4RIS
 
 | | Structural Analysis of the Unmutated Ancestor of the HIV-1 Envelope V2 Region Antibody CH58 Isolated From an RV144 HIV-1 Vaccine Efficacy Trial Vaccinee and Associated with Decreased Transmission Risk | | Descriptor: | CH58-UA Fab heavy chain, CH58-UA Fab light chain, Envelope glycoprotein | | Authors: | Nicely, N.I, Wiehe, K, Kepler, T.B, Jaeger, F.H, Dennison, S.M, Liao, H.-X, Alam, S.M, Hwang, K.-K, Bonsignori, M, Rerks-Ngarm, S, Nitayaphan, S, Pitisuttithum, P, Kaewkungwal, J, Robb, M.L, O'Connell, R.J, Michael, N.L, Kim, J.H, Haynes, B.F. | | Deposit date: | 2014-10-07 | | Release date: | 2015-08-12 | | Last modified: | 2015-09-02 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of the unmutated ancestor of the HIV-1 envelope V2 region antibody CH58 isolated from an RV144 vaccine efficacy trial vaccinee.
EBioMedicine, 2, 2015
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4RIR
 | | Structural Analysis of the Unmutated Ancestor of the HIV-1 Envelope V2 Region Antibody CH58 Isolated From an RV144 HIV-1 Vaccine Efficacy Trial Vaccinee and Associated with Decreased Transmission Risk | | Descriptor: | CH58-UA Fab heavy chain, CH58-UA Fab light chain | | Authors: | Nicely, N.I, Wiehe, K, Kepler, T.B, Jaeger, F.H, Dennison, S.M, Liao, H.-X, Alam, S.M, Hwang, K.-K, Bonsignori, M, Rerks-Ngarm, S, Nitayaphan, S, Pitisuttithum, P, Kaewkungwal, J, Robb, M.L, O'Connell, R.J, Michael, N.L, Kim, J.H, Haynes, B.F. | | Deposit date: | 2014-10-07 | | Release date: | 2015-08-12 | | Last modified: | 2015-09-02 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural analysis of the unmutated ancestor of the HIV-1 envelope V2 region antibody CH58 isolated from an RV144 vaccine efficacy trial vaccinee.
EBioMedicine, 2, 2015
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6P8H
 | | Crystal structure of CDK4 in complex with CyclinD1 and P21 | | Descriptor: | Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1, G1/S-specific cyclin-D1 | | Authors: | Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M. | | Deposit date: | 2019-06-07 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
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6P8G
 | | Crystal structure of CDK4 in complex with CyclinD1 and P27 | | Descriptor: | Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1 | | Authors: | Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M. | | Deposit date: | 2019-06-07 | | Release date: | 2019-12-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
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6P8E
 | | Crystal structure of CDK4 in complex with CyclinD1 and P27 | | Descriptor: | Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1, ... | | Authors: | Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M. | | Deposit date: | 2019-06-07 | | Release date: | 2019-12-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
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6P8F
 | | Crystal structure of CDK4 in complex with CyclinD1 and P27 | | Descriptor: | Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1 | | Authors: | Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M. | | Deposit date: | 2019-06-07 | | Release date: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
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4UU3
 | | Ferulic acid decarboxylase from Enterobacter sp. | | Descriptor: | FERULIC ACID DECARBOXYLASE | | Authors: | Hromic, A, Pavkov-Keller, T, Steinkellner, G, Lyskowski, A, Wuensch, C, Gross, J, Fuchs, M, Fauland, K, Glueck, S.M, Faber, K, Gruber, K. | | Deposit date: | 2014-07-24 | | Release date: | 2015-06-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Regioselective Enzymatic Beta-Carboxylation of Para-Hydroxy-Styrene Derivatives Catalyzed by Phenolic Acid Decarboxylases.
