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6LAA
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BU of 6laa by Molmil
Crystal structure of full-length CYP116B46 from Tepidiphilus thermophilus
Descriptor: 1,2-ETHANEDIOL, CARBONATE ION, Cytochrome P450, ...
Authors:Zhang, L.L, Ko, T.P, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-11-12
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.
Nat Commun, 11, 2020
7Y8O
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BU of 7y8o by Molmil
Structure of ScIRED-R3-V4 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
Descriptor: 2-[2,5-bis(fluoranyl)phenyl]pyrrolidine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SciR
Authors:Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T.
Deposit date:2022-06-24
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of ScIRED-R3-V4 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
to be published
6J8W
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BU of 6j8w by Molmil
Structure of MOEN5-SSO7D fusion protein in complex with lig 1
Descriptor: (2S)-3-dimethoxyphosphoryloxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid, MoeN5,DNA-binding protein 7d
Authors:Ko, T.P, Zhang, L.L, Chen, C.C, Guo, R.T.
Deposit date:2019-01-21
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Complex structures of MoeN5 with substrate analogues suggest sequential catalytic mechanism.
Biochem. Biophys. Res. Commun., 511, 2019
6J8V
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BU of 6j8v by Molmil
Structure of MOEN5-SSO7D fusion protein in complex with ligand 2
Descriptor: FARNESYL, MoeN5,DNA-binding protein 7d
Authors:Ko, T.P, Zhang, L.L, Chen, C.C, Guo, R.T.
Deposit date:2019-01-21
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Complex structures of MoeN5 with substrate analogues suggest sequential catalytic mechanism.
Biochem. Biophys. Res. Commun., 511, 2019
7Y9L
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BU of 7y9l by Molmil
Crystal structure of P450 BM3-2F from Bacillus megaterium in complex with 2-Hydroxy-5-Nitrobenzonitrile
Descriptor: 5-nitro-2-oxidanyl-benzenecarbonitrile, Bifunctional cytochrome P450/NADPH--P450 reductase, NICKEL (II) ION, ...
Authors:Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T.
Deposit date:2022-06-25
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of P450 BM3-2F from Bacillus megaterium in complex with 2-Hydroxy-5-Nitrobenzonitrile
to be published
7Y9M
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BU of 7y9m by Molmil
Crystal structure of P450 BM3-2F from Bacillus megaterium
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T.
Deposit date:2022-06-25
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of P450 BM3-2F from Bacillus megaterium
to be published
6LDL
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BU of 6ldl by Molmil
Crystal structure of CYP116B46-N(20-445) from Tepidiphilus thermophilus in complex with HEME
Descriptor: BICINE, Cytochrome P450, GLYCEROL, ...
Authors:Zhang, L.L, Xie, Z.Z, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-11-21
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.
Nat Commun, 11, 2020
7VQ9
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BU of 7vq9 by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl thiopyrophosphate and isopentyl S-thiolodiphosphate
Descriptor: 3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid, Di-trans-poly-cis-decaprenylcistransferase, MAGNESIUM ION, ...
Authors:Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
Deposit date:2021-10-19
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
7VQD
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BU of 7vqd by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl pyrophosphate and geranylgeranyl pyrophosphate.
Descriptor: Di-trans-poly-cis-decaprenylcistransferase, FARNESYL DIPHOSPHATE, NerylNeryl pyrophosphate, ...
Authors:Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
Deposit date:2021-10-19
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
7VQB
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BU of 7vqb by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl pyrophosphate and dimethylallyl diphosphate
Descriptor: DIMETHYLALLYL DIPHOSPHATE, Di-trans-poly-cis-decaprenylcistransferase, FARNESYL DIPHOSPHATE, ...
Authors:Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
Deposit date:2021-10-19
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
7VQC
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BU of 7vqc by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with pyrophosphate
Descriptor: Di-trans-poly-cis-decaprenylcistransferase, PYROPHOSPHATE 2-, SULFATE ION
Authors:Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
Deposit date:2021-10-19
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
7VQA
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BU of 7vqa by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with dimethylallyl diphosphate.
Descriptor: DIMETHYLALLYL DIPHOSPHATE, Di-trans-poly-cis-decaprenylcistransferase, MAGNESIUM ION, ...
