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5UCW
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BU of 5ucw by Molmil
Cytochrome P411 P-4 A82L A78V F263L amination catalyst
分子名称: NADPH-cytochrome P450 reductase 102A1V3, PROTOPORPHYRIN IX CONTAINING FE
著者Zhang, R.K, Buller, A.R, Arnold, F.H.
登録日2016-12-22
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Enantioselective, intermolecular benzylic C-H amination catalysed by an engineered iron-haem enzyme.
Nat Chem, 9, 2017
6E1C
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BU of 6e1c by Molmil
Crystal structure of a MauG-like protein associated with microbial copper homeostasis
分子名称: CALCIUM ION, Di-heme enzyme, HEME C
著者Dassama, L.M.K, Rosenzweig, A.C.
登録日2018-07-09
公開日2019-07-17
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.617 Å)
主引用文献MbnH is a diheme MauG-like protein associated with microbial copper homeostasis.
J.Biol.Chem., 294, 2019
4D3O
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BU of 4d3o by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-(3-(2-(1H-Pyrrolo(2,3-b)pyridin-6-yl)ethyl)-5-(aminomethyl) phenethyl)-4-methylpyridin-2-amine
分子名称: 6-(2-{3-(aminomethyl)-5-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine, CHLORIDE ION, GLYCEROL, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-23
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4D3U
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BU of 4d3u by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase H128S in complex with N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide
分子名称: CHLORIDE ION, GLYCEROL, N-PROPANOL, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-23
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4D3T
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BU of 4d3t by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide
分子名称: CHLORIDE ION, GLYCEROL, N-PROPANOL, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-23
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4D3J
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Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine)
分子名称: 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-22
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4D3N
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BU of 4d3n by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-((2-(pyridin-2-yl)ethyl)amino)benzonitrile
分子名称: 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile, GLYCEROL, N-PROPANOL, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-23
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structure-based design of bacterial nitric oxide synthase inhibitors.
J. Med. Chem., 58, 2015
4D3I
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BU of 4d3i by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-((5-(aminomethyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine)
分子名称: 6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), GLYCEROL, N-PROPANOL, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-22
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4D3M
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BU of 4d3m by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(2-(4-methyl-6-(methylamino)pyridin-2-yl)ethyl)benzonitrile
分子名称: 3-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-5-{2-[4-METHYL-6-(METHYLAMINO)PYRIDIN-2-YL]ETHYL}BENZONITRILE, CHLORIDE ION, GLYCEROL, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-23
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.741 Å)
主引用文献Structure-based design of bacterial nitric oxide synthase inhibitors.
J. Med. Chem., 58, 2015
4D3V
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BU of 4d3v by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide
分子名称: CHLORIDE ION, GLYCEROL, N-PROPANOL, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-23
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
4D3K
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BU of 4d3k by Molmil
Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine)
分子名称: 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-10-22
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.017 Å)
主引用文献Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
8ETR
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BU of 8etr by Molmil
CryoEM Structure of NLRP3 NACHT domain in complex with G2394
分子名称: (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Murray, J.M, Johnson, M.C.
登録日2022-10-17
公開日2022-11-02
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Overcoming Preclinical Safety Obstacles to Discover ( S )- N -((1,2,3,5,6,7-Hexahydro- s -indacen-4-yl)carbamoyl)-6-(methylamino)-6,7-dihydro-5 H -pyrazolo[5,1- b ][1,3]oxazine-3-sulfonamide (GDC-2394): A Potent and Selective NLRP3 Inhibitor.
J.Med.Chem., 65, 2022
6JFK
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BU of 6jfk by Molmil
GDP bound Mitofusin2 (MFN2)
分子名称: CITRIC ACID, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Li, Y.J, Cao, Y.L, Feng, J.X, Qi, Y.B, Meng, S.X, Yang, J.F, Zhong, Y.T, Kang, S.S, Chen, X.X, Lan, L, Luo, L, Yu, B, Chen, S.D, Chan, D.C, Hu, J.J, Gao, S.
登録日2019-02-10
公開日2019-11-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Structural insights of human mitofusin-2 into mitochondrial fusion and CMT2A onset.
Nat Commun, 10, 2019
6JFL
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BU of 6jfl by Molmil
Nucleotide-free Mitofusin2 (MFN2)
分子名称: CALCIUM ION, GLYCEROL, Mitofusin-2,cDNA FLJ57997, ...
著者Li, Y.J, Cao, Y.L, Feng, J.X, Qi, Y.B, Meng, S.X, Yang, J.F, Zhong, Y.T, Kang, S.S, Chen, X.X, Lan, L, Luo, L, Yu, B, Chen, S.D, Chan, D.C, Hu, J.J, Gao, S.
登録日2019-02-10
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.806 Å)
主引用文献Structural insights of human mitofusin-2 into mitochondrial fusion and CMT2A onset.
Nat Commun, 10, 2019
6JFM
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BU of 6jfm by Molmil
Mitofusin2 (MFN2)_T111D
分子名称: ACETATE ION, CALCIUM ION, Mitofusin-2,Mitofusin-2
著者Li, Y.J, Cao, Y.L, Feng, J.X, Qi, Y.B, Meng, S.X, Yang, J.F, Zhong, Y.T, Kang, S.S, Chen, X.X, Lan, L, Luo, L, Yu, B, Chen, S.D, Chan, D.C, Hu, J.J, Gao, S.
登録日2019-02-10
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural insights of human mitofusin-2 into mitochondrial fusion and CMT2A onset.
Nat Commun, 10, 2019
8K5J
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BU of 8k5j by Molmil
The structure of SenA in complex with N,N,N-trimethyl-histidine
分子名称: FE (III) ION, GLYCEROL, N,N,N-trimethyl-histidine, ...
著者Liu, M, Yang, Y, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2023-07-21
公開日2023-12-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural insights into a novel nonheme iron-dependent oxygenase in selenoneine biosynthesis.
Int.J.Biol.Macromol., 256, 2023
8K5K
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BU of 8k5k by Molmil
The structure of SenA
分子名称: FE (III) ION, GLYCEROL, selenoneine synthase SenA
著者Liu, M, Yang, Y, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2023-07-21
公開日2023-12-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural insights into a novel nonheme iron-dependent oxygenase in selenoneine biosynthesis.
Int.J