7B5S
 
 | | Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: CUL1-RBX1-ARIH1 Ariadne. Transition State 1 | | Descriptor: | Cullin-1, E3 ubiquitin-protein ligase ARIH1, E3 ubiquitin-protein ligase RBX1, ... | | Authors: | Horn-Ghetko, D, Prabu, J.R, Schulman, B.A. | | Deposit date: | 2020-12-07 | | Release date: | 2021-02-10 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Ubiquitin ligation to F-box protein targets by SCF-RBR E3-E3 super-assembly.
Nature, 590, 2021
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7B5L
 | | Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: NEDD8-CUL1-RBX1-SKP1-SKP2-CKSHS1-Cyclin A-CDK2-p27-UBE2L3~Ub~ARIH1. Transition State 1 | | Descriptor: | 5-azanylpentan-2-one, Cullin-1, Cyclin-A2, ... | | Authors: | Horn-Ghetko, D, Prabu, J.R, Schulman, B.A. | | Deposit date: | 2020-12-04 | | Release date: | 2021-02-10 | | Last modified: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Ubiquitin ligation to F-box protein targets by SCF-RBR E3-E3 super-assembly.
Nature, 590, 2021
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7B5M
 | | Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: CUL1-RBX1-SKP1-SKP2-CKSHS1-p27~Ub~ARIH1. Transition State 2 | | Descriptor: | Cullin-1, Cyclin-dependent kinase inhibitor 1B, Cyclin-dependent kinases regulatory subunit 1, ... | | Authors: | Horn-Ghetko, D, Prabu, J.R, Schulman, B.A. | | Deposit date: | 2020-12-05 | | Release date: | 2021-02-17 | | Last modified: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (3.91 Å) | | Cite: | Ubiquitin ligation to F-box protein targets by SCF-RBR E3-E3 super-assembly.
Nature, 590, 2021
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7AHS
 | | titin-N2A Ig81-Ig83 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Isoform 5 of Titin, ... | | Authors: | Fleming, J.R, Mayans, O. | | Deposit date: | 2020-09-25 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The N2A region of titin has a unique structural configuration.
J.Gen.Physiol., 153, 2021
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7AVH
 | | Streptococcal High Identity Repeats in Tandem (SHIRT) domains 3-4 from cell surface protein SGO_0707 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, LPXTG cell wall surface protein | | Authors: | Whelan, F, Jenkins, H.T, Potts, J.R. | | Deposit date: | 2020-11-05 | | Release date: | 2021-06-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Periscope Proteins are variable-length regulators of bacterial cell surface interactions.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7AVK
 | | Streptococcal High Identity Repeats in Tandem (SHIRT) domain 10 from cell surface protein SGO_0707 | | Descriptor: | LPXTG cell wall surface protein, isothiocyanate | | Authors: | Degut, C, Gilburt, J, Whelan, F, Jenkins, H.T, Potts, J.R. | | Deposit date: | 2020-11-05 | | Release date: | 2021-06-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (0.82 Å) | | Cite: | Periscope Proteins are variable-length regulators of bacterial cell surface interactions.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7AVJ
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5MIL
 | | Pirating conserved phage mechanisms promotes promiscuous staphylococcal pathogenicity islands transfer. | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPase family protein, MAGNESIUM ION | | Authors: | Donderis, J, Marina, A, Penades, J.R. | | Deposit date: | 2016-11-28 | | Release date: | 2017-09-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Pirating conserved phage mechanisms promotes promiscuous staphylococcal pathogenicity island transfer.
Elife, 6, 2017
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4X55
 | | Structure of the class D Beta-Lactamase OXA-225 K82D in Acyl-Enzyme Complex with Ceftazidime | | Descriptor: | 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase OXA-225 | | Authors: | Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A. | | Deposit date: | 2014-12-04 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.941 Å) | | Cite: | Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii.
Biochemistry, 54, 2015
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5BQN
 | | Crystal structure of the LHn fragment of botulinum neurotoxin type D, mutant H233Y E230Q | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Botulinum neurotoxin type D,Botulinum neurotoxin type D | | Authors: | Masuyer, G, Davies, J.R, Moore, K, Chaddock, J.A, Acharya, K.R. | | Deposit date: | 2015-05-29 | | Release date: | 2015-08-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of Clostridium botulinum neurotoxin type D as a platform for the development of targeted secretion inhibitors.
