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6M01
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BU of 6m01 by Molmil
The structure of HitB-HitD complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ...
Authors:Miyanaga, A, Kurihara, S, Kudo, F, Eguchi, T.
Deposit date:2020-02-19
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of Complex of Adenylation Domain and Carrier Protein by Using Pantetheine Cross-Linking Probe.
Acs Chem.Biol., 15, 2020
6MFY
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BU of 6mfy by Molmil
Crystal structure of a 5-domain construct of LgrA in the substrate donation state
Descriptor: 4'-PHOSPHOPANTETHEINE, Linear gramicidin synthase subunit A, PHOSPHATE ION
Authors:Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M.
Deposit date:2018-09-12
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility.
Science, 366, 2019
8HYN
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BU of 8hyn by Molmil
Bacterial STING from Riemerella anatipestifer
Descriptor: CD-NTase-associated protein 12, TETRAETHYLENE GLYCOL
Authors:Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
Deposit date:2023-01-07
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.089 Å)
Cite:Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
8HWI
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BU of 8hwi by Molmil
Bacterial STING from Larkinella arboricola in complex with 3'3'-c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CD-NTase-associated protein 12
Authors:Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
Deposit date:2022-12-30
Release date:2024-01-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
6MFX
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BU of 6mfx by Molmil
Crystal structure of a 4-domain construct of a mutant of LgrA in the substrate donation state
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Linear gramicidin synthase subunit A, N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ...
Authors:Reimer, J.M, Eivaskhani, M, Schmeing, T.M.
Deposit date:2018-09-12
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility.
Science, 366, 2019
6MFZ
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BU of 6mfz by Molmil
Crystal structure of dimodular LgrA in a condensation state
Descriptor: 4'-PHOSPHOPANTETHEINE, Linear gramicidin synthase subunit A
Authors:Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M.
Deposit date:2018-09-12
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (6 Å)
Cite:Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility.
Science, 366, 2019
8HY8
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BU of 8hy8 by Molmil
Bacterial STING from Epilithonimonas lactis
Descriptor: CD-NTase-associated protein 12
Authors:Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
Deposit date:2023-01-06
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.568 Å)
Cite:Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
8HY9
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BU of 8hy9 by Molmil
Bacterial STING from Riemerella anatipestifer in complex with 3'3'-c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, CD-NTase-associated protein 12
Authors:Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
Deposit date:2023-01-06
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.462 Å)
Cite:Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
8IOO
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BU of 8ioo by Molmil
Crystal structure of Deinococcus radiodurans RecJ-like protein in complex with Mg2+
Descriptor: MAGNESIUM ION, RecJ-like protein, SULFATE ION
Authors:Cheng, K.
Deposit date:2023-03-13
Release date:2024-03-20
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional investigation of the DHH/DHHA1 family proteins in Deinococcus radiodurans.
Nucleic Acids Res., 52, 2024
8IVI
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BU of 8ivi by Molmil
crystal structure of a medium-long chain fatty acyl-CoA ligase
Descriptor: Medium/long-chain-fatty-acid--CoA ligase FadD8
Authors:Li, S.
Deposit date:2023-03-27
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural study of medium-long chain fatty acyl-CoA ligase FadD8 from Mycobacterium tuberculosis.
Biochem.Biophys.Res.Commun., 672, 2023
8I5V
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BU of 8i5v by Molmil
DOCK10 mutant L1903Y complexed with Rac1
Descriptor: Dedicator of cytokinesis protein 10, Ras-related C3 botulinum toxin substrate 1, SULFATE ION
Authors:Kukimoto-Niino, M, Mishima-Tsumagari, C, Ihara, K, Fukui, Y, Yokoyama, S, Shirouzu, M.
Deposit date:2023-01-26
Release date:2023-03-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.726 Å)
Cite:Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor.
Biochem.Biophys.Res.Commun., 653, 2023
8I5W
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BU of 8i5w by Molmil
Crystal structure of the DHR-2 domain of DOCK10 in complex with Rac1
Descriptor: Dedicator of cytokinesis protein 10, Ras-related C3 botulinum toxin substrate 1, SULFATE ION
Authors:Kukimoto-Niino, M, Mishima-Tsumagari, C, Ihara, K, Fukui, Y, Yokoyama, S, Shirouzu, M.
Deposit date:2023-01-26
Release date:2023-03-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.432 Å)
Cite:Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor.
Biochem.Biophys.Res.Commun., 653, 2023
8I5F
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BU of 8i5f by Molmil
Crystal structure of the DHR-2 domain of DOCK10 in complex with Cdc42 (T17N mutant)
Descriptor: Cell division control protein 42 homolog, Dedicator of cytokinesis protein 10
Authors:Kukimoto-Niino, M, Mishima-Tsumagari, C, Fukui, Y, Yokoyama, S, Shirouzu, M.
Deposit date:2023-01-25
Release date:2023-03-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor.
Biochem.Biophys.Res.Commun., 653, 2023
8K4R
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BU of 8k4r by Molmil
Structure of VinM-VinL complex
Descriptor: Acyl-carrier-protein, Non-ribosomal peptide synthetase, SODIUM ION, ...