Adv. Synth. Catal., 357, 2015
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8IF6
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7ZCJ
 | | Crystal structure of Pizza6-TNH-TSH with Silicotungstic Acid (STA) polyoxometalate | | Descriptor: | Keggin (STA), Pizza6-TNH-TSH | | Authors: | Wouters, S.M.L, Kamata, K, Takahashi, K, Vandebroek, L, Parac-Vogt, T.N, Tame, J.R.H, Voet, A.R.D. | | Deposit date: | 2022-03-28 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Mutational study of a symmetry matched protein-polyoxometalate interface
To be published
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8PO8
 | | Structure of Escherichia coli HrpA in complex with ADP and oligonucleotide poly(dC)11 forming an i-motif | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase HrpA, DNA (5'-D(P*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*C)-3'), ... | | Authors: | Xin, B.G, Yuan, L.G, Zhang, L.L, Xie, S.M, Liu, N.N, Ai, X, Li, H.H, Rety, S, Xi, X.G. | | Deposit date: | 2023-07-03 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Structural insights into the N-terminal APHB domain of HrpA: mediating canonical and i-motif recognition.
Nucleic Acids Res., 52, 2024
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7N40
 | | Crystal structure of LIN9-RbAp48-LIN37, a MuvB subcomplex | | Descriptor: | Histone-binding protein RBBP4, Isoform 2 of Protein lin-9 homolog, Protein lin-37 homolog | | Authors: | Asthana, A, Ramanan, P, Tripathi, S.M, Rubin, S.M. | | Deposit date: | 2021-06-02 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The MuvB complex binds and stabilizes nucleosomes downstream of the transcription start site of cell-cycle dependent genes.
Nat Commun, 13, 2022
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4V2K
 | | Crystal structure of the thiosulfate dehydrogenase TsdA in complex with thiosulfate | | Descriptor: | HEME C, THIOSULFATE, THIOSULFATE DEHYDROGENASE | | Authors: | Grabarczyk, D.B, Chappell, P.E, Eisel, B, Johnson, S, Lea, S.M, Berks, B.C. | | Deposit date: | 2014-10-10 | | Release date: | 2015-02-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Mechanism of Thiosulfate Oxidation in the Soxa Family of Cysteine-Ligated Cytochromes
J.Biol.Chem., 290, 2015
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4UWQ
 | | Crystal structure of the disulfide-linked complex of the thiosulfodyrolase SoxB with the carrier-protein SoxYZ from Thermus thermophilus | | Descriptor: | MANGANESE (II) ION, SOXY PROTEIN, SOXZ, ... | | Authors: | Grabarczyk, D.B, Chappell, P.E, Johnson, S, Stelzl, L.S, Lea, S.M, Berks, B.C. | | Deposit date: | 2014-08-14 | | Release date: | 2015-12-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.28 Å) | | Cite: | Structural Basis for Specificity and Promiscuity in a Carrier Protein/Enzyme System from the Sulfur Cycle
Proc.Natl.Acad.Sci.USA, 112, 2015
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6XF1
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8C60
 | | Cryo-EM structure of the human SIN3B full-length complex at 3.4 Angstrom resolution | | Descriptor: | CALCIUM ION, Histone deacetylase 2, Isoform 2 of Paired amphipathic helix protein Sin3b, ... | | Authors: | Alfieri, C, Wan, S.M, Muhammad, R. | | Deposit date: | 2023-01-10 | | Release date: | 2023-05-10 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex.
Nat Commun, 14, 2023
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6XR8
 | | Distinct conformational states of SARS-CoV-2 spike protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Rawson, S, Volloch, S.R, Chen, B. | | Deposit date: | 2020-07-11 | | Release date: | 2020-07-22 | | Last modified: | 2020-11-25 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Distinct conformational states of SARS-CoV-2 spike protein.
Science, 369, 2020
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8BZS
 | | The crystal structure of glycogen phosphorylase in complex with baicalein | | Descriptor: | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, Glycogen phosphorylase, muscle form, ... | | Authors: | Koulas, S.M, Mathomes, R, Hayes, J.M, Leonidas, D.D. | | Deposit date: | 2022-12-15 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Multidisciplinary docking, kinetics and X-ray crystallography studies of baicalein acting as a glycogen phosphorylase inhibitor and determination of its' potential against glioblastoma in cellular models.
