8K23
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8K24
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7Y8M
| 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
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7Y8O
| 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: | 2024-04-03 | 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
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7FJC
| Crystal structure of SARS-CoV-2 Beta RBD complexed with P36-5D2 Fab | Descriptor: | P36-5D2 heavy chain, P36-5D2 light chain, Spike protein S1, ... | Authors: | Zhang, L.Q, Wang, X.Q, Shan, S.S, Lan, J. | Deposit date: | 2021-08-03 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Crystal structure of SARS-CoV-2 Beta RBD complexed with P36-5D2 Fab To Be Published
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8K22
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8JU8
| de novo designed protein | Descriptor: | de novo designed protein | Authors: | Zhang, L. | Deposit date: | 2023-06-25 | Release date: | 2023-07-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | de novo designed Rossmann fold protein To Be Published
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8K27
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8K28
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8K29
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7Y8L
| 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
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7V40
| 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
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7V41
| 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
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7V44
| 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
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7V45
| 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
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7V43
| 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
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7V46
| 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
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7V42
| 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
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7Y8K
| 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
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7Y8N
| 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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7WOL
| Crystal structure of lipase TrLipB from Thermomocrobium roseum | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Zhang, L, Fang, Y, Shi, Y, Gu, Z, Xin, Y. | Deposit date: | 2022-01-21 | Release date: | 2023-01-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of lipase TrLipB from Thermomocrobium roseum To Be Published
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8K25
| Structure of Cas1-Cas2-dsDNA complex | Descriptor: | Cas1, DNA (5'-D(P*CP*AP*AP*TP*TP*TP*AP*AP*AP*TP*AP*GP*GP*GP*AP*AP*G)-3'), DNA (5'-D(P*TP*TP*CP*CP*CP*TP*AP*TP*TP*TP*AP*AP*AP*TP*TP*GP*C)-3'), ... | Authors: | Zhang, L.X, Feng, Y. | Deposit date: | 2023-07-12 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of Cas1-Cas2 complex bound dsDNA To Be Published
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8K26
| Structure of Cas1-Cas2 complex | Descriptor: | Cas1, HD Cas3-type domain-containing protein | Authors: | Zhang, L.X, Feng, Y. | Deposit date: | 2023-07-12 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure of csy complex with short DNA To Be Published
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8K21
| Cas1-Cas2-dsDNA subregion in ICP1 Csy-DNA-Cas1-2/3 complex | Descriptor: | Cas1, DNA (5'-D(*AP*TP*CP*TP*TP*CP*CP*CP*TP*AP*TP*TP*TP*AP*AP*AP*TP*TP*GP*CP*T)-3'), DNA (5'-D(P*AP*GP*CP*AP*AP*TP*TP*TP*AP*AP*AP*TP*AP*GP*GP*GP*AP*AP*GP*AP*T)-3'), ... | Authors: | Zhang, L.X, Feng, Y. | Deposit date: | 2023-07-12 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of csy complex with short DNA To Be Published
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7YDX
| Crystal structure of human RIPK1 kinase domain in complex with compound RI-962 | Descriptor: | 1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Zhang, L, Wang, Y, Li, Y, Wu, C, Luo, X, Wang, T, Lei, J, Yang, S. | Deposit date: | 2022-07-04 | Release date: | 2023-04-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.642 Å) | Cite: | Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor. Nat Commun, 13, 2022
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