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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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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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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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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7BIP
 | | Crystal structure of monooxygenase RslO1 from Streptomyces bottropensis | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Zhang, L, Zuo, C, Bechthold, A, Einsle, O. | | Deposit date: | 2021-01-12 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Biosynthesis of the Tricyclic Aromatic Type II Polyketide Rishirilide: New Potential Third Ring Oxygenation after Three Cyclization Steps.
Mol Biotechnol., 63, 2021
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7BIO
 | | Crystal structure of monooxygenase RslO4 from Streptomyces bottropensis | | Descriptor: | ACETATE ION, ETHANOL, Monooxygenase/putative anthronoxygenase, ... | | Authors: | Zhang, L, Zuo, C, Alali, A, Bechthold, A, Einsle, O. | | Deposit date: | 2021-01-12 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.795 Å) | | Cite: | Biosynthesis of the Tricyclic Aromatic Type II Polyketide Rishirilide: New Potential Third Ring Oxygenation after Three Cyclization Steps.
Mol Biotechnol., 63, 2021
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7XMK
 | | Crystal structure of human RIPK1 kinase domain in complex with compound SKLB923 | | Descriptor: | 5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Zhang, L, Wang, Y, Li, Y, Yang, S. | | Deposit date: | 2022-04-26 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.376 Å) | | Cite: | From Hit to Lead: Structure-Based Optimization of Novel Selective Inhibitors of Receptor-Interacting Protein Kinase 1 (RIPK1) for the Treatment of Inflammatory Diseases.
J.Med.Chem., 67, 2024
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7VTY
 | | de novo designed protein | | Descriptor: | de novo designed protein | | Authors: | Zhang, L. | | Deposit date: | 2021-10-31 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
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7VQV
 | | de novo design based on 1r26 | | Descriptor: | GLYCEROL, de novo designed protein | | Authors: | Zhang, L. | | Deposit date: | 2021-10-20 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
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7VU4
 | | de novo design based on 1r26 | | Descriptor: | de novo design protein | | Authors: | Zhang, L. | | Deposit date: | 2021-11-01 | | Release date: | 2022-06-08 | | Last modified: | 2023-06-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
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7VQL
 | | de novo designed based on 1r26 | | Descriptor: | AMMONIUM ION, GLYCEROL, de novo designed protein | | Authors: | Zhang, L. | | Deposit date: | 2021-10-20 | | Release date: | 2022-06-08 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
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7VQW
 | | de novo designed protein based on 1r26 | | Descriptor: | de novo designed protein | | Authors: | Zhang, L. | | Deposit date: | 2021-10-20 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
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4XGA
 | | Crystal structure of BamB and BamA P3-5 complex from E.coli | | Descriptor: | CALCIUM ION, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB | | Authors: | Chen, Z, Zhan, L.H, Dong, C, Gao, Z.Q, Dong, Y.H. | | Deposit date: | 2014-12-30 | | Release date: | 2016-01-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural basis for the interaction of BamB with the POTRA3-4 domains of BamA.
Acta Crystallogr D Struct Biol, 72, 2016
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9J4I
 | | Crystal structure of GH9l Inulin fructotransferases (IFTase) in compex with fruetosyl nystose (GF4) | | Descriptor: | DFA-III-forming inulin fructotransferase, beta-D-fructofuranose-(2-1)-beta-D-fructofuranose-(2-1)-[alpha-D-glucopyranose-(1-2)]beta-D-fructofuranose, beta-D-fructofuranose-(2-1)-beta-D-fructofuranose-(2-1)-beta-D-fructofuranose-(2-1)-[alpha-D-glucopyranose-(1-2)]beta-D-fructofuranose | | Authors: | Chen, G, Wang, Z.X, Yang, Y.Q, Li, Y.G, Zhang, T, Ouyang, S.Y, Zhang, L, Chen, Y, Ruan, X.L, Miao, M. | | Deposit date: | 2024-08-09 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Elucidation of the mechanism underlying the sequential catalysis of inulin by fructotransferase.