Sci Rep, 5, 2015
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5BKE
 | | Crystal structure of AAD-2 in complex with Mn(II) and N-oxalylglycine | | Descriptor: | Alpha-ketoglutarate-dependent 2,4-dichlorophenoxyacetate dioxygenase, MANGANESE (II) ION, N-OXALYLGLYCINE, ... | | Authors: | Chekan, J.R, Nair, S.K. | | Deposit date: | 2019-06-02 | | Release date: | 2019-06-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5BK9
 | | AAD-1 Bound to the Vanadyl Ion and Succinate | | Descriptor: | (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, PHOSPHATE ION, SUCCINIC ACID, ... | | Authors: | Ongpipattanakul, C, Chekan, J.R. | | Deposit date: | 2019-06-01 | | Release date: | 2019-06-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5BKC
 | | Crystal structure of AAD-1 in complex with (R)-diclofop, Mn(II), and 2-oxoglutarate | | Descriptor: | (2R)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ... | | Authors: | Chekan, J.R, Nair, S.K. | | Deposit date: | 2019-06-02 | | Release date: | 2019-06-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5B82
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5BKB
 | | Crystal structure of AAD-1 in complex with (R)-dichlorprop, Mn(II), and 2-oxoglutarate | | Descriptor: | (2R)-2-(2,4-dichlorophenoxy)propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ... | | Authors: | Chekan, J.R, Nair, S.K. | | Deposit date: | 2019-06-02 | | Release date: | 2019-06-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.582 Å) | | Cite: | Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5BQM
 | | Crystal structure of SXN101959, a Clostridium botulinum neurotoxin type D derivative and targeted secretion inhibitor | | Descriptor: | Botulinum neurotoxin type D, Somatoliberin,Botulinum neurotoxin type D, ZINC ION | | Authors: | Masuyer, G, Davies, J.R, Moore, K, Chaddock, J.A, Acharya, K.R. | | Deposit date: | 2015-05-29 | | Release date: | 2015-08-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural analysis of Clostridium botulinum neurotoxin type D as a platform for the development of targeted secretion inhibitors.
Sci Rep, 5, 2015
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5BNH
 | | Crystal structure of the HLTF HIRAN domain with a ssDNA fragment | | Descriptor: | ACETATE ION, DNA (5'-D(*(GD)P*GP*TP*G)-3'), DNA (5'-D(*(TD)P*TP*G)-3'), ... | | Authors: | Neculai, D, Walker, J.R, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S. | | Deposit date: | 2015-05-26 | | Release date: | 2016-05-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Co-crystal structure of the HLTF HIRAN domain with a ssDNA fragment
To Be Published
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5BX3
 | | Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with deoxynojirimycin | | Descriptor: | 1,2-ETHANEDIOL, 1-DEOXYNOJIRIMYCIN, CALCIUM ION, ... | | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tankrathok, A, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | | Deposit date: | 2015-06-08 | | Release date: | 2016-05-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2)
Acs Chem.Biol., 11, 2016
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5BVU
 | | Crystal structure of Thermoanaerobacterium xylolyticum GH116 beta-glucosidase | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | | Deposit date: | 2015-06-05 | | Release date: | 2016-05-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2).
Acs Chem.Biol., 11, 2016
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6ZSP
 | | Human serine racemase bound to ATP and malonate. | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | Authors: | Koulouris, C.R, Bax, B.D, Roe, S.M, Atack, J.R. | | Deposit date: | 2020-07-16 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
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6ZUJ
 | | Human serine racemase holoenzyme from 20% DMSO soak (XChem crystallographic fragment screen). | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Koulouris, C.R, Bax, B.D, Roe, S.M, Atack, J.R. | | Deposit date: | 2020-07-23 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
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7SFG
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Cofactor SAM | | Descriptor: | 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 1, DNA Strand 1, ... | | Authors: | Horton, J.R, Pathuri, S, Cheng, X. | | Deposit date: | 2021-10-03 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
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7SFE
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830334A | | Descriptor: | (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (12-MER), ... | | Authors: | Horton, J.R, Pathuri, S, Cheng, X. | | Deposit date: | 2021-10-03 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
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7SIE
 | | Structure of AAP A-domain (residues 351-605) from Staphylococcus epidermidis | | Descriptor: | Accumulation associated protein, CALCIUM ION, CHLORIDE ION | | Authors: | Atkin, K.E, Brentnall, A.S, Dodson, E.J, Whelan, F, Clark, L, Turkenburg, J.P, Potts, J.R. | | Deposit date: | 2021-10-13 | | Release date: | 2022-10-19 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
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7SJK
 | | Structure of PLS A-domain (residues 391-656) from Staphylococcus aureus | | Descriptor: | CALCIUM ION, Pls Plasmin sensitive surface protein | | Authors: | Clark, L, Whelan, F, Atkin, K.E, Brentnall, A.S, Dodson, E.J, Turkenburg, J.P, Potts, J.R. | | Deposit date: | 2021-10-18 | | Release date: | 2022-10-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.208 Å) | | Cite: | Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
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