Authors:Miyanaga, A, Nagata, K, Nakajima, J, Chisuga, T, Kudo, F, Eguchi, T.
Deposit date:2023-07-20
Release date:2023-11-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of Amide-Forming Adenylation Enzyme VinM in Vicenistatin Biosynthesis.
Acs Chem.Biol., 18, 2023
8JBR
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BU of 8jbr by Molmil
Structure of McyA2-CAPCP
Descriptor: 4'-PHOSPHOPANTETHEINE, ADENOSINE-5'-TRIPHOSPHATE, McyA protein
Authors:Peng, Y.J.
Deposit date:2023-05-09
Release date:2024-01-24
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Modular catalytic activity of nonribosomal peptide synthetases depends on the dynamic interaction between adenylation and condensation domains.
Structure, 32, 2024
6NJ0
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BU of 6nj0 by Molmil
Wild-type E. coli MenE with bound m phenylether-linked analogue of OSB-AMS
Descriptor: 2-succinylbenzoate--CoA ligase, 5'-O-{3-[3-(2-carboxyphenyl)-3-oxopropyl]phenyl}adenosine
Authors:Si, Y, Yin, Y, French, J.B, Tonge, P.J.
Deposit date:2019-01-02
Release date:2019-04-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure-Based Design, Synthesis, and Biological Evaluation of Non-Acyl Sulfamate Inhibitors of the Adenylate-Forming Enzyme MenE.
Biochemistry, 58, 2019
6OPI
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BU of 6opi by Molmil
phosphorylated ERK2 with SCH-CPD336
Descriptor: (3R)-N-[3-(2-cyclopropylpyridin-4-yl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1
Authors:Vigers, G.P, Smith, D.
Deposit date:2019-04-25
Release date:2019-07-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OPH
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BU of 6oph by Molmil
phosphorylated ERK2 with GDC-0994
Descriptor: 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1
Authors:Vigers, G.P, Smith, D.
Deposit date:2019-04-25
Release date:2019-07-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
8FPW
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BU of 8fpw by Molmil
Crystal structure of tumor related RhoA mutant A161V in complex with GDP
Descriptor: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lin, Y, Zheng, Y.
Deposit date:2023-01-05
Release date:2024-06-05
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Tumor-derived RHOA mutants interact with effectors in the GDP-bound state.
Nat Commun, 15, 2024
8FPX
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BU of 8fpx by Molmil
Crystal structure of tumor related RhoA mutant A161P in complex with GDP
Descriptor: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lin, Y, Zheng, Y.
Deposit date:2023-01-05
Release date:2024-06-05
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Tumor-derived RHOA mutants interact with effectors in the GDP-bound state.
Nat Commun, 15, 2024
8RWJ
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BU of 8rwj by Molmil
cryoEM structure of Acs1 filament determined by FilamentID
Descriptor: Acetyl-coenzyme A synthetase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate
Authors:Hugener, J, Xu, J, Wettstein, R, Ioannidi, L, Velikov, D, Wollweber, F, Henggeler, A, Matos, J, Pilhofer, M.
Deposit date:2024-02-05
Release date:2024-06-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:FilamentID reveals the composition and function of metabolic enzyme polymers during gametogenesis.
Cell, 187, 2024
8G96
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BU of 8g96 by Molmil
Adenylation domain structure from NRPS-like Delta-Poly-L-Ornithine synthetase (L-Ornithine bound)
Descriptor: Dimodular nonribosomal peptide synthase, GLYCEROL, L-ornithine
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2023-02-21
Release date:2023-10-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional insights into delta-poly-L-ornithine polymer biosynthesis from Acinetobacter baumannii.
Commun Biol, 6, 2023
8G95
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BU of 8g95 by Molmil
Adenylation domain structure from NRPS-like Delta-Poly-L-Ornithine synthetase
Descriptor: 1,2-ETHANEDIOL, CACODYLATE ION, Dimodular nonribosomal peptide synthase
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2023-02-21
Release date:2023-10-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional insights into delta-poly-L-ornithine polymer biosynthesis from Acinetobacter baumannii.
Commun Biol, 6, 2023
8G98
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BU of 8g98 by Molmil
Adenylation domain structure from NRPS-like Delta-Poly-L-Ornithine synthetase (L-Lysine bound)
Descriptor: Dimodular nonribosomal peptide synthase, GLYCEROL, LYSINE
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2023-02-21
Release date:2023-10-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural and functional insights into delta-poly-L-ornithine polymer biosynthesis from Acinetobacter baumannii.
Commun Biol, 6, 2023
8G97
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BU of 8g97 by Molmil
Adenylation domain structure from NRPS-like Delta-Poly-L-Ornithine synthetase (D-Ornithine bound)
Descriptor: D-ORNITHINE, Dimodular nonribosomal peptide synthase, GLYCEROL, ...
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2023-02-21
Release date:2023-10-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural and functional insights into delta-poly-L-ornithine polymer biosynthesis from Acinetobacter baumannii.
Commun Biol, 6, 2023

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数据于2024-09-04公开中

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