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7BWP
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BU of 7bwp by Molmil
Crystal complex of endo-deglycosylated PcHNL5 with (R)-mandelonitrile
Descriptor: (2R)-hydroxy(phenyl)ethanenitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Zheng, Y.C, Li, F.L, Yu, H.L, Xu, J.H.
Deposit date:2020-04-15
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Structure-Guided Tuning of a Hydroxynitrile Lyase to Accept Rigid Pharmaco Aldehydes.
Acs Catalysis, 2020
7CG2
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BU of 7cg2 by Molmil
Vigna radiata Epoxide hydrolase mutant
Descriptor: Epoxide hydrolase
Authors:Li, F.L, Yu, H.L, Xu, J.H.
Deposit date:2020-06-30
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Reprogramming Epoxide Hydrolase to Improve Enantioconvergence in Hydrolysis of Styrene Oxide Scaffolds
Adv.Synth.Catal., 362, 2021
7CG6
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BU of 7cg6 by Molmil
Vigna radiata Epoxide hydrolase mutant M263Q
Descriptor: Epoxide hydrolase
Authors:Li, F.L, Yu, H.L, Xu, J.H.
Deposit date:2020-06-30
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reprogramming Epoxide Hydrolase to Improve Enantioconvergence in Hydrolysis of Styrene Oxide Scaffolds
Adv.Synth.Catal., 362, 2021
6JBY
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BU of 6jby by Molmil
Crystal structure of endo-deglycosylated hydroxynitrile lyase isozyme 5 of Prunus communis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Zheng, Y.C, Li, F.L, Yu, H.L, Xu, J.H.
Deposit date:2019-01-27
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Guided Tuning of a Hydroxynitrile Lyase to Accept Rigid Pharmaco Aldehydes.
Acs Catalysis, 2020
7XDU
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BU of 7xdu by Molmil
TtherAmDH-NAD+
Descriptor: 4-hydroxy-tetrahydrodipicolinate reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Chen, C, Qian, Y.Y, Pan, J, Bai, Y.P, Xu, J.H.
Deposit date:2022-03-28
Release date:2023-04-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Stereoselective synthesis of chiral lactams via an engineered natural amine dehydrogenase.
To Be Published
7XWU
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BU of 7xwu by Molmil
Ketoreductase CpKR mutant - M1
Descriptor: DI(HYDROXYETHYL)ETHER, Epimerase domain-containing protein, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Chen, C, Zheng, Y.C, Pan, J, Xu, J.H.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Computational Redesign of a robust Ketoreductase for Asymmetric Synthesis of Enantiopure diltiazem precursor.
To Be Published
7Y0K
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BU of 7y0k by Molmil
Crystal structure of CpKR in complex with NADPH complex from Candida parapsilosis
Descriptor: Epimerase domain-containing protein, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Chen, C, Pan, J, Xu, J.H.
Deposit date:2022-06-05
Release date:2023-06-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Computational Redesign of a robust Ketoreductase for Asymmetric Synthesis of Enantiopure diltiazem precursor.
To Be Published
8HM3
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BU of 8hm3 by Molmil
Complex of PPIase-BfUbb
Descriptor: GLYCEROL, MAGNESIUM ION, Peptidylprolyl isomerase, ...
Authors:Xu, J.H, Chen, Z, Gao, X.
Deposit date:2022-12-02
Release date:2023-11-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome.
Nat Microbiol, 9, 2024
8HM4
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BU of 8hm4 by Molmil
Crystal structure of PPIase
Descriptor: Peptidylprolyl isomerase
Authors:Xu, J.H, Chen, Z, Gao, X.
Deposit date:2022-12-02
Release date:2023-11-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.79 Å)
Cite:Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome.
Nat Microbiol, 9, 2024
7FEC
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BU of 7fec by Molmil
Cryo-EM structure of the nonameric SsaV cytosolic domain with C9 symmetry
Descriptor: Secretion system apparatus protein SsaV
Authors:Xu, J.H, Zhang, Y.Q, Gao, X.
Deposit date:2021-07-19
Release date:2022-02-16
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structural and Functional Analysis of SsaV Cytoplasmic Domain and Variable Linker States in the Context of the InvA-SsaV Chimeric Protein.
Microbiol Spectr, 9, 2021
7FED
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BU of 7fed by Molmil
Cryo-EM structure of the nonameric SsaV cytosolic domain with D9 symmetry
Descriptor: Secretion system apparatus protein SsaV
Authors:Xu, J.H, Zhang, Y.Q, Gao, X.
Deposit date:2021-07-19
Release date:2022-02-16
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Structural and Functional Analysis of SsaV Cytoplasmic Domain and Variable Linker States in the Context of the InvA-SsaV Chimeric Protein.
Microbiol Spectr, 9, 2021
7FEB
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BU of 7feb by Molmil
Cryo-EM structure of the nonameric SsaV cytosolic domain in the context of the InvA-SsaV chimeric protein
Descriptor: Secretion system apparatus protein SsaV
Authors:Xu, J.H, Zhang, Y.Q, Gao, X.
Deposit date:2021-07-19
Release date:2022-02-16
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.11 Å)
Cite:Structural and Functional Analysis of SsaV Cytoplasmic Domain and Variable Linker States in the Context of the InvA-SsaV Chimeric Protein.
Microbiol Spectr, 9, 2021
7DJS
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BU of 7djs by Molmil
Crystal structure of isopiperitenol dehydrogenase from Pseudomonas aeruginosa complexed with NAD
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SDR family oxidoreductase
Authors:Zhan, J.R, Zheng, Y.C.
Deposit date:2020-11-21
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Engineering of Bacterial (-)-Isopiperitenol Dehydrogenases to Enhance (-)-Menthol Precursor Biosynthesis.
