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4WOQ
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BU of 4woq by Molmil
Crystal Structures of CdNal from Clostridium difficile in complex with ketobutyric
Descriptor: 2-KETOBUTYRIC ACID, N-acetylneuraminate lyase
Authors:Liu, W.D, Guo, R.T, Cui, Y.F, Chen, X, Wu, Q.Q, Zhu, D.M.
Deposit date:2014-10-16
Release date:2015-10-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures of CdNal from Clostridium difficile in complex with ketobutyric
to be published
4WOZ
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BU of 4woz by Molmil
Crystal Structures of CdNal from Clostridium difficile in complex with mannosamine
Descriptor: 2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE, N-acetylneuraminate lyase
Authors:Liu, W.D, Guo, R.T, Cui, Y.F, Chen, X, Wu, Q.Q, Zhu, D.M.
Deposit date:2014-10-17
Release date:2015-10-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structures of CdNal from Clostridium difficile in complex with mannosamine
to be published
3WGQ
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BU of 3wgq by Molmil
Crystal structure of meso-dapdh Q154L/T173I/R199M/P248S/H249N/N276S mutant with DAP of from Clostridium tetani E88
Descriptor: 2,6-DIAMINOPIMELIC ACID, Meso-diaminopimelate dehydrogenase
Authors:Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
Deposit date:2013-08-07
Release date:2014-08-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of meso-dapdh Q154L/T173I/R199M/P248S/H249N/N276S mutant with DAP of from Clostridium tetani E88
To be Published
3WGZ
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BU of 3wgz by Molmil
Crystal structure of meso-dapdh Q154L/T173I/R199M/P248S/H249N/N276S mutant with D-leucine of from Clostridium tetani E88
Descriptor: D-LEUCINE, Meso-diaminopimelate dehydrogenase
Authors:Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
Deposit date:2013-08-20
Release date:2014-08-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of meso-dapdh Q154L/T173I/R199M/P248S/H249N/N276S mutant with D-leucine of from Clostridium tetani E88
to be published
3WGO
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BU of 3wgo by Molmil
Crystal structure of Q154L/T173I/R199M/P248S/H249/N276S mutant of meso-dapdh from Clostridium tetani E88
Descriptor: Meso-diaminopimelate dehydrogenase
Authors:Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
Deposit date:2013-08-06
Release date:2014-08-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of Q154L/T173I/R199M/P248S/H249 mutant of meso-dapdh from Clostridium tetani E88
To be Published
3WGY
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BU of 3wgy by Molmil
Crystal structure of meso-dapdh Q154L/T173I/R199M/P248S/H249N/N276S mutant with 4-methyl-2-oxovalerate of from Clostridium tetani E88
Descriptor: 2-OXO-4-METHYLPENTANOIC ACID, Meso-diaminopimelate dehydrogenase
Authors:Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
Deposit date:2013-08-19
Release date:2014-08-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of meso-dapdh Q154L/T173I/R199M/P248S/H249N/N276S mutant with 4-methyl-2-oxovalerate of from Clostridium tetani E88
to be published
5DBG
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BU of 5dbg by Molmil
Crystal Structure of Iridoid Synthase from Cantharanthus roseus in complex with NAD+
Descriptor: Iridoid synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Liu, W.D, Hu, Y.M, Zheng, Y.Y, Xu, Z.X, Ko, T.P, Chen, C.C, Guo, R.T.
Deposit date:2015-08-21
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms
Angew.Chem.Int.Ed.Engl., 54, 2015
5CUX
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BU of 5cux by Molmil
Crystal structure of N-terminal domain truncated Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in complex with PPi
Descriptor: Acidocalcisomal pyrophosphatase, PHOSPHATE ION, PYROPHOSPHATE 2-
Authors:Liu, W.D, Yang, Y.Y, Ko, T.P, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2015-07-25
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of Trypanosoma cruzi protein in complex with ligand
Acs Chem.Biol., 2016
5CUU
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BU of 5cuu by Molmil
Crystal structure of Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in complex with bisphosphonate inhibitor BPH-1260
Descriptor: 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium, Acidocalcisomal pyrophosphatase, D-MALATE, ...
Authors:Liu, W.D, Yang, Y.Y, Ko, T.P, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2015-07-25
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Crystal structure of Trypanosoma cruzi protein in complex with ligand
Acs Chem.Biol., 2016
7BV3
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BU of 7bv3 by Molmil
Crystal structure of a ugt transferase from Siraitia grosvenorii in complex with UDP
Descriptor: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Li, J, Shan, N, Yang, J.G, Liu, W.D, Sun, Y.X.
