8BZN
| SARS-CoV-2 non-structural protein 10 (nsp10) variant T102I | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab, ... | Authors: | Wang, H, Rizvi, S.R.A, Dong, D, Lou, J, Wang, Q, Sopipong, W, Najar, F, Agarwal, P.K, Kozielski, F, Haider, S. | Deposit date: | 2022-12-15 | Release date: | 2023-12-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Emerging variants of SARS-CoV-2 NSP10 highlight strong functional conservation of its binding to two non-structural proteins, NSP14 and NSP16. Elife, 12, 2023
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5E8Q
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5EAJ
| Crystal structure of DHFR in 0% Isopropanol | Descriptor: | CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ... | Authors: | Cuneo, M.J, Agarwal, P.K. | Deposit date: | 2015-10-16 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Modulating Enzyme Activity by Altering Protein Dynamics with Solvent. Biochemistry, 57, 2018
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5UJX
| Crystal structure of DHFR in 20% Isopropanol | Descriptor: | CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ... | Authors: | Cuneo, M.J, Agarwal, P.K. | Deposit date: | 2017-01-19 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Modulating Enzyme Activity by Altering Protein Dynamics with Solvent. Biochemistry, 57, 2018
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6X74
| Rev1 Mg2+-facilitated Product Complex with no monophosphates | Descriptor: | CHLORIDE ION, DNA (5'-D(*GP*GP*GP*GP*TP*GP*TP*GP*GP*TP*AP*GP*C*)-3'), DNA (5'-D(P*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), ... | Authors: | Weaver, T.M, Freudenthal, B.D. | Deposit date: | 2020-05-29 | Release date: | 2020-09-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Visualizing Rev1 catalyze protein-template DNA synthesis. Proc.Natl.Acad.Sci.USA, 117, 2020
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6X71
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6MV6
| Crystal structure of RNAse 6 | Descriptor: | PHOSPHATE ION, Ribonuclease K6 | Authors: | Couture, J.-F, Doucet, N. | Deposit date: | 2018-10-24 | Release date: | 2019-11-13 | Last modified: | 2020-05-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Insights into Structural and Dynamical Changes Experienced by Human RNase 6 upon Ligand Binding. Biochemistry, 59, 2020
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6MV7
| Crystal structure of RNAse 6 | Descriptor: | ADENOSINE MONOPHOSPHATE, Ribonuclease K6 | Authors: | Couture, J.-F, Doucet, N. | Deposit date: | 2018-10-24 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Insights into Structural and Dynamical Changes Experienced by Human RNase 6 upon Ligand Binding. Biochemistry, 59, 2020
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4WYP
| The crystal structure of the A109G mutant of RNase A in complex with 5'AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Ribonuclease pancreatic | Authors: | French, R.L, Gagne, D, Doucet, N, Simonovic, M. | Deposit date: | 2014-11-17 | Release date: | 2015-11-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.502 Å) | Cite: | Perturbation of the Conformational Dynamics of an Active-Site Loop Alters Enzyme Activity. Structure, 23, 2015
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4WYZ
| The crystal structure of the A109G mutant of RNase A in complex with 3'UMP | Descriptor: | 3'-URIDINEMONOPHOSPHATE, Ribonuclease pancreatic | Authors: | French, R.L, Gagne, D, Doucet, N, Simonovic, M. | Deposit date: | 2014-11-18 | Release date: | 2015-11-18 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Perturbation of the Conformational Dynamics of an Active-Site Loop Alters Enzyme Activity. Structure, 23, 2015
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4WYN
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6NP5
| AAC-VIa bound to Kanamycin B | Descriptor: | (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION | Authors: | Kumar, P, Cuneo, M.J. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.353 Å) | Cite: | Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad. Angew.Chem.Int.Ed.Engl., 58, 2019
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6NTI
| Neutron/X-ray crystal structure of AAC-VIa bound to kanamycin b | Descriptor: | (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2019-01-29 | Release date: | 2019-09-25 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION | Cite: | Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad. Angew.Chem.Int.Ed.Engl., 58, 2019
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6NP4
