7PHL
| Human voltage-gated potassium channel Kv3.1 (with EDTA) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, POTASSIUM ION, Potassium voltage-gated channel, ... | Authors: | Chi, G, Qian, P, Castro-Hartmann, P, Venkaya, S, Singh, N.K, McKinley, G, Mukhopadhyay, S.M.M, Fernandez-Cid, A, Pike, A.C.W, Marsden, B, MacLean, E.M, Sader, K, Burgess-Brown, N.A, Duerr, K.L. | Deposit date: | 2021-08-17 | Release date: | 2022-03-02 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of the human Kv3.1 channel reveals gating control by the cytoplasmic T1 domain. Nat Commun, 13, 2022
|
|
8TDQ
| SFX-XFEL structure of CYP121 cocrystallized with substrate cYY | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. | Deposit date: | 2023-07-04 | Release date: | 2023-11-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121. J.Am.Chem.Soc., 145, 2023
|
|
8TS7
| Human PI3K p85alpha/p110alpha | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
|
|
8T7F
| Structure of the S1 variant of Fab F1 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, S1 variant of Fab F1 heavy chain, S1 variant of Fab F1 light chain, ... | Authors: | Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. | Deposit date: | 2023-06-20 | Release date: | 2023-11-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes. Protein Sci., 33, 2024
|
|
6OWY
| Spy H96L:Im7 K20pI-Phe complex; multiple anomalous datasets contained herein for element identification | Descriptor: | CHLORIDE ION, IMIDAZOLE, IODIDE ION, ... | Authors: | Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S. | Deposit date: | 2019-05-12 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Identifying dynamic, partially occupied residues using anomalous scattering. Acta Crystallogr D Struct Biol, 75, 2019
|
|
7PHH
| Human voltage-gated potassium channel Kv3.1 (apo condition) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, POTASSIUM ION, Potassium voltage-gated channel, ... | Authors: | Chi, G, Venkaya, S, Singh, N.K, McKinley, G, Mukhopadhyay, S.M.M, Marsden, B, MacLean, E.M, Fernandez-Cid, A, Pike, A.C.W, Savva, C, Ragan, T.J, Burgess-Brown, N.A, Duerr, K.L. | Deposit date: | 2021-08-17 | Release date: | 2022-03-02 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of the human Kv3.1 channel reveals gating control by the cytoplasmic T1 domain. Nat Commun, 13, 2022
|
|
7PHI
| Human voltage-gated potassium channel Kv3.1 (with Zn) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, POTASSIUM ION, Potassium voltage-gated channel, ... | Authors: | Chi, G, Qian, P, Castro-Hartmann, P, Venkaya, S, Singh, N.K, McKinley, G, Mukhopadhyay, S.M.M, Fernandez-Cid, A, Marsden, B, MacLean, E.M, Pike, A.C.W, Sader, K, Burgess-Brown, N.A, Duerr, K.L. | Deposit date: | 2021-08-17 | Release date: | 2022-03-02 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structure of the human Kv3.1 channel reveals gating control by the cytoplasmic T1 domain. Nat Commun, 13, 2022
|
|
6LZM
| COMPARISON OF THE CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 LYSOZYME AT LOW, MEDIUM, AND HIGH IONIC STRENGTHS | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME | Authors: | Bell, J.A, Wilson, K, Zhang, X.-J, Faber, H.R, Nicholson, H, Matthews, B.W. | Deposit date: | 1991-01-25 | Release date: | 1992-07-15 | Last modified: | 2021-06-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Comparison of the crystal structure of bacteriophage T4 lysozyme at low, medium, and high ionic strengths. Proteins, 10, 1991
|
|
7PHK
| Human voltage-gated potassium channel Kv3.1 in dimeric state (with Zn) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, POTASSIUM ION, Potassium voltage-gated channel, ... | Authors: | Chi, G, Qian, P, Castro-Hartmann, P, Venkaya, S, Singh, N.K, McKinley, G, Mukhopadhyay, S.M.M, Marsden, B, MacLean, E.M, Fernandez-Cid, A, Pike, A.C.W, Sader, K, Burgess-Brown, N.A, Duerr, K.L. | Deposit date: | 2021-08-17 | Release date: | 2022-03-02 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structure of the human Kv3.1 channel reveals gating control by the cytoplasmic T1 domain. Nat Commun, 13, 2022
|
|
8TS9
| Human PI3K p85alpha/p110alpha H1047R bound to compound 1 | Descriptor: | 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
|
|
6O53
| Structure of HLA-A2:01 with peptide MM96 | Descriptor: | Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ... | Authors: | Ying, G, Bitra, A, Zajonc, D.M. | Deposit date: | 2019-03-01 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Anin silico-in vitroPipeline Identifying an HLA-A*02:01+KRAS G12V+Spliced Epitope Candidate for a Broad Tumor-Immune Response in Cancer Patients. Front Immunol, 10, 2019
|
|
8TDP
| Time-resolved SFX-XFEL crystal structure of CYP121 bound with cYY reacted with peracetic acid for 200 milliseconds | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, HYDROGEN PEROXIDE, Mycocyclosin synthase, ... | Authors: | Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. | Deposit date: | 2023-07-04 | Release date: | 2023-11-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121. J.Am.Chem.Soc., 145, 2023
|
|
7MXF
| CD1c with antigen analogue 2 | Descriptor: | (2S)-2,3-dihydroxypropyl hexadecanoate, 2,6-anhydro-1-deoxy-1-[(S)-hydroxy{[(4R,8S,12R,16R,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Cao, T.P, Shahine, A, Rossjohn, J. | Deposit date: | 2021-05-19 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rational design of a hydrolysis-resistant mycobacterial phosphoglycolipid antigen presented by CD1c to T cells. J.Biol.Chem., 297, 2021
