10 | | Release date: | 2025-07-23 | | Last modified: | 2025-10-22 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
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1M07
 | | RESIDUES INVOLVED IN THE CATALYSIS AND BASE SPECIFICITY OF CYTOTOXIC RIBONUCLEASE FROM BULLFROG (RANA CATESBEIANA) | | Descriptor: | 5'-D(*AP*CP*GP*A)-3', Ribonuclease | | Authors: | Leu, Y.-J, Chern, S.-S, Wang, S.-C, Hsiao, Y.-Y, Amiraslanov, I, Liaw, Y.-C, Liao, Y.-D. | | Deposit date: | 2002-06-12 | | Release date: | 2003-01-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Residues involved in the catalysis, base specificity, and cytotoxicity of ribonuclease from Rana catesbeiana based upon mutagenesis and X-ray crystallography
J.Biol.Chem., 278, 2003
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9G1O
 | | Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry E07 | | Descriptor: | 1,2-ETHANEDIOL, 6-azanyl-3-methyl-1,3-benzoxazol-2-one, DIMETHYL SULFOXIDE, ... | | Authors: | Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A. | | Deposit date: | 2024-07-10 | | Release date: | 2025-07-23 | | Last modified: | 2025-10-22 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
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9G3G
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7S3W
 | | Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-amino-3,6-dideoxy-D-galactose | | Descriptor: | (3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate, 1,2-ETHANEDIOL, N-acetyltransferase, ... | | Authors: | Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M. | | Deposit date: | 2021-09-08 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
Protein Sci., 30, 2021
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9G3D
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1M1S
 | | Structure of WR4, a C.elegans MSP family member | | Descriptor: | WR4 | | Authors: | Karpowich, N, Smith, P, Shen, J, Hunt, J, Montelione, G, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2002-06-20 | | Release date: | 2003-07-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a C.elegans MSP family member
To be Published
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9G4H
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1M22
 | | X-ray structure of native peptide amidase from Stenotrophomonas maltophilia at 1.4 A | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, peptide amidase | | Authors: | Labahn, J, Neumann, S, Buldt, G, Kula, M.-R, Granzin, J. | | Deposit date: | 2002-06-21 | | Release date: | 2002-10-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An alternative mechanism for amidase signature enzymes
J.MOL.BIOL., 322, 2002
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7S45
 | | Crystal structure of an N-acetyltransferase, C80T mutant, from Helicobacter pullorum in the presence of Acetyl Coenzyme A and dTDP | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ACETYL COENZYME *A, ... | | Authors: | Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M. | | Deposit date: | 2021-09-08 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
Protein Sci., 30, 2021
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1M2P
 | | Crystal structure of 1,8-di-hydroxy-4-nitro-anthraquinone/CK2 kinase complex | | Descriptor: | 1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE, Casein kinase II, alpha chain | | Authors: | De Moliner, E, Moro, S, Sarno, S, Zagotto, G, Zanotti, G, Pinna, L.A, Battistutta, R. | | Deposit date: | 2002-06-25 | | Release date: | 2003-06-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibition of protein kinase CK2 by anthraquinone-related compounds. A
structural insight
J.Biol.Chem., 278, 2003
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7RZC
 | | Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor | | Descriptor: | (1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-08-27 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor
To be Published
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9GF0
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