| AAC-VIa bound to Tobramycin | Descriptor: | Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION, TOBRAMYCIN | Authors: | Kumar, P, Cuneo, M.J. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.151 Å) | Cite: | Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad. Angew.Chem.Int.Ed.Engl., 58, 2019
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6NP1
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6NP3
| AAC-VIa bound to Gentamicin | Descriptor: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION | Authors: | Kumar, P, Cuneo, M.J. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad. Angew.Chem.Int.Ed.Engl., 58, 2019
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6NTJ
| Neutron/X-ray crystal structure of AAC-VIa bound to gentamicin C1A | Descriptor: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2019-01-29 | Release date: | 2019-09-25 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | Cite: | Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad. Angew.Chem.Int.Ed.Engl., 58, 2019
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6NP2
| AAC-VIa bound to Sisomicin | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION | Authors: | Kumar, P, Cuneo, M.J. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad. Angew.Chem.Int.Ed.Engl., 58, 2019
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6O5U
| AAC-VIa bound to Kanamycin A | Descriptor: | Aminoglycoside N(3)-acetyltransferase, KANAMYCIN A, MAGNESIUM ION | Authors: | Kumar, P, Cuneo, M.J. | Deposit date: | 2019-03-04 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad. Angew.Chem.Int.Ed.Engl., 58, 2019
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5HM4
| Crystal structure of oligopeptide ABC transporter, periplasmic oligopeptide-binding protein (TM1226) from THERMOTOGA MARITIMA at 2.0 A resolution | Descriptor: | CALCIUM ION, Mannoside ABC transport system, sugar-binding protein | Authors: | Lu, X, Ghimire-Rijal, S, Myles, D.A.A, Cuneo, M.J. | Deposit date: | 2016-01-15 | Release date: | 2016-11-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Periplasmic Binding Protein Dimer Has a Second Allosteric Event Tied to Ligand Binding. Biochemistry, 56, 2017
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7LPH
| APE1 Mn-bound product complex with abasic ribonucleotide DNA | Descriptor: | DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-R(P*N)-D(P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ... | Authors: | Freudenthal, B.D, Hoitsma, N.M. | Deposit date: | 2021-02-11 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Altered APE1 activity on abasic ribonucleotides is mediated by changes in the nucleoside sugar pucker. Comput Struct Biotechnol J, 19, 2021
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7LPJ
| APE1 Mn-bound phosphorothioate substrate complex with abasic ribonucleotide DNA | Descriptor: | DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-R(P*(YA4))-D(P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA-(apurinic or apyrimidinic site) lyase, ... | Authors: | Freudenthal, B.D, Hoitsma, N.M. | Deposit date: | 2021-02-11 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Altered APE1 activity on abasic ribonucleotides is mediated by changes in the nucleoside sugar pucker. Comput Struct Biotechnol J, 19, 2021
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7LPG
| APE1 product complex with abasic ribonucleotide DNA | Descriptor: | DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-R(P*N)-D(P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ... | Authors: | Freudenthal, B.D, Hoitsma, N.M. | Deposit date: | 2021-02-11 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Altered APE1 activity on abasic ribonucleotides is mediated by changes in the nucleoside sugar pucker. Comput Struct Biotechnol J, 19, 2021
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7LPI
| APE1 phosphorothioate substrate complex with abasic ribonucleotide DNA | Descriptor: | DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-R(P*(YA4))-D(P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA-(apurinic or apyrimidinic site) lyase | Authors: | Freudenthal, B.D, Hoitsma, N.M. | Deposit date: | 2021-02-11 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Altered APE1 activity on abasic ribonucleotides is mediated by changes in the nucleoside sugar pucker. Comput Struct Biotechnol J, 19, 2021
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6DTQ
| Maltose bound T. maritima MalE3 | Descriptor: | MAGNESIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding protein MalE3 | Authors: | Cuneo, M.J, Shukla, S. | Deposit date: | 2018-06-18 | Release date: | 2018-09-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics. Biochemistry, 57, 2018
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