7LU0
 
 | | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 4 | | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | | Deposit date: | 2021-02-20 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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8TTD
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7LU1
 | | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 5 | | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | | Deposit date: | 2021-02-20 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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7LU2
 | | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 6 | | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | | Deposit date: | 2021-02-20 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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5X1N
 | | Vanillate/3-O-methylgallate O-demethylase, LigM, protocatechuate-tetrahydrofolate complex form | | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Harada, A, Senda, T. | | Deposit date: | 2017-01-26 | | Release date: | 2017-05-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6
FEBS J., 284, 2017
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5G1A
 | | Bordetella Alcaligenes HDAH bound to PFSAHA | | Descriptor: | 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{N}-oxidanyl-~{N}'-phenyl-octanediamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ... | | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | | Deposit date: | 2016-03-24 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | The thermodynamic signature of ligand binding to histone deacetylase-like amidohydrolases is most sensitive to the flexibility in the L2-loop lining the active site pocket.
Biochim. Biophys. Acta, 1861, 2017
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6DOZ
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7LU3
 | | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 7 | | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | | Deposit date: | 2021-02-20 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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5FVD
 | | Human metapneumovirus N0-P complex | | Descriptor: | CHLORIDE ION, NUCLEOCAPSID, PHOSPHOPROTEIN | | Authors: | Renner, M, Bertinelli, M, Leyrat, C, Paesen, G.C, Saraiva de Oliveira, L.F, Huiskonen, J.T, Grimes, J.M. | | Deposit date: | 2016-02-05 | | Release date: | 2016-02-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Nucleocapsid assembly in pneumoviruses is regulated by conformational switching of the N protein.
Elife, 5, 2016
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8TTA
 | | Structure of retromer VPS29-VPS35 (483-796) complexed with Fam21A repeat 21 (1328-1341) | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Chen, K.-E, Guo, Q, Collins, B.M. | | Deposit date: | 2023-08-13 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (3.46 Å) | | Cite: | Structural basis for coupling of the WASH subunit FAM21 with the endosomal SNX27-Retromer complex.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6DPE
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7LTB
 | | Crystal Structure of Keratinicyclin B | | Descriptor: | (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol, 3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose-(1-2)-beta-D-glucopyranose, FORMIC ACID, ... | | Authors: | Davis, K.M, Jeffrey, P.D, Seyedsayamdost, M.R. | | Deposit date: | 2021-02-19 | | Release date: | 2022-12-07 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Potent and specific antibiotic combination therapy against Clostridioides difficile.
Nat.Chem.Biol., 20, 2024
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5FQ6
 | | Crystal structure of the SusCD complex BT2261-2264 from Bacteroides thetaiotaomicron | | Descriptor: | 3-decanoyloxypropyl decanoate, BT_2261, CALCIUM ION, ... | | Authors: | Glenwright, A.J, Pothula, K.R, Chorev, D.S, Basle, A, Robinson, C.V, Kleinekathoefer, U, Bolam, D.N, van den Berg, B. | | Deposit date: | 2015-12-07 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for nutrient acquisition by dominant members of the human gut microbiota.
Nature, 541, 2017
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8TMW
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8TTC
 | | Structure of retromer VPS29-VPS35 (483-796) complexed with Fam21A repeat 20 (1289-1302) | | Descriptor: | ACETATE ION, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Chen, K.-E, Guo, Q, Collins, B.M. | | Deposit date: | 2023-08-13 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Structural basis for coupling of the WASH subunit FAM21 with the endosomal SNX27-Retromer complex.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6DIO
 | | Structure of class II HMG-CoA reductase from Delftia acidovorans with NAD bound | | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxy-3-methylglutaryl coenzyme A reductase, CITRIC ACID, ... | | Authors: | Ragwan, E.R, Arai, E, Kung, Y. | | Deposit date: | 2018-05-23 | | Release date: | 2018-09-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | New Crystallographic Snapshots of Large Domain Movements in Bacterial 3-Hydroxy-3-methylglutaryl Coenzyme A Reductase.
Biochemistry, 57, 2018
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8TNF
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8TK3
 | | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) having oxidized catalytic cysteine and complexed with 6-(difluoromethyl)pyrimidin-4-ol at two allosteric sites | | Descriptor: | 6-(difluoromethyl)pyrimidin-4-ol, DIMETHYL SULFOXIDE, Dual specificity protein phosphatase 3 | | Authors: | Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. | | Deposit date: | 2023-07-25 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) having oxidized catalytic cysteine and complexed with 6-(difluoromethyl)pyrimidin-4-ol at two allosteric sites
To Be Published
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7LKC
 | | Crystal Structure of Keratinimicin A | | Descriptor: | (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Davis, K.M, Jeffrey, P.D, Seyedsayamdost, M.R. | | Deposit date: | 2021-02-02 | | Release date: | 2022-12-07 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Potent and specific antibiotic combination therapy against Clostridioides difficile.
Nat.Chem.Biol., 20, 2024
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8TQH
 | | MPI68 bound to Mpro of SARS-CoV-2 | | Descriptor: | 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | | Authors: | Blankenship, L.R, Liu, W.R. | | Deposit date: | 2023-08-07 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | MPI68 bound to SARS-CoV-2 Mpro
To Be Published
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8TQU
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6DKZ
 | | Racemic structure of ribifolin, an orbitide from Jatropha ribifolia | | Descriptor: | ribifolin | | Authors: | Wang, C.K, King, G.J, Ramalho, S.D. | | Deposit date: | 2018-05-31 | | Release date: | 2018-11-14 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Synthesis, Racemic X-ray Crystallographic, and Permeability Studies of Bioactive Orbitides from Jatropha Species.
J. Nat. Prod., 81, 2018
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6DQU
 | | Crystal structure of Haemophilus influenzae OppA complex with GIINTL | | Descriptor: | GLY-ILE-ILE-ASN-THR-LEU, Periplasmic oligopeptide-binding protein, SULFATE ION | | Authors: | Tanaka, K.J, Pinkett, H.W. | | Deposit date: | 2018-06-11 | | Release date: | 2018-11-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Oligopeptide-binding protein from nontypeableHaemophilus influenzaehas ligand-specific sites to accommodate peptides and heme in the binding pocket.
J. Biol. Chem., 294, 2019
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5W8X
 | | Lipid A Disaccharide Synthase (LpxB)-7 solubilizing mutations-Bound to UDP | | Descriptor: | Lipid-A-disaccharide synthase, URIDINE-5'-DIPHOSPHATE | | Authors: | Bohl, T.E, Aihara, H, Shi, K, Lee, J.K. | | Deposit date: | 2017-06-22 | | Release date: | 2018-01-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal structure of lipid A disaccharide synthase LpxB from Escherichia coli.
Nat Commun, 9, 2018
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6KJR
 | | Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors | | Descriptor: | 4-[[(3~{E},5~{Z},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid, Putative beta-lactamase | | Authors: | Xiao, F, Dong, S, Feng, Y, Li, W. | | Deposit date: | 2019-07-23 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.361 Å) | | Cite: | Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
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