Int.J.Biol.Macromol., 277, 2024
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9J4K
 | | Crystal structure of GH9l Inulinfructotransferases (IFTase) in complex with GF2 | | Descriptor: | DFA-III-forming inulin fructotransferase, beta-D-fructofuranose-(2-1)-beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | | Authors: | Chen, G, Wang, Z.X, Yang, Y.Q, Li, Y.G, Zhang, T, Ouyang, S.Y, Zhang, L, Chen, Y, Ruan, X.L, Miao, M. | | Deposit date: | 2024-08-09 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Elucidation of the mechanism underlying the sequential catalysis of inulin by fructotransferase.
Int.J.Biol.Macromol., 277, 2024
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9J4J
 | | Crystal structure of GH9l Inulin fructotransferases(IFTase)incomplex with nystose(F3) | | Descriptor: | DFA-III-forming inulin fructotransferase, beta-D-fructofuranose, beta-D-fructofuranose-(1-1)-beta-D-fructofuranose, ... | | Authors: | Chen, G, Wang, Z.X, Yang, Y.Q, Li, Y.G, Zhang, T, Ouyang, S.Y, Zhang, L, Chen, Y, Ruan, X.L, Miao, M. | | Deposit date: | 2024-08-09 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.803 Å) | | Cite: | Elucidation of the mechanism underlying the sequential catalysis of inulin by fructotransferase.
Int.J.Biol.Macromol., 277, 2024
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8W6Z
 | | Substrate-bound crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins | | Descriptor: | (E)-3-[2-[(2R,3S)-3-[(1R)-1-aminocarbonyloxypropyl]oxiran-2-yl]phenyl]prop-2-enoic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Fang, C, Zhang, L, Zhu, Y, Zhang, C. | | Deposit date: | 2023-08-30 | | Release date: | 2024-06-12 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Substrate-bound crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins
To Be Published
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4WNA
 | | Structure of the Nitrogenase MoFe Protein from Azotobacter vinelandii Pressurized with Xenon | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Morrison, C.N, Hoy, J.A, Zhang, L, Einsle, O, Rees, D.C. | | Deposit date: | 2014-10-11 | | Release date: | 2015-03-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Substrate Pathways in the Nitrogenase MoFe Protein by Experimental Identification of Small Molecule Binding Sites.
Biochemistry, 54, 2015
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8A4T
 | | crystal structures of diastereomer (S,S,S)-13b (13b-K) in complex with the SARS-CoV-2 Mpro | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | Authors: | Ibrahim, M, Hilgenfeld, R, Zhang, L. | | Deposit date: | 2022-06-13 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease.
J.Med.Chem., 65, 2022
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6RP2
 | | Threonine to Cysteine (T225C) variant of E coli hydrogenase-1 | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Carr, S.B, Armstrong, F.A, Zhang, L. | | Deposit date: | 2019-05-13 | | Release date: | 2020-03-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Aerobic Photocatalytic H2Production by a [NiFe] Hydrogenase Engineered to Place a Silver Nanocluster in the Electron Relay.
J.Am.Chem.Soc., 142, 2020
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9J4L
 | | Crystal structure of GH9l Inulin fructotransferases (IFTase) | | Descriptor: | DFA-III-forming inulin fructotransferase | | Authors: | Chen, G, Wang, Z.X, Yang, Y.Q, Li, Y.G, Zhang, T, Ouyang, S.Y, Zhang, L, Chen, Y, Ruan, X.L, Miao, M. | | Deposit date: | 2024-08-09 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Elucidation of the mechanism underlying the sequential catalysis of inulin by fructotransferase.
Int.J.Biol.Macromol., 277, 2024
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8W72
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8A4Q
 | | crystal structures of diastereomer (R,S,S)-13b (13b-H) in complex with the SARS-CoV-2 Mpro. | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Ibrahim, M, Hilgenfeld, R, Zhang, L. | | Deposit date: | 2022-06-13 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease.
J.Med.Chem., 65, 2022
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2RJH
 | | Crystal structure of biosynthetic alaine racemase in D-cycloserine-bound form from Escherichia coli | | Descriptor: | Alanine racemase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, SULFATE ION | | Authors: | Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X. | | Deposit date: | 2007-10-15 | | Release date: | 2008-07-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008
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