8PGB
 
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2850 | | Descriptor: | 3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{S})-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-18 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2850
To Be Published
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8PT1
 | | ERK2 covelently bound to RU76 cyclohexenone based inhibitor | | Descriptor: | Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ~{O}1-methyl ~{O}3-(phenylmethyl) (1~{S},3~{R})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate | | Authors: | Sok, P, Poti, A, Remenyi, A, Gogl, G. | | Deposit date: | 2023-07-13 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
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1BPW
 | | BETAINE ALDEHYDE DEHYDROGENASE FROM COD LIVER | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (ALDEHYDE DEHYDROGENASE) | | Authors: | Johansson, K, El Ahmad, M, Ramaswamy, S, Hjelmqvist, L, Jornvall, H, Eklund, H. | | Deposit date: | 1998-08-12 | | Release date: | 1998-08-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of betaine aldehyde dehydrogenase at 2.1 A resolution.
Protein Sci., 7, 1998
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8PGQ
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3225 | | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-cyano-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-18 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3225
To Be Published
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8PRY
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8PU4
 | | FaRel2 bound to the ATP analogue, APCPP | | Descriptor: | MAGNESIUM ION, RelA/SpoT domain-containing protein, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid | | Authors: | Garcia-Pino, A, Talavera Perez, A, Dominguez Molina, L. | | Deposit date: | 2023-07-16 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | FaRel2 bound to the ATP analogue, APCPP
To Be Published
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1R7U
 | | Glycosyltransferase B in complex with 3-deoxy-acceptor analog inhibitor | | Descriptor: | Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-hexyl 3-deoxy-beta-D-galactopyranoside | | Authors: | Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V. | | Deposit date: | 2003-10-22 | | Release date: | 2004-02-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases
J.Biol.Chem., 278, 2003
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8PG9
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2817 | | Descriptor: | 7-[(1~{S})-1-[(5~{S})-5-(3-azanylpropyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-18 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2817
To Be Published
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8POB
 | | Crystal structure of Hen Egg White Lysozyme co-crystallized with 10 mM TbXo4-SO3 | | Descriptor: | 6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-(3-sulfopropyl)-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid, CHLORIDE ION, Lysozyme C, ... | | Authors: | Alsalman, Z, Girard, E. | | Deposit date: | 2023-07-04 | | Release date: | 2024-07-10 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Influence of Chemical Modifications of the Crystallophore on Protein Nucleating Properties and Supramolecular Interactions Network.
Chemistry, 30, 2024
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8PGW
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3460 | | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-methoxy-6-oxidanyl-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-18 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3460
To Be Published
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1R82
 | | Glycosyltransferase B in complex with 3-amino-acceptor analog inhibitor, and uridine diphosphate-galactose | | Descriptor: | GALACTOSE-URIDINE-5'-DIPHOSPHATE, Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MERCURY (II) ION, ... | | Authors: | Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V. | | Deposit date: | 2003-10-22 | | Release date: | 2004-02-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases
J.Biol.Chem., 278, 2003
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1BXK
 | | DTDP-GLUCOSE 4,6-DEHYDRATASE FROM E. COLI | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (DTDP-GLUCOSE 4,6-DEHYDRATASE) | | Authors: | Thoden, J.B, Hegeman, A.D, Frey, P.A, Holden, H.M. | | Deposit date: | 1998-10-05 | | Release date: | 1998-10-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular Structure of Dtdp-Glucose 4,6-Dehydratase from E. Coli
Protein Sci.
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8Q3V
 | | Cryo-EM structure of the methanogenic Na+ translocating N5-methyl-H4MPT:CoM methyltransferase complex | | Descriptor: | MAGNESIUM ION, SODIUM ION, Tetrahydromethanopterin S-methyltransferase subunit A 1, ... | | Authors: | Aziz, I, Vonck, J, Ermler, U. | | Deposit date: | 2023-08-04 | | Release date: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.08 Å) | | Cite: | Structural and mechanistic basis of the central energy-converting methyltransferase complex of methanogenesis.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8PRI
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8PRL
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8PTD
 | | The surface-exposed lipo-protein of BtuG1 in complex with cyanocobalamin. | | Descriptor: | COBALAMIN, GLYCEROL, HYDROXIDE ION, ... | | Authors: | Whittaker, J, Felices Martinez, J.M, Guskov, A, Slotboom, D.J. | | Deposit date: | 2023-07-14 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The surface-exposed lipo-protein of BtuG1 in complex with cyanocobalamin.
To Be Published
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8PT3
 | | ERK2 covelently bound to RU77 cyclohexenone based inhibitor | | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Sok, P, Poti, A, Remenyi, A. | | Deposit date: | 2023-07-13 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
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8PGG
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2954 | | Descriptor: | 3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{S})-1-(2-oxidanylidene-1~{H}-pyridin-3-yl)ethyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-18 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2954
To Be Published
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8PTS
 | | human GUK1 in complex with compound AT8001 | | Descriptor: | GLYCEROL, Guanylate kinase, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | Authors: | Zimberger, C, Canard, B, Ferron, F. | | Deposit date: | 2023-07-14 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural and functional basis for metabolic activation of the antiviral drug Bemnifosbuvir
To Be Published
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8PG2
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2728 | | Descriptor: | 7-[(1~{S})-1-[5-(3-azanylpropyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-18 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2728
To Be Published
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8PGT
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3393 | | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-oxidanylpyridin-3-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-18 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3393
To Be Published
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8PGJ
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2985 | | Descriptor: | 7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-18 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2985
To Be Published
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8PH0
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3637 | | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(2-oxidanylidene-1,3-dihydroindol-5-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-18 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3637
To Be Published
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1BUV
 | | CRYSTAL STRUCTURE OF THE MT1-MMP-TIMP-2 COMPLEX | | Descriptor: | CALCIUM ION, PROTEIN (MEMBRANE-TYPE MATRIX METALLOPROTEINASE (CDMT1-MMP)), PROTEIN (METALLOPROTEINASE INHIBITOR (TIMP-2)), ... | | Authors: | Fernandez-Catalan, C, Bode, W, Huber, R, Turk, D, Calvete, J.J, Lichte, A, Tschesche, H, Maskos, K. | | Deposit date: | 1998-09-07 | | Release date: | 1999-09-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure of the complex formed by the membrane type 1-matrix metalloproteinase with the tissue inhibitor of metalloproteinases-2, the soluble progelatinase A receptor.
EMBO J., 17, 1998
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8PH3
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3747 | | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(1-methylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-18 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3747
To Be Published
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