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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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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6SHY
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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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6UCN
 | | Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to Equilenin at 250 K | | Descriptor: | CHLORIDE ION, EQUILENIN, MAGNESIUM ION, ... | | Authors: | Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S. | | Deposit date: | 2019-09-16 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6UCY
 | | Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 250 K | | Descriptor: | 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S. | | Deposit date: | 2019-09-18 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
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2OSN
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5VEP
 | | MOUSE KYNURENINE AMINOTRANSFERASE III, RE-REFINEMENT OF THE PDB STRUCTURE 3E2F | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | | Deposit date: | 2017-04-05 | | Release date: | 2017-11-29 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
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3FSJ
 | | Crystal structure of benzoylformate decarboxylase in complex with the inhibitor MBP | | Descriptor: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, CALCIUM ION | | Authors: | Brandt, G.S, Kenyon, G.L, McLeish, M.J, Jordan, F, Petsko, G.A, Ringe, D. | | Deposit date: | 2009-01-09 | | Release date: | 2009-01-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Snapshot of a reaction intermediate: analysis of benzoylformate decarboxylase in complex with a benzoylphosphonate inhibitor.
Biochemistry, 48, 2009
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5UYY
 | | Crystal structure of prephenate dehydrogenase tyrA from Bacillus anthracis in complex with L-tyrosine | | Descriptor: | Prephenate dehydrogenase, TYROSINE | | Authors: | Shabalin, I.G, Hou, J, Cymborowski, M.T, Kwon, K, Christendat, D, Gritsunov, A.O, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-02-24 | | Release date: | 2017-03-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 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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3TPL
 | | APO Structure of BACE1 | | Descriptor: | Beta-secretase 1, CHLORIDE ION, SULFATE ION | | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | | Deposit date: | 2011-09-08 | | Release date: | 2011-11-23 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
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8AZC
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7PUX
 | | Structure of p97 N-D1(L198W) in complex with Fragment TROLL2 | | Descriptor: | (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bothe, S, Schindelin, H. | | Deposit date: | 2021-10-01 | | Release date: | 2022-12-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97
Commun Chem, 5, 2022
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3SOI
 | | Crystallographic structure of Bacillus licheniformis beta-lactamase W210F/W229F/W251F at 1.73 angstrom resolution | | Descriptor: | Beta-lactamase, CITRIC ACID | | Authors: | Acierno, J.P, Capaldi, S, Risso, V.A, Monaco, H.L, Ermacora, M.R. | | Deposit date: | 2011-06-30 | | Release date: | 2011-12-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.729 Å) | | Cite: | X-ray evidence of a native state with increased compactness populated by tryptophan-less B. licheniformis beta-lactamase.
Protein Sci., 21, 2012
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5F3H
 | | Structure of myostatin in complex with humanized RK35 antibody | | Descriptor: | Growth/differentiation factor 8, humanized RK35 antibody heavy chain, humanized RK35 antibody light chain | | Authors: | Parris, K.D, Mosyak, L. | | Deposit date: | 2015-12-02 | | Release date: | 2016-09-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Beyond CDR-grafting: Structure-guided humanization of framework and CDR regions of an anti-myostatin antibody.
Mabs, 8, 2016
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7RHO
 | | Human IgG1 Fc fragment, hinge-free, expressed in E. coli | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fc fragment of human IgG1 | | Authors: | Gallagher, D.T. | | Deposit date: | 2021-07-18 | | Release date: | 2022-11-09 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Effects of glycans and hinge on dynamics in the IgG1 Fc.
J.Biomol.Struct.Dyn., 2023
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5F3B
 | | Structure of myostatin in complex with chimeric RK35 antibody | | Descriptor: | GLYCEROL, Growth/differentiation factor 8, RK35 Chimeric antibody heavy chain, ... | | Authors: | Parris, K.D, Mosyak, L. | | Deposit date: | 2015-12-02 | | Release date: | 2016-09-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Beyond CDR-grafting: Structure-guided humanization of framework and CDR regions of an anti-myostatin antibody.
Mabs, 8, 2016
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6DXQ
 | | Crystal structure of the LigJ Hydratase product complex with 4-carboxy-4-hydroxy-2-oxoadipate | | Descriptor: | (2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid, 4-oxalomesaconate hydratase, ZINC ION | | Authors: | Mabanglo, M.F, Raushel, F.M. | | Deposit date: | 2018-06-29 | | Release date: | 2018-09-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway.
Biochemistry, 57, 2018
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6T62
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8DTA
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5EUJ
 | | PYRUVATE DECARBOXYLASE FROM ZYMOBACTER PALMAE | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Pyruvate decarboxylase, ... | | Authors: | Buddrus, L, Crennell, S.J, Leak, D.J, Danson, M.J, Andrews, E.S.V, Arcus, V.L. | | Deposit date: | 2015-11-18 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of pyruvate decarboxylase from Zymobacter palmae.
Acta Crystallogr.,Sect.F, 72, 2016
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3T94
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5VET
 | | PHOSPHOLIPASE A2, RE-REFINEMENT OF THE PDB STRUCTURE 1JQ8 WITHOUT THE PUTATIVE COMPLEXED OLIGOPEPTIDE | | Descriptor: | Phospholipase A2 VRV-PL-VIIIa | | Authors: | Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | | Deposit date: | 2017-04-05 | | Release date: | 2018-06-20 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
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6CXD
 | | Crystal structure of peptidase B from Yersinia pestis CO92 at 2.75 A resolution | | Descriptor: | Peptidase B, SULFATE ION | | Authors: | Woinska, M, Lipowska, J, Shabalin, I.G, Cymborowski, M, Grimshaw, S, Winsor, J, Shuvalova, L, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-04-02 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.75 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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8C3T
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