6T77
 
 | | Crystal structure of Klebsiella pneumoniae FabG(NADPH-dependent) NADP-complex at 1.75 A resolution | | Descriptor: | 3-oxoacyl-ACP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Vella, P, Schnell, R, Lindqvist, Y, Schneider, G. | | Deposit date: | 2019-10-21 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
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7DFQ
 | | Crystal Structure of a novel 4-O-alpha-L-rhamnosyl-beta-D-glucuronidase from Fusarium oxysporum 12S, ligand-free form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-alpha-L-rhamnosyl-beta-D-glucuronidase | | Authors: | Kondo, T, Arakawa, T, Fushinobu, S, Sakamoto, T. | | Deposit date: | 2020-11-09 | | Release date: | 2021-03-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Biochemical and structural characterization of a novel 4-O-alpha-l-rhamnosyl-beta-d-glucuronidase from Fusarium oxysporum.
Febs J., 288, 2021
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6T6N
 | | Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) in complex with NADH at 2.5 A resolution | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-oxoacyl-[acyl-carrier protein] reductase, D-MALATE, ... | | Authors: | Vella, P, Schnell, R, Lindqvist, Y, Schneider, G. | | Deposit date: | 2019-10-18 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
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7EZC
 | | Adenosine A2a receptor mutant-I92N | | Descriptor: | 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, Adenosine receptor A2a,Soluble cytochrome b562 | | Authors: | Cui, M, Zhou, Q, Yao, D, Zhao, S, Song, G. | | Deposit date: | 2021-06-01 | | Release date: | 2022-04-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Crystal structure of a constitutive active mutant of adenosine A 2A receptor.
Iucrj, 9, 2022
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8TXS
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3DV2
 | | Crystal Structure of nicotinic acid mononucleotide adenylyltransferase from Bacillus anthracis | | Descriptor: | Nicotinate (Nicotinamide) nucleotide adenylyltransferase, SULFATE ION | | Authors: | Lu, S, Smith, C.D, Yang, Z, Pruett, P.S, Nagy, L, McCombs, D.P, DeLucas, L.J, Brouillette, W.J, Brouillette, C.G. | | Deposit date: | 2008-07-18 | | Release date: | 2008-11-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of nicotinic acid mononucleotide adenylyltransferase from Bacillus anthracis.
ACTA CRYSTALLOGR.,SECT.F, 64, 2008
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6TYR
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7D1D
 | | Crystal structure of Bacteroides thetaiotaomicron glutaminyl cyclase bound to 1-benzylimidazole | | Descriptor: | 1-BENZYL-1H-IMIDAZOLE, Glutamine cyclotransferase, ZINC ION | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-14 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D2B
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with a Ni ion bound to the active site | | Descriptor: | Glutaminyl-peptide cyclotransferase, NICKEL (II) ION | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D2I
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with a Fe ion bound to the active site | | Descriptor: | FE (III) ION, Glutaminyl-peptide cyclotransferase, SULFATE ION | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D23
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with one K ion bound to the active site | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutaminyl-peptide cyclotransferase, POTASSIUM ION | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-15 | | Release date: | 2021-04-14 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D17
 | | Crystal structure of Macrostomum lignano glutaminyl cyclase | | Descriptor: | Glutaminyl-peptide cyclotransferase, ZINC ION | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-14 | | Release date: | 2021-04-14 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.998 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D1N
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with three Cu ions bound to the active site | | Descriptor: | BICARBONATE ION, COPPER (II) ION, Glutaminyl-peptide cyclotransferase | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-15 | | Release date: | 2021-04-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D1Y
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with two Co ions bound to the active site | | Descriptor: | COBALT (II) ION, Glutaminyl-peptide cyclotransferase | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-15 | | Release date: | 2021-04-14 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D1P
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with three Cd ions bound to the active site | | Descriptor: | BICARBONATE ION, CADMIUM ION, Glutaminyl-peptide cyclotransferase | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-15 | | Release date: | 2021-04-14 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D21
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with two Zn ions bound to the active site | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Glutaminyl-peptide cyclotransferase, ZINC ION | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-15 | | Release date: | 2021-04-14 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D2J
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with a Cd ion bound to the active site | | Descriptor: | BICARBONATE ION, CADMIUM ION, Glutaminyl-peptide cyclotransferase | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D1E
 | | Crystal structure of Bacteroides thetaiotaomicron glutaminyl cyclase bound to N-acetylhistamine | | Descriptor: | Leucine aminopeptidase, N-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDE, ZINC ION | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-14 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D1H
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with D238A mutation | | Descriptor: | Glutaminyl-peptide cyclotransferase, ZINC ION | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-14 | | Release date: | 2021-04-14 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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7D2D
 | | Crystal structure of Ixodes scapularis glutaminyl cyclase with a Mn ion bound to the active site | | Descriptor: | Glutaminyl-peptide cyclotransferase, MANGANESE (II) ION | | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | | Deposit date: | 2020-09-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
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5J1D
 | | X-ray crystal structure of Phosphate binding protein (PBP) from Stenotrophomonas maltophilia | | Descriptor: | GLYCEROL, PHOSPHATE ION, Phosphate binding protein | | Authors: | Hatti, K, Gulati, A, Narayanswamy, S, Murthy, M.R.N. | | Deposit date: | 2016-03-29 | | Release date: | 2016-10-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Determination of crystal structures of proteins of unknown identity using a marathon molecular replacement procedure: structure of Stenotrophomonas maltophilia phosphate-binding protein.
Acta Crystallogr D Struct Biol, 72, 2016
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4Y3E
 | | Endothiapepsin in complex with fragment 5 | | Descriptor: | 1H-isoindol-3-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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9GM4
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6U60
 | | Crystal structure of prephenate dehydrogenase tyrA from Bacillus anthracis in complex with NAD and L-tyrosine | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION, Prephenate dehydrogenase, ... | | Authors: | Shabalin, I.G, Hou, J, Kutner, J, Grimshaw, S, Christendat, D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-08-28 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
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6T6P
 | | Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) at 1.57 A resolution | | Descriptor: | 3-oxoacyl-[acyl-carrier protein] reductase, GLYCEROL, PHOSPHATE ION | | Authors: | Vella, P, Schnell, R, Lindqvist, Y, Schneider, G. | | Deposit date: | 2019-10-18 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
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