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6XE8
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BU of 6xe8 by Molmil
Crystal Structure of the PTP1B YopH WPD loop Chimera 3 apo form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ...
Authors:Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C.
Deposit date:2020-06-12
Release date:2021-12-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022
6XED
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BU of 6xed by Molmil
Crystal Structure of the PTP1B YopH WPD loop Chimera 3 bound to tungstate
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ...
Authors:Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C.
Deposit date:2020-06-12
Release date:2021-12-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022
6XEG
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BU of 6xeg by Molmil
Crystal structure of the PTP1B YopH WPD loop Chimera 4 bound to tungstate
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ...
Authors:Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C.
Deposit date:2020-06-12
Release date:2021-12-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.549 Å)
Cite:Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022
5WL8
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BU of 5wl8 by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference (epR4)
Descriptor: Engineered Chalcone Isomerase epR4, FORMIC ACID
Authors:Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
Deposit date:2017-07-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WKR
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BU of 5wkr by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference complexed with naringenin (ancCC)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Engineered Chalcone Isomerase ancCC, ...
Authors:Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
Deposit date:2017-07-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WL4
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BU of 5wl4 by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference (ancR3)
Descriptor: Engineered Chalcone Isomerase ancR3, FORMIC ACID
Authors:Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
Deposit date:2017-07-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WL6
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BU of 5wl6 by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference (AncR7)
Descriptor: CHLORIDE ION, Engineered Chalcone Isomerase AncR7
Authors:Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
Deposit date:2017-07-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WL3
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BU of 5wl3 by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference (ancR2)
Descriptor: CHLORIDE ION, Engineered Chalcone Isomerase ancR2
Authors:Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
Deposit date:2017-07-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WKS
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BU of 5wks by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference complexed with naringenin (ancR1)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Engineered Chalcone Isomerase ancR1, FORMIC ACID, ...
Authors:Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
Deposit date:2017-07-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WL5
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BU of 5wl5 by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference (ancR5)
Descriptor: CHLORIDE ION, Engineered Chalcone Isomerase ancR5, SULFATE ION
Authors:Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
Deposit date:2017-07-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.513 Å)
Cite:Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WL7
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BU of 5wl7 by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference (ancCHI*)
Descriptor: CHLORIDE ION, Engineered Chalcone Isomerase ancCHI*
Authors:Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
Deposit date:2017-07-25
Release date:2018-05-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
6E8Y
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BU of 6e8y by Molmil
Unliganded Human Glycerol 3-Phosphate Dehydrogenase
Descriptor: 2,2-bis(hydroxymethyl)propane-1,3-diol, Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic, ...
Authors:Mydy, L.S, Gulick, A.M.
Deposit date:2018-07-31
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Human Glycerol 3-Phosphate Dehydrogenase: X-ray Crystal Structures That Guide the Interpretation of Mutagenesis Studies.
Biochemistry, 58, 2019
6E90
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BU of 6e90 by Molmil
Ternary complex of human glycerol 3-phosphate dehydrogenase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-DIHYDROXYACETONEPHOSPHATE, CALCIUM ION, ...
Authors:Mydy, L.S, Gulick, A.M.
Deposit date:2018-07-31
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Human Glycerol 3-Phosphate Dehydrogenase: X-ray Crystal Structures That Guide the Interpretation of Mutagenesis Studies.
Biochemistry, 58, 2019
6FG0
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BU of 6fg0 by Molmil
Crystal structure of R. ruber ADH-A, mutant Y54G, F43T, L119Y, F282W
Descriptor: Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M.
Deposit date:2018-01-09
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Stereo- and Regioselectivity in Catalyzed Transformation of a 1,2-Disubstituted Vicinal Diol and the Corresponding Diketone by Wild Type and Laboratory Evolved Alcohol Dehydrogenases
Acs Catalysis, 8, 2018
6GMU
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BU of 6gmu by Molmil
Serum paraoxonase-1 by directed evolution with the L69G/H134R/F222S/T332S mutations
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Ben-David, M, Sussman, J.L, Tawfik, D.S.
Deposit date:2018-05-28
Release date:2019-04-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition.
Mol.Biol.Evol., 37, 2020
6G0A
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BU of 6g0a by Molmil
The crystal structure of the Pol2 catalytic domain of DNA polymerase epsilon carrying a P301R substitution.
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*TP*AP*AP*CP*CP*GP*CP*GP*TP*TP*DC)-3'), ...
Authors:Parkash, V, Johansson, E.
Deposit date:2018-03-16
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural consequence of the most frequently recurring cancer-associated substitution in DNA polymerase epsilon.
Nat Commun, 10, 2019
6FWK
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BU of 6fwk by Molmil
The crystal structure of Pol2CORE-M644G in complex with DNA and an incoming nucleotide
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*TP*AP*AP*CP*CP*GP*CP*GP*TP*TP*(DOC))-3'), ...
Authors:Parkash, V, Johansson, E.
Deposit date:2018-03-06
Release date:2019-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Structural consequence of the most frequently recurring cancer-associated substitution in DNA polymerase epsilon.
Nat Commun, 10, 2019
6H0A
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BU of 6h0a by Molmil
Serum paraoxonase-1 by directed evolution with the L69G/H115W/H134R/F222S/T332S mutations
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, CALCIUM ION, ...
Authors:Ben-David, M, Sussman, J.L, Tawfik, D.S.
Deposit date:2018-07-07
Release date:2019-07-17
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition.
Mol.Biol.Evol., 37, 2020
6G82
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BU of 6g82 by Molmil
Serum paraoxonase-1 by directed evolution with the L69S/H115W/F222S mutations
Descriptor: CALCIUM ION, Serum paraoxonase-1 by directed evolution with the L69S/H115W/F222S mutations
Authors:Ben-David, M, Sussman, J.L, Tawfik, D.S.
Deposit date:2018-04-07
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition.
Mol.Biol.Evol., 37, 2020
6C8B
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BU of 6c8b by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 23 round 6
Descriptor: Kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-01-24
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6C7T
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BU of 6c7t by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 20 round 5
Descriptor: Kemp Eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-01-23
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6CAI
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BU of 6cai by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 24 round 7
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Kemp Eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-01-30
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6CT3
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BU of 6ct3 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 27 round 7-2
Descriptor: 5-nitro-2-oxidanyl-benzenecarbonitrile, GLYCEROL, Kemp eliminase, ...
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-03-22
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6C7H
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BU of 6c7h by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 18 Design Trp50Ala mutant
Descriptor: Kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-01-22
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6C7M
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BU of 6c7m by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 19 round 5
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Kemp Eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-01-22
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018

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