Adv.Synth.Catal., 363, 2021
6LR8
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BU of 6lr8 by Molmil
Mutant L331A of deglycosylated hydroxynitrile lyase isozyme 5 from Prunus communis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Zheng, Y.-C, Xu, J.-H.
Deposit date:2020-01-15
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.595 Å)
Cite:Structure-Guided Tuning of a Hydroxynitrile Lyase to Accept Rigid Pharmaco Aldehydes.
Acs Catalysis, 2020
4HFF
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BU of 4hff by Molmil
Crystal structure of the type VI effector-immunity complex Tae4-Tai4 from Salmonella Typhimurium
Descriptor: Putative cytoplasmic protein, Putative periplasmic protein
Authors:Zhang, H, Gao, Z.Q, Dong, Y.H.
Deposit date:2012-10-05
Release date:2013-01-16
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:Structure of the type VI effector-immunity complex (Tae4-Tai4) provides novel insights into the inhibition mechanism of the effector by its immunity protein
J.Biol.Chem., 288, 2013
4JUR
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BU of 4jur by Molmil
Crystal structure of the effector Tae4 from Salmonella typhimurium in complex with the immunity Tai4 from Enterobacter cloacae
Descriptor: Putative cytoplasmic protein, Uncharacterized protein
Authors:Zhang, H, Gao, Z.Q, Dong, Y.H.
Deposit date:2013-03-25
Release date:2014-02-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights into the cross-immunity mechanism within effector families of bacteria type VI secretion system from the structure of StTae4-EcTai4 complex
Plos One, 8, 2013
4HFL
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BU of 4hfl by Molmil
Crystal structure of the type VI effector Tae4 from Enterobacter cloacae
Descriptor: Putative cytoplasmic protein
Authors:Zhang, H, Gao, Z.Q, Dong, Y.H.
Deposit date:2012-10-05
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Structure of the type VI effector-immunity complex (Tae4-Tai4) provides novel insights into the inhibition mechanism of the effector by its immunity protein.
J.Biol.Chem., 288, 2013
4HFK
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BU of 4hfk by Molmil
Crystal structure of the type VI effector-immunity complex Tae4-Tai4 from Enterobacter cloacae
Descriptor: Putative cytoplasmic protein, Putative uncharacterized protein, SULFATE ION
Authors:Zhang, H, Gao, Z.Q, Dong, Y.H.
Deposit date:2012-10-05
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the type VI effector-immunity complex (Tae4-Tai4) provides novel insights into the inhibition mechanism of the effector by its immunity protein.
J.Biol.Chem., 288, 2013
8J3O
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BU of 8j3o by Molmil
Formate dehydrogenase wild-type enzyme from Candida dubliniensis complexed with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Formate dehydrogenase, MAGNESIUM ION
Authors:Ma, W, Zheng, Y.C, Geng, Q, Chen, C.
Deposit date:2023-04-17
Release date:2023-09-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Engineering a Formate Dehydrogenase for NADPH Regeneration.
Chembiochem, 24, 2023
3DEZ
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BU of 3dez by Molmil
Crystal structure of Orotate phosphoribosyltransferase from Streptococcus mutans
Descriptor: Orotate phosphoribosyltransferase, SULFATE ION
Authors:Liu, C.P, Gao, Z.Q, Hou, H.F, Li, L.F, Su, X.D, Dong, Y.H.
Deposit date:2008-06-11
Release date:2009-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of orotate phosphoribosyltransferase from the caries pathogen Streptococcus mutans
Acta Crystallogr.,Sect.F, 66, 2010
5YQT
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BU of 5yqt by Molmil
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide
Descriptor: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase
Authors:Kong, X.D, Sun, Z.T, Wu, L, Reetz, M.T, Zhou, J.H, Xu, J.H.
Deposit date:2017-11-07
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018
5XMG
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BU of 5xmg by Molmil
Crystal structure of PA3488 from Pseudomonas aeruginosa
Descriptor: Uncharacterized protein
Authors:She, Z, Gao, Z.Q.
Deposit date:2017-05-15
Release date:2018-05-16
Last modified:2018-12-12
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and SAXS analysis of Tle5-Tli5 complex reveals a novel inhibition mechanism of H2-T6SS in Pseudomonas aeruginosa.
Protein Sci., 26, 2017
5JKP
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BU of 5jkp by Molmil
Crystal structure of immunity protein Pa5087 from Pseudomonas aeruginosa
Descriptor: Uncharacterized protein
Authors:Li, Z.Q, Gao, Z.Q, She, Z, Dong, Y.H.
Deposit date:2016-04-26
Release date:2016-08-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.106 Å)
Cite:Structural analysis of Pseudomonas aeruginosa H3-T6SS immunity proteins
Febs Lett., 590, 2016
5JJO
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BU of 5jjo by Molmil
The crystal structure of immunity protein PA5088 from Pseudomonas aeruginosa
Descriptor: GOLD ION, Uncharacterized protein
Authors:Li, Z.Q, Gao, Z.Q, She, Z, Dong, Y.H.
Deposit date:2016-04-24
Release date:2016-08-31
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Structural analysis of Pseudomonas aeruginosa H3-T6SS immunity proteins
Febs Lett., 590, 2016
2HCU
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BU of 2hcu by Molmil
Crystal Structure Of Smu.1381 (or LeuD) from Streptococcus Mutans
Descriptor: 3-isopropylmalate dehydratase small subunit, SULFATE ION
Authors:Gao, Z.Q, Hou, H.F, Li, L.F, Liang, Y.H, Su, X.D, Dong, Y.H.
Deposit date:2006-06-19
Release date:2006-07-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure Of Smu.1381 (or LeuD) from Streptococcus Mutans
To be Published

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