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5ZQI
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BU of 5zqi by Molmil
Alginate lyase AlgAT5 from Polysaccharide Lyase family 7
Descriptor: Alginate lyase AlgAT5, SULFATE ION
Authors:Su, H, Dong, S, Feng, Y.G, Ji, S.Q, Lu, M, Li, F.L.
Deposit date:2018-04-19
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Alginate lyase AlgAT5 from Polysaccharide Lyase family 7
To Be Published
7EGN
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BU of 7egn by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
Descriptor: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2021-03-24
Release date:2021-08-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:H-Bonding Networks Dictate the Molecular Mechanism of H2O2 Activation by P450
Acs Catalysis, 11, 2021
8HDJ
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BU of 8hdj by Molmil
Periplasmic domain of RsgI2 of Clostridium thermocellum
Descriptor: Anti-sigma-I factor RsgI2, Periplasmic domain of RsgI2
Authors:Chen, C, Dong, S, Feng, Y.G.
Deposit date:2022-11-04
Release date:2023-05-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Essential autoproteolysis of bacterial anti-sigma factor RsgI for transmembrane signal transduction.
Sci Adv, 9, 2023
8HOT
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BU of 8hot by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with NH2-C7-Phe-Phe
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, NH2-C7-Phe-Phe, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2022-12-10
Release date:2023-12-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of the P450 BM3 heme domain mutant F87A in complex with NH2-C7-Phe-Phe
To Be Published
8HOO
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BU of 8hoo by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Tyr-Nap
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Tyr-Nap, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2022-12-10
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Tyr-Nap
To Be Published
7WDH
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BU of 7wdh by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol and hydroxylamine
Descriptor: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2021-12-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons.
Angew.Chem.Int.Ed.Engl., 62, 2023
7WDG
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BU of 7wdg by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol and hydroxylamine
Descriptor: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2021-12-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons.
Angew.Chem.Int.Ed.Engl., 62, 2023
1KHY
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BU of 1khy by Molmil
The Crystal Structure of ClpB N Terminal Domain, Implication to the Peptide Binding Function of ClpB
Descriptor: CLPB PROTEIN
Authors:Jingzhi, L, Bingdong, S.
Deposit date:2001-12-01
Release date:2002-12-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Crystal Structure of E. coli Hsp100 ClpB N Terminal Domain, Implication to Peptide Binding Function of ClpB
To be Published
6LUS
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BU of 6lus by Molmil
Crystal structure of the Mengla Virus VP30 C-terminal domain
Descriptor: Minor nucleoprotein VP30
Authors:Dong, S.S, Wen, K.N, Chu, H.G, Wang, C.H, Qin, X.C.
Deposit date:2020-01-30
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the Mengla virus VP30 C-terminal domain.
Biochem.Biophys.Res.Commun., 525, 2020
4Z9P
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BU of 4z9p by Molmil
Crystal structure of Ebola virus nucleoprotein core domain at 1.8A resolution
Descriptor: Nucleoprotein
Authors:Guo, Y, Dong, S.S, Yang, P, Li, G.B, Liu, B.C, Yang, C, Rao, Z.H.
Deposit date:2015-04-11
Release date:2015-05-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Insight into the Ebola virus nucleocapsid assembly mechanism: crystal structure of Ebola virus nucleoprotein core domain at 1.8 A resolution.
Protein Cell, 6, 2015
7VZG
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BU of 7vzg by Molmil
Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c (the larger form)
Descriptor: BACTERIOCHLOROPHYLL A, CALCIUM ION, CHLOROPHYLL A, ...
Authors:Huang, G.Q, Dong, S.S, Qin, X.C, Sui, S.F.
Deposit date:2021-11-16
Release date:2023-02-22
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c.
Nat Commun, 13, 2022
7VZR
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BU of 7vzr by Molmil
Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c (the smaller form)
Descriptor: BACTERIOCHLOROPHYLL A, CALCIUM ION, CHLOROPHYLL A, ...
Authors:Huang, G.Q, Dong, S.S, Qin, X.C, Sui, S.F.
Deposit date:2021-11-16
Release date:2022-12-28
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.22 Å)
Cite:Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c
Nat Commun, 13, 2022
7UYA
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BU of 7uya by Molmil
Inhibitor bound VIM1
Descriptor: (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION
Authors:Fischmann, T.O, Scapin, G.