Authors:Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
Deposit date:2021-10-19
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
7Y9G
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BU of 7y9g by Molmil
Crystal structure of diterpene synthase VenA from Streptomyces venezuelae ATCC 15439 in complex with pyrophosphate
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhang, L.L, Xie, Z.Z, Huang, J.-W, Hu, Y.C, Liu, W.D, Yang, Y, Chen, C.-C, Guo, R.-T.
Deposit date:2022-06-24
Release date:2023-06-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Molecular insights into the catalytic promiscuity of a bacterial diterpene synthase.
Nat Commun, 14, 2023
7Y9H
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BU of 7y9h by Molmil
Crystal structure of diterpene synthase VenA from Streptomyces venezuelae ATCC 15439
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Diterpene synthase VenA, ...
Authors:Zhang, L.L, Xie, Z.Z, Huang, J.-W, Hu, Y.C, Liu, W.D, Yang, Y, Chen, C.-C, Guo, R.-T.
Deposit date:2022-06-24
Release date:2023-06-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Molecular insights into the catalytic promiscuity of a bacterial diterpene synthase.
Nat Commun, 14, 2023
7Y8M
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BU of 7y8m by Molmil
Structure of ScIRED-R2-V3 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
Descriptor: 2-[2,5-bis(fluoranyl)phenyl]pyrrolidine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, reductase
Authors:Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T.
Deposit date:2022-06-24
Release date:2023-06-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Engineered Imine Reductase for Larotrectinib Intermediate Manufacture
Acs Catalysis, 12, 2022
7V44
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BU of 7v44 by Molmil
Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with meta-chlorotoluene.
Descriptor: 1-chloranyl-2-methyl-benzene, GLYCEROL, PHOSPHATE ION, ...
Authors:Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2021-08-12
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7V45
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BU of 7v45 by Molmil
Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with para-bromotoluene.
Descriptor: 1-bromanyl-4-methyl-benzene, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2021-08-12
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7V42
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BU of 7v42 by Molmil
Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with benzyl-alcohol.
Descriptor: PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, p450tol monooxygenase, ...
Authors:Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2021-08-12
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7V43
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BU of 7v43 by Molmil
Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with para-chlorotoluene.
Descriptor: 1-chloranyl-4-methyl-benzene, GLYCEROL, PHOSPHATE ION, ...
Authors:Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2021-08-12
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7V46
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BU of 7v46 by Molmil
Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with ortho-chlorotoluene.
Descriptor: 1-chloranyl-3-methyl-benzene, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2021-08-12
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7V40
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BU of 7v40 by Molmil
Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2
Descriptor: PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, p450tol monooxygenase
Authors:Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2021-08-12
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7V41
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BU of 7v41 by Molmil
Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with toluene.
Descriptor: PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, TOLUENE, ...
Authors:Zhang, L.L, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2021-08-12
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Molecular Basis for a Toluene Monooxygenase to Govern Substrate Selectivity
Acs Catalysis, 12, 2022
7Y8L
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BU of 7y8l by Molmil
Structure of ScIRED-R2-V3 from Streptomyces clavuligerus in complex with 5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
Descriptor: 5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T.
Deposit date:2022-06-24
Release date:2023-06-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Engineered Imine Reductase for Larotrectinib Intermediate Manufacture
Acs Catalysis, 12, 2022
7Y8K
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BU of 7y8k by Molmil
Structure of ScIRED wild-type from Streptomyces clavuligerus
Descriptor: Beta-hydroxyacid dehydrogenase, 3-hydroxyisobutyrate dehydrogenase
Authors:Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T.
Deposit date:2022-06-24
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Engineered Imine Reductase for Larotrectinib Intermediate Manufacture
Acs Catalysis, 12, 2022
7Y8N
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BU of 7y8n by Molmil
Structure of ScIRED-R3-V4 from Streptomyces clavuligerus in complex with 5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
Descriptor: 5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole, Beta-hydroxyacid dehydrogenase, 3-hydroxyisobutyrate dehydrogenase, ...
Authors:Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T.
Deposit date:2022-06-24
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Engineered Imine Reductase for Larotrectinib Intermediate Manufacture
Acs Catalysis, 12, 2022

 

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