8VQ9
 
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8VQ4
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-125A. | | Descriptor: | (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | Deposit date: | 2024-01-17 | | Release date: | 2024-01-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | An allosteric cyclin E-CDK2 site mapped by paralog hopping with covalent probes.
Nat.Chem.Biol., 2024
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8VQ3
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | | Descriptor: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | Deposit date: | 2024-01-17 | | Release date: | 2024-01-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | An allosteric cyclin E-CDK2 site mapped by paralog hopping with covalent probes.
Nat.Chem.Biol., 2024
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8VQ2
 | | HSV1 polymerase ternary complex with dsDNA and compound 44 | | Descriptor: | 2-(4-bromophenyl)-N-(3-methoxy-4-{[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl}phenyl)acetamide, DNA (5'-D(P*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*TP*GP*GP*TP*AP*GP*GP*GP*GP*AP*AP*GP*GP*AP*T)-3'), ... | | Authors: | Hayes, R.P, Heo, M.R, Plotkin, M. | | Deposit date: | 2024-01-17 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (3.829 Å) | | Cite: | Discovery of Broad-Spectrum Herpes Antiviral Oxazolidinone Amide Derivatives and Their Structure-Activity Relationships.
Acs Med.Chem.Lett., 15, 2024
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8VQ1
 | | Pseudomonas fluorescens G150T isocyanide hydratase at 298 K XFEL data, thioimidate intermediate | | Descriptor: | CHLORIDE ION, Isonitrile hydratase InhA, N-(4-nitrophenyl)methanimine | | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | | Deposit date: | 2024-01-17 | | Release date: | 2024-02-21 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
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8VQ0
 | | UIC-13-MER extension of UIC-1 | | Descriptor: | METHANOL, UIC-13-MER | | Authors: | Ganatra, P. | | Deposit date: | 2024-01-17 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons.
J.Am.Chem.Soc., 146, 2024
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8VPZ
 | | UIC-1-BPE1MER mutation of UIC-1-cap | | Descriptor: | METHANOL, UIC-1-BPE1MER | | Authors: | Ganatra, P. | | Deposit date: | 2024-01-17 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons.
J.Am.Chem.Soc., 146, 2024
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8VPY
 | | UIC-16-MER extension of UIC-1 | | Descriptor: | METHANOL, UIC-16-MER | | Authors: | Ganatra, P. | | Deposit date: | 2024-01-17 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons.
J.Am.Chem.Soc., 146, 2024
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8VPX
 | | UIC-10-BPE extension of UIC-1 | | Descriptor: | UIC-10-BPE | | Authors: | Ganatra, P. | | Deposit date: | 2024-01-17 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons.
J.Am.Chem.Soc., 146, 2024
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8VPW
 | | Pseudomonas fluorescens G150T isocyanide hydratase at 298 K XFEL data, free enzyme | | Descriptor: | CHLORIDE ION, Isonitrile hydratase InhA | | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | | Deposit date: | 2024-01-17 | | Release date: | 2024-02-21 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
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8VPV
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8VPU
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8VPT
 | | UIC-14-BPE extension of UIC-1 | | Descriptor: | ACETONITRILE, UIC-14-BPE | | Authors: | Ganatra, P. | | Deposit date: | 2024-01-16 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (0.94 Å) | | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons.
J.Am.Chem.Soc., 146, 2024
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8VPS
 | | UIC-12-BPE extension of UIC-1 | | Descriptor: | DIMETHYLFORMAMIDE, UIC-12-BPE | | Authors: | Ganatra, P. | | Deposit date: | 2024-01-16 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons.
J.Am.Chem.Soc., 146, 2024
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8VPR
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8VPP
 | | Phosphorylated human NCC in complex with chlorthalidone | | Descriptor: | 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide, Solute carrier family 12 member 3 | | Authors: | Zhao, Y.X, Cao, E.H. | | Deposit date: | 2024-01-16 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural bases for Na + -Cl - cotransporter inhibition by thiazide diuretic drugs and activation by kinases.
Nat Commun, 15, 2024
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8VPO
 | | X-Ray Crystal Structure of TigE from Paramaledivibacter caminithermalis | | Descriptor: | GLYCEROL, IRON/SULFUR CLUSTER, Radical SAM core domain-containing protein | | Authors: | Grove, T.L, Lachowicz, J.C, Zizola, C. | | Deposit date: | 2024-01-16 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structural, Biochemical, and Bioinformatic Basis for Identifying Radical SAM Cyclopropyl Synthases.
Acs Chem.Biol., 19, 2024
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8VPN
 | | Phosphorylated human NCC in complex with indapamide | | Descriptor: | 4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide, ADENOSINE-5'-TRIPHOSPHATE, Solute carrier family 12 member 3 | | Authors: | Zhao, Y.X, Cao, E.H. | | Deposit date: | 2024-01-16 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural bases for Na + -Cl - cotransporter inhibition by thiazide diuretic drugs and activation by kinases.
Nat Commun, 15, 2024
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8VPJ
 | | UIC-11-BPE extension of UIC-1 | | Descriptor: | ACETONITRILE, UIC-11-BPE | | Authors: | Ganatra, P. | | Deposit date: | 2024-01-16 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons.
J.Am.Chem.Soc., 146, 2024
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8VPI
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8VPH
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8VPG
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8VPE
 | | UIC-10-BIF extension of UIC-1 | | Descriptor: | ACETONITRILE, UIC-10-BIF | | Authors: | Ganatra, P. | | Deposit date: | 2024-01-16 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (0.91 Å) | | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons.
J.Am.Chem.Soc., 146, 2024
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8VPD
 | | UIC-11-BIF extension of UIC-1 | | Descriptor: | ACETONITRILE, UIC-11-BIF | | Authors: | Ganatra, P. | | Deposit date: | 2024-01-16 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons.
J.Am.Chem.Soc., 146, 2024
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8VPC
 | | UIC-13-BIF extension of UIC-1 | | Descriptor: | UIC-13-BIF | | Authors: | Ganatra, P. | | Deposit date: | 2024-01-16 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (0.94 Å) | | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons.
J.Am.Chem.Soc., 146, 2024
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