Chem.Biol.Interact., 382, 2023
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6L76
 | | Crystal structure of the Ni(II)(Chro)2-d(TTGGGCCGAA/TTCGGCCCAA) complex at 2.94 angstrom resolution | | Descriptor: | (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol, ... | | Authors: | Hou, M.H, Jhan, C.R, Satange, R.B, Lin, S.M. | | Deposit date: | 2019-10-31 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Targeting the ALS/FTD-associated A-DNA kink with anthracene-based metal complex causes DNA backbone straightening and groove contraction.
Nucleic Acids Res., 49, 2021
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5AZJ
 | | Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with 4NP (with disulfide bridge) | | Descriptor: | 4-NITROPHENYL PHOSPHATE, GLYCEROL, Glycerol kinase | | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Tokuoka, S.M, Tokumasu, F, Sakamoto, K, Michels, P.A.M, Harada, S, Kita, K. | | Deposit date: | 2015-10-08 | | Release date: | 2016-10-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Glycerol kinase of African trypanosomes possesses an intrinsic phosphatase activity.
Biochim Biophys Acta Gen Subj, 1861, 2017
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5B7Z
 | | Crystal Structure of Hyperthermophilic Thermotoga maritima L-Ketose-3-Epimerase with Ni2+ | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, NICKEL (II) ION, ... | | Authors: | Cao, T.P, Shin, S.M, Lee, D.W, Lee, S.H. | | Deposit date: | 2016-06-10 | | Release date: | 2017-03-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | TM0416, a Hyperthermophilic Promiscuous Nonphosphorylated Sugar Isomerase, Catalyzes Various C5and C6Epimerization Reactions
Appl. Environ. Microbiol., 83, 2017
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5B80
 | | Crystal Structure of Hyperthermophilic Thermotoga maritima L-Ketose-3-Epimerase with Cu2+ | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, COPPER (II) ION, Uncharacterized protein TM_0416 | | Authors: | Cao, T.P, Shin, S.M, Lee, D.W, Lee, S.H. | | Deposit date: | 2016-06-10 | | Release date: | 2017-03-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | TM0416, a Hyperthermophilic Promiscuous Nonphosphorylated Sugar Isomerase, Catalyzes Various C5and C6Epimerization Reactions
Appl. Environ. Microbiol., 83, 2017
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8FLK
 | | Cryo-EM structure of STING oligomer bound to cGAMP and NVS-STG2 | | Descriptor: | 4-({[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl}amino)-3-methoxybenzoic acid, Stimulator of interferon genes protein, cGAMP | | Authors: | Li, J, Canham, S.M, Zhang, X, Bai, X, Feng, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2023-11-01 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Activation of human STING by a molecular glue-like compound.
Nat.Chem.Biol., 20, 2024
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8FLM
 | | Cryo-EM structure of STING oligomer bound to cGAMP, NVS-STG2 and C53 | | Descriptor: | 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide, 4-({[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl}amino)-3-methoxybenzoic acid, Stimulator of interferon genes protein, ... | | Authors: | Li, J, Canham, S.M, Zhang, X, Bai, X, Feng, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2023-11-01 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Activation of human STING by a molecular glue-like compound.
Nat.Chem.Biol., 20, 2024
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6LNN
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6LNU
 | | Cryo-EM structure of immature Zika virus | | Descriptor: | Genome polyprotein | | Authors: | Tan, T.Y, Fibriansah, G, Kostyuchenko, V.A, Ng, T.S, Lim, X.X, Lim, X.N, Shi, J, Morais, M.C, Corti, D, Lok, S.M. | | Deposit date: | 2020-01-02 | | Release date: | 2020-02-26 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (9 Å) | | Cite: | Capsid protein structure in Zika virus reveals the flavivirus assembly process.
Nat Commun, 11, 2020
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