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5TOR
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BU of 5tor by Molmil
Crystal structure of AAT D222T mutant
Descriptor: Aspartate aminotransferase, cytoplasmic
Authors:Mueser, T.C, Dajnowicz, S, Kovalevsky, A.
Deposit date:2016-10-18
Release date:2017-03-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Direct evidence that an extended hydrogen-bonding network influences activation of pyridoxal 5'-phosphate in aspartate aminotransferase.
J. Biol. Chem., 292, 2017
5TOT
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BU of 5tot by Molmil
Crystal structure of AAT H143L:H189L double mutant
Descriptor: Aspartate aminotransferase, cytoplasmic
Authors:Mueser, T.C, Dajnowicz, S, Kovalevsky, A.
Deposit date:2016-10-18
Release date:2017-03-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Direct evidence that an extended hydrogen-bonding network influences activation of pyridoxal 5'-phosphate in aspartate aminotransferase.
J. Biol. Chem., 292, 2017
7D49
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BU of 7d49 by Molmil
X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wan, Q, Dealwis, C.
Deposit date:2020-09-23
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis
Acs Catalysis, 11, 2021
7D3Z
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BU of 7d3z by Molmil
X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wan, Q, Dealwis, C.
Deposit date:2020-09-21
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis
Acs Catalysis, 11, 2021
7D4L
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BU of 7d4l by Molmil
X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH7.0
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Wan, Q, Dealwis, C.
Deposit date:2020-09-24
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis
Acs Catalysis, 11, 2021
7D4X
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BU of 7d4x by Molmil
X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH7.0
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wan, Q, Dealwis, C.
Deposit date:2020-09-24
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis
Acs Catalysis, 11, 2021
7D6G
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BU of 7d6g by Molmil
Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Wan, Q, Dealwis, C.
Deposit date:2020-09-30
Release date:2021-06-09
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.65 Å), X-RAY DIFFRACTION
Cite:Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis
Acs Catalysis, 11, 2021
7EO6
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BU of 7eo6 by Molmil
X-ray structure analysis of xylanase
Descriptor: Endo-1,4-beta-xylanase, IODIDE ION
Authors:Wan, Q, Yi, Y, Xu, S.
Deposit date:2021-04-21
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization and structural analysis of a thermophilic GH11 xylanase from compost metatranscriptome.
Appl.Microbiol.Biotechnol., 105, 2021
7N6X
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BU of 7n6x by Molmil
Crystal structure of HIV-1 Protease multiple mutants PRS17 bound to inhibitor Amprenavir
Descriptor: Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:Burnaman, S.H, Wang, Y.-F, Weber, I.T.
Deposit date:2021-06-09
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Revertant mutation V48G alters conformational dynamics of highly drug resistant HIV protease PRS17.
J.Mol.Graph.Model., 108, 2021
7N6T
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BU of 7n6t by Molmil
Crystal structure of inhibitor-free HIV-1 PRS17 revertant mutant PRS17 V48G
Descriptor: Protease
Authors:Burnaman, S.H, Wang, Y.-F, Weber, I.T.
Deposit date:2021-06-09
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Revertant mutation V48G alters conformational dynamics of highly drug resistant HIV protease PRS17.
J.Mol.Graph.Model., 108, 2021
7N6V
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BU of 7n6v by Molmil
Crystal structure of HIV-1 Protease multiple mutants PRS17 with Revertant mutation V48G bound to inhibitor Amprenavir
Descriptor: GLYCEROL, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:Burnaman, S.H, Wang, Y.-F, Weber, I.T.
Deposit date:2021-06-09
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Revertant mutation V48G alters conformational dynamics of highly drug resistant HIV protease PRS17.
J.Mol.Graph.Model., 108, 2021
7EO3
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BU of 7eo3 by Molmil
X-ray structure analysis of beita-1,3-glucanase
Descriptor: 1,3-beta-glucanase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION
Authors:Wan, Q, Feng, J, Xu, S.
