6NER
 
 | | Synthetic Haliangium ochraceum BMC shell | | Descriptor: | BMC-H tandem fusion protein, SULFATE ION | | Authors: | Sutter, M, McGuire, S, Aussignargues, C, Kerfeld, C.A. | | Deposit date: | 2018-12-18 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | Structural Characterization of a Synthetic Tandem-Domain Bacterial Microcompartment Shell Protein Capable of Forming Icosahedral Shell Assemblies.
ACS Synth Biol, 8, 2019
|
|
8PM3
 | | Crystal structure of MAP2K6 with a covalent compound GCL94 | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 6, ~{N}-[3-(2-azanylpyridin-4-yl)phenyl]propanamide | | Authors: | Wang, G.Q, Seidler, N, Roehm, S, Gehringer, M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-28 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of MAP2K6 with a covalent compound GCL94
To Be Published
|
|
8STV
 | | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) variant in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600), a non-nucleoside inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, MAGNESIUM ION, ... | | Authors: | Hollander, K, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-05-11 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
|
|
7W2F
 | |
7N5L
 | | PCNA from Thermococcus gammatolerans: crystal II, collection 20, 3.07 A, 77.0 MGy | | Descriptor: | DNA polymerase sliding clamp, GLYCEROL, SULFATE ION | | Authors: | Marin-Tovar, Y, Rudino-Pinera, E. | | Deposit date: | 2021-06-05 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | PCNA from Thermococcus gammatolerans: A protein involved in chromosomal DNA metabolism intrinsically resistant at high levels of ionizing radiation.
Proteins, 90, 2022
|
|
7N5J
 | | PCNA from Thermococcus gammatolerans: crystal I, collection 5, 2.82 A, 89.1 MGy | | Descriptor: | DNA polymerase sliding clamp, GLYCEROL, SULFATE ION | | Authors: | Marin-Tovar, Y, Rudino-Pinera, E. | | Deposit date: | 2021-06-05 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | PCNA from Thermococcus gammatolerans: A protein involved in chromosomal DNA metabolism intrinsically resistant at high levels of ionizing radiation.
Proteins, 90, 2022
|
|
6NKA
 | |
7PVY
 | |
8SOS
 | | Human CD1d presenting sphingomyelin C24:1 in complex with VHH nanobody 1D17 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, Beta-2-microglobulin, ... | | Authors: | Shahine, A, Rossjohn, J. | | Deposit date: | 2023-04-29 | | Release date: | 2023-12-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Enhanced CD1d phosphatidylserine presentation using a single-domain antibody promotes immunomodulatory CD1d-TIM-3 interactions.
J Immunother Cancer, 11, 2023
|
|
5HNL
 | | In-house X-ray single crystal diffraction from protein microcrystals via magnetically oriented microcrystal arrays in gels | | Descriptor: | Lysozyme C | | Authors: | Tsukui, S, Kimura, F, Kusaka, K, Baba, S, Mizuno, N, Kimura, T. | | Deposit date: | 2016-01-18 | | Release date: | 2016-07-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.424 Å) | | Cite: | Neutron and X-ray single-crystal diffraction from protein microcrystals via magnetically oriented microcrystal arrays in gels.
Acta Crystallogr D Struct Biol, 72, 2016
|
|
7N5I
 | | PCNA from Thermococcus gammatolerans: crystal I, collection 1, 1.95 A, 5.22 MGy | | Descriptor: | DNA polymerase sliding clamp, GLYCEROL, SULFATE ION | | Authors: | Marin-Tovar, Y, Rudino-Pinera, E. | | Deposit date: | 2021-06-05 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | PCNA from Thermococcus gammatolerans: A protein involved in chromosomal DNA metabolism intrinsically resistant at high levels of ionizing radiation.
Proteins, 90, 2022
|
|
7YQS
 | | Neutron structure of a L-rhamnose-alpha-1,4-D-glucuronate lyase from Fusarium oxysporum 12S, L-Rha complex | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Yano, N, Kondo, T, Kusaka, K, Yamada, T, Arakawa, T, Sakamoto, T, Fushinobu, S. | | Deposit date: | 2022-08-08 | | Release date: | 2023-08-09 | | Last modified: | 2024-10-23 | | Method: | NEUTRON DIFFRACTION (1.25 Å), X-RAY DIFFRACTION | | Cite: | Charge neutralization and beta-elimination cleavage mechanism of family 42 L-rhamnose-alpha-1,4-D-glucuronate lyase revealed using neutron crystallography.
J.Biol.Chem., 300, 2024
|
|
7N5N
 | | PCNA from Thermococcus gammatolerans: crystal III, collection 15, 2.20 A, 28.7 MGy | | Descriptor: | DNA polymerase sliding clamp, GLYCEROL, SULFATE ION | | Authors: | Marin-Tovar, Y, Rudino-Pinera, E. | | Deposit date: | 2021-06-05 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | PCNA from Thermococcus gammatolerans: A protein involved in chromosomal DNA metabolism intrinsically resistant at high levels of ionizing radiation.
Proteins, 90, 2022
|
|
8VRR
 | | 4H11-scFv antibody | | Descriptor: | 4H11 scFv chain | | Authors: | Lee, K, Perry, K, Yeku, O.O, Spriggs, D.R. | | Deposit date: | 2024-01-22 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Structural basis for antibody recognition of the proximal MUC16 ectodomain.
J Ovarian Res, 17, 2024
|
|
8PVO
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FG5 | | Descriptor: | 1,2-ETHANEDIOL, 2-[1-(1,3-benzothiazol-6-ylsulfonyl)piperidin-4-yl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine, Casein kinase II subunit alpha, ... | | Authors: | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-07-18 | | Release date: | 2023-09-20 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
|
|
7W2D
 | |
7PQI
 | | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with novobiocin | | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN | | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
|
|
5EC7
 | |
7N29
 | | Structure of NAD kinase | | Descriptor: | NAD kinase 2, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Du, J, Estrella, M.A, Jeffrey, P.D, Korennykh, A.V. | | Deposit date: | 2021-05-28 | | Release date: | 2022-05-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of human NADK2 reveals atypical assembly and regulation of NAD kinases from animal mitochondria.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7PQM
 | | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2888 | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
|
|
5HOO
 | |
7PQL
 | | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2704 | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1R)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
|
|
8PEJ
 | | CjGH35 with a Galactosidase Activity-Based Probe | | Descriptor: | (1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, ACETATE ION, Beta-galactosidase, ... | | Authors: | Offen, W.A, Davies, G.J. | | Deposit date: | 2023-06-14 | | Release date: | 2023-10-04 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The development of a broad-spectrum retaining beta-exo-galactosidase activity-based probe.
Org.Biomol.Chem., 21, 2023
|
|
5HX6
 | | Crystal structure of RIP1 kinase with a benzo[b][1,4]oxazepin-4-one | | Descriptor: | 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Campobasso, N, Ward, P. | | Deposit date: | 2016-01-29 | | Release date: | 2016-03-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors.
J.Med.Chem., 59, 2016
|
|
7YVV
 | | AcmP1, R-4-hydroxymandelate synthase | | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, CHLORIDE ION, FE (III) ION, ... | | Authors: | Zhang, B, Ge, H.M. | | Deposit date: | 2022-08-19 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Characterization of AcmP1 as the native R-4-hydroxymandelate synthase from biosynthetic pathway of Amycolamycins
To Be Published
|
|