Deposit date:2020-04-09
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Near-perfect control of the regioselective glucosylation enabled by rational design of glycosyltransferases
Green Synth Catal, 2021
5IE7
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BU of 5ie7 by Molmil
Crystal structure of a lactonase double mutant in complex with substrate b
Descriptor: (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
Authors:Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2016-02-25
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
5IE6
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BU of 5ie6 by Molmil
Crystal structure of a lactonase mutant in complex with substrate b
Descriptor: (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
Authors:Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2016-02-25
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
5IE5
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BU of 5ie5 by Molmil
Crystal structure of a lactonase double mutant in complex with substrate a
Descriptor: (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
Authors:Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2016-02-25
Release date:2017-01-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
5IE4
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BU of 5ie4 by Molmil
Crystal structure of a lactonase mutant in complex with substrate a
Descriptor: (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
Authors:Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2016-02-25
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
5HC7
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BU of 5hc7 by Molmil
Crystal structure of lavandulyl diphosphate synthase from Lavandula x intermedia in complex with S-thiolo-isopentenyldiphosphate
Descriptor: DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, prenyltransference for protein
Authors:Liu, M.X, Liu, W.D, Gao, J, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2016-01-04
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure and Function of a "Head-to-Middle" Prenyltransferase: Lavandulyl Diphosphate Synthase
Angew.Chem.Int.Ed.Engl., 55, 2016
5HC6
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BU of 5hc6 by Molmil
Crystal structure of lavandulyl diphosphate synthase from Lavandula x intermedia in apo form
Descriptor: SULFATE ION, prenyltransference for protein
Authors:Liu, M.X, Liu, W.D, Gao, J, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2016-01-04
Release date:2016-03-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure and Function of a "Head-to-Middle" Prenyltransferase: Lavandulyl Diphosphate Synthase
Angew.Chem.Int.Ed.Engl., 55, 2016
5HC8
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BU of 5hc8 by Molmil
Crystal structure of lavandulyl diphosphate synthase from Lavandula x intermedia in complex with dimethylallyl diphosphate
Descriptor: 2-methylbuta-1,3-diene, 3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid, MAGNESIUM ION, ...
Authors:Liu, M.X, Liu, W.D, Gao, J, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2016-01-04
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure and Function of a "Head-to-Middle" Prenyltransferase: Lavandulyl Diphosphate Synthase
Angew.Chem.Int.Ed.Engl., 55, 2016
5IYS
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BU of 5iys by Molmil
Crystal structure of a dehydrosqualene synthase in complex with ligand
Descriptor: MAGNESIUM ION, Phytoene synthase, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ...
Authors:Liu, G.Z, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2016-03-24
Release date:2017-03-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of a dehydrosqualene synthase in complex with ligand
to be published
5DBF
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BU of 5dbf by Molmil
Crystal Structure of Iridoid Synthase from Cantharanthus roseus in complex with NADPH
Descriptor: Iridoid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hu, Y.M, Liu, W.D, Zheng, Y.Y, Xu, Z.X, Ko, T.P, Chen, C.C, Guo, R.T.
Deposit date:2015-08-21
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms
Angew.Chem.Int.Ed.Engl., 54, 2015
5DBI
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BU of 5dbi by Molmil
Crystal Structure of Iridoid Synthase from Cantharanthus roseus in complex with NAD+ and 10-oxogeranial
Descriptor: (2E,6E)-2,6-dimethylocta-2,6-dienedial, Iridoid synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hu, Y.M, Liu, W.D, Zheng, Y.Y, Xu, Z.X, Ko, T.P, Chen, C.C, Guo, R.T.
Deposit date:2015-08-21
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms
Angew.Chem.Int.Ed.Engl., 54, 2015
5CUV
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BU of 5cuv by Molmil
Crystal structure of Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in apo form
Descriptor: Acidocalcisomal pyrophosphatase, D-MALATE, MAGNESIUM ION
Authors:Ko, T.P, Yang, Y.Y, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2015-07-25
Release date:2016-03-02
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Crystal structure of Trypanosoma cruzi protein in complex with ligand
Acs Chem.Biol., 2016
5CUY
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BU of 5cuy by Molmil
Crystal structure of Trypanosoma brucei Vacuolar Soluble Pyrophosphatases in apo form
Descriptor: Acidocalcisomal pyrophosphatase, CITRIC ACID, MAGNESIUM ION
Authors:Yang, Y.Y, Ko, T.P, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2015-07-25
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Trypanosoma cruzi protein in complex with ligand
Acs Chem.Biol., 2016
6KY5
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BU of 6ky5 by Molmil
Crystal structure of a hydrolase mutant
Descriptor: PET hydrolase, SULFATE ION
Authors:Cui, Y.L, Chen, Y.C, Liu, X.Y, Dong, S.J, Han, J, Xiang, H, Chen, Q, Liu, H.Y, Han, X, Liu, W.D, Tang, S.Y, Wu, B.
Deposit date:2019-09-16
Release date:2020-09-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:Computational redesign of PETase for plasticbiodegradation by GRAPE strategy.
Biorxiv, 2020
5GM9
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BU of 5gm9 by Molmil
Crystal structure of a glycoside hydrolase in complex with cellobiose
Descriptor: Glycoside hydrolase family 45 protein, beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Gao, J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2016-07-13
Release date:2017-04-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Characterization and crystal structure of a thermostable glycoside hydrolase family 45 1,4-beta-endoglucanase from Thielavia terrestris
Enzyme Microb. Technol., 99, 2017
5GLY
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BU of 5gly by Molmil
Crystal structure of a glycoside hydrolase in complex with cellotetrose from Thielavia terrestris NRRL 8126
Descriptor: Glycoside hydrolase family 45 protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Gao, J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2016-07-12
Release date:2017-04-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Characterization and crystal structure of a thermostable glycoside hydrolase family 45 1,4-beta-endoglucanase from Thielavia terrestris
Enzyme Microb. Technol., 99, 2017

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