Deposit date:2021-04-21
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.141 Å)
Cite:Identification and structural analysis of a thermophilic beta-1,3-glucanase from compost
Bioresour Bioprocess, 8, 2021
5TON
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BU of 5ton by Molmil
Crystal structure of AAT H143L mutant
Descriptor: Aspartate aminotransferase, cytoplasmic
Authors:Mueser, T.C, Dajnowicz, S, Kovalevsky, A.
Deposit date:2016-10-18
Release date:2017-03-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Direct evidence that an extended hydrogen-bonding network influences activation of pyridoxal 5'-phosphate in aspartate aminotransferase.
J. Biol. Chem., 292, 2017
4QDW
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BU of 4qdw by Molmil
Joint X-ray and neutron structure of Streptomyces rubiginosus D-xylose isomerase in complex with two Ni2+ ions and linear L-arabinose
Descriptor: L-arabinose, NICKEL (II) ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2014-05-14
Release date:2014-09-03
Last modified:2024-02-28
Method:NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QE5
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BU of 4qe5 by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Mg2+ ions and L-ribulose
Descriptor: MAGNESIUM ION, Xylose isomerase, alpha-L-ribulofuranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2014-05-15
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QE4
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BU of 4qe4 by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Ni2+ ions and L-ribulose
Descriptor: NICKEL (II) ION, Xylose isomerase, beta-L-ribulofuranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2014-05-15
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4PDJ
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BU of 4pdj by Molmil
Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+
Descriptor: DIHYDROFOLIC ACID, Dihydrofolate reductase, MANGANESE (II) ION, ...
Authors:Wan, Q, Kovalevsky, A.Y, Wilson, M, Langan, P, Dealwis, C, Bennett, B.
Deposit date:2014-04-18
Release date:2015-04-15
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.599 Å), X-RAY DIFFRACTION
Cite:Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QEE
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BU of 4qee by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Ni2+ ions and L-ribose
Descriptor: NICKEL (II) ION, Xylose isomerase, alpha-L-ribofuranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2014-05-15
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QEH
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BU of 4qeh by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Mg2+ ions and L-ribose
Descriptor: MAGNESIUM ION, Xylose isomerase, beta-L-ribofuranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2014-05-16
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QDP
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BU of 4qdp by Molmil
Joint X-ray and neutron structure of Streptomyces rubiginosus D-xylose isomerase in complex with two Cd2+ ions and cyclic beta-L-arabinose
Descriptor: CADMIUM ION, Xylose isomerase, beta-L-arabinopyranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2014-05-14
Release date:2014-09-03
Last modified:2024-02-28
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QE1
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BU of 4qe1 by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Cd2+ ions and L-ribulose
Descriptor: CADMIUM ION, Xylose isomerase, alpha-L-ribulofuranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2014-05-15
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
7T2V
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BU of 7t2v by Molmil
SARS CoV2 Mpro C145S mutant
Descriptor: 3C-Like Protease
Authors:Mathews, I.I, Hameedi, M.A, Wakatsuki, S.
Deposit date:2021-12-06
Release date:2022-09-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro.
Nat Commun, 13, 2022
7T2T
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BU of 7t2t by Molmil
SARS-CoV2 Mpro native form
Descriptor: 3C-like proteinase
Authors:Mathews, I.I, Hameedi, M.A, Wakatsuki, S.
Deposit date:2021-12-06
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro.
Nat Commun, 13, 2022
7T2U
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BU of 7t2u by Molmil
SARS-CoV2 3C-Like protease complexed with Nemo peptide
Descriptor: 3C-Like Protease, NEMO peptide
Authors:Wakatsuki, S, Mathews, I.I, Hameedi, M.A.
Deposit date:2021-12-06
Release date:2022-09-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro.
Nat Commun, 13, 2022
7TWO
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BU of 7two by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain at pH 6 (P43 crystal form)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CITRIC ACID, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-02-07
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and x-ray diffraction at room temperature.
Sci Adv, 8, 2022

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