|
|
7MX4
| CD1c with antigen analogue 1 | Descriptor: | (2S)-2,3-dihydroxypropyl hexadecanoate, (4S,8R,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl (1R,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl hydrogen (R)-phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Cao, T.P, Shahine, A, Rossjohn, J. | Deposit date: | 2021-05-18 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Rational design of a hydrolysis-resistant mycobacterial phosphoglycolipid antigen presented by CD1c to T cells. J.Biol.Chem., 297, 2021
|
|
5LWN
| Crystal structure of JAK3 in complex with Compound 5 (FM409) | Descriptor: | (2~{S})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S},2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]propanamide, (~{Z})-2-cyano-~{N},~{N}-dimethyl-3-[5-[3-[(1~{S},2~{R})-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-4-yl]furan-2-yl]prop-2-enamide, 1,2-ETHANEDIOL, ... | Authors: | Chaikuad, A, Forster, M, Mukhopadhyay, S, Kupinska, K, Ellis, K, Mahajan, P, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Laufer, S.A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-18 | Release date: | 2016-10-26 | Last modified: | 2016-11-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Selective JAK3 Inhibitors with a Covalent Reversible Binding Mode Targeting a New Induced Fit Binding Pocket. Cell Chem Biol, 23, 2016
|
|
7PKR
| Vault structure in primmed conformation | Descriptor: | Major vault protein | Authors: | Guerra, P, Gonzalez-Alamos, M, Llauro, A, Casanas, A, Querol-Audi, J, de Pablo, P, Verdaguer, N. | Deposit date: | 2021-08-26 | Release date: | 2022-03-16 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Symmetry disruption commits vault particles to disassembly. Sci Adv, 8, 2022
|
|
8TSC
| Human PI3K p85alpha/p110alpha H1047R bound to compound 3 | Descriptor: | (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.62 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
|
|
7MXH
| CD1c with antigen analogue 3 | Descriptor: | (2S)-2,3-dihydroxypropyl hexadecanoate, 2,6-anhydro-1-deoxy-1,1-difluoro-1-[(R)-hydroxy{[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cao, T.P, Shahine, A, Rossjohn, J. | Deposit date: | 2021-05-19 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Rational design of a hydrolysis-resistant mycobacterial phosphoglycolipid antigen presented by CD1c to T cells. J.Biol.Chem., 297, 2021
|
|
7PKY
| Half-vault structure | Descriptor: | Major vault protein | Authors: | Guerra, P, Gonzalez-Alamos, M, Llauro, A, Casanas, A, Querol-Audi, J, de Pablo, P, Verdaguer, N. | Deposit date: | 2021-08-27 | Release date: | 2022-03-23 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (7.9 Å) | Cite: | Symmetry disruption commits vault particles to disassembly. Sci Adv, 8, 2022
|
|
5M56
| Monoclinic complex structure of human protein kinase CK2 catalytic subunit (isoform CK2alpha') with the inhibitor 4'-carboxy-6,8-chloro-flavonol (FLC21) | Descriptor: | 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha', ... | Authors: | Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. | Deposit date: | 2016-10-20 | Release date: | 2017-01-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.237 Å) | Cite: | Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor. Pharmaceuticals, 10, 2017
|
|
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
|
|
6OAZ
| Apo Structure of WT Lipoprotein Lipase in Complex with GPIHBP1 Mutant N78D N82D produced in HEK293-F cells | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Arora, R, Horton, P.A, Benson, T.E, Romanowski, M.J. | Deposit date: | 2019-03-19 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Structure of lipoprotein lipase in complex with GPIHBP1. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
8P37
| Structure a catalytically inactive mutant of the IMP dehydrogenase related protein GUAB3 from Synechocystis PCC 6803 | Descriptor: | IMP dehydrogenase subunit, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, XANTHOSINE-5'-MONOPHOSPHATE | Authors: | Hernandez-Gomez, A, Fernandez-Justel, D, Buey, R.M. | Deposit date: | 2023-05-17 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.219 Å) | Cite: | GuaB3, an overlooked enzyme in cyanobacteria's toolbox that sheds light on IMP dehydrogenase evolution. Structure, 31, 2023
|
|
6OG4
| plasminogen binding group A streptococcal M protein | Descriptor: | Plasminogen, Plasminogen-binding group A streptococcal M-like protein PAM, SULFATE ION | Authors: | Law, R.H.P, Quek, A.J, Whisstock, J.C, Caradoc-Davies, T.T. | Deposit date: | 2019-04-01 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and Function Characterization of the a1a2 Motifs of Streptococcus pyogenes M Protein in Human Plasminogen Binding. J.Mol.Biol., 431, 2019
|
|
5M1D
| Crystal structure of N-terminally tagged UbiD from E. coli reconstituted with prFMN cofactor | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, MANGANESE (II) ION, ... | Authors: | Marshall, S.A, Leys, D. | Deposit date: | 2016-10-07 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis. J. Biol. Chem., 292, 2017
|
|