Deposit date:2022-05-06
Release date:2023-05-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
7UYD
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BU of 7uyd by Molmil
Inhibitor bound VIM1
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
Authors:Fischmann, T.O, Scapin, G.
Deposit date:2022-05-06
Release date:2023-05-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
7UYB
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BU of 7uyb by Molmil
Inhibitor bound VIM1
Descriptor: (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION
Authors:Fischmann, T.O, Scapin, G.
Deposit date:2022-05-06
Release date:2023-05-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
7UYC
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BU of 7uyc by Molmil
Inhibitor bound VIM1
Descriptor: (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ...
Authors:Fischmann, T.O, Scapin, G.
Deposit date:2022-05-06
Release date:2023-05-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
6RYB
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BU of 6ryb by Molmil
Structure of deubiquitinase for PR-ubiquitination 1 -Dup1
Descriptor: Septation initiation protein
Authors:Donghyuk, S, Ivan, D.
Deposit date:2019-06-10
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.315 Å)
Cite:Regulation of Phosphoribosyl-Linked Serine Ubiquitination by Deubiquitinases DupA and DupB.
Mol.Cell, 77, 2020
6RYA
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BU of 6rya by Molmil
Structure of Dup1 mutant H67A:Ubiquitin complex
Descriptor: Polyubiquitin-C, Septation initiation protein
Authors:Donghyuk, S, Ivan, D.
Deposit date:2019-06-10
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Regulation of Phosphoribosyl-Linked Serine Ubiquitination by Deubiquitinases DupA and DupB.
Mol.Cell, 77, 2020
9C5P
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BU of 9c5p by Molmil
Inhibitor bound VIM1
Descriptor: (2M)-4-(piperidine-4-sulfonyl)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, MAGNESIUM ION, Metallo-beta-lactamase type 2, ...
Authors:Fischmann, T.O, Scapin, G.
Deposit date:2024-06-06
Release date:2024-10-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Discovery of sulfone containing metallo-beta-lactamase inhibitors with reduced bacterial cell efflux and histamine release issues.
Bioorg.Med.Chem.Lett., 114, 2024
6MPZ
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BU of 6mpz by Molmil
Crystal structure of a double glycine motif protease from AMS/PCAT transporter in complex with the leader peptide
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE, Double Glycine Motif Protease domain from AMS/PCAT Transporter, peptide aldehyde inhibitor 1 based on the ProcA2.8 leader peptide
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2018-10-09
Release date:2019-02-06
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights into AMS/PCAT transporters from biochemical and structural characterization of a double Glycine motif protease.
Elife, 8, 2019
6M6B
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BU of 6m6b by Molmil
Cryo-EM structure of Thermus thermophilus Mfd in complex with RNA polymerase and ATP-gamma-S
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Shi, J, Wen, A, Feng, Y.
Deposit date:2020-03-14
Release date:2020-10-14
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis of Mfd-dependent transcription termination.
Nucleic Acids Res., 48, 2020
6M6A
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BU of 6m6a by Molmil
Cryo-EM structure of Thermus thermophilus Mfd in complex with RNA polymerase
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Shi, J, Wen, A, Feng, Y.
Deposit date:2020-03-14
Release date:2020-10-14
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Structural basis of Mfd-dependent transcription termination.
Nucleic Acids Res., 48, 2020
6CIB
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BU of 6cib by Molmil
The structure of YcaO from Methanopyrus kandleri bound with AMPPCP and Mg2+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, OXAMIC ACID, ...
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2018-02-23
Release date:2018-03-21
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Enzymatic reconstitution of ribosomal peptide backbone thioamidation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CI7
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BU of 6ci7 by Molmil
The structure of YcaO from Methanopyrus kandleri bound with AMPPCP and Mg2+
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, YcaO
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2018-02-23
Release date:2018-03-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Enzymatic reconstitution of ribosomal peptide backbone thioamidation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6YHL
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BU of 6yhl by Molmil
Crystal structure of CNFy from Yersinia pseudotuberculosis - N-terminal fragment comprising residues 1-704
Descriptor: Cytotoxic necrotizing factor
Authors:Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W.
Deposit date:2020-03-30
Release date:2020-12-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.277 Å)
Cite:Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021

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数据于2024-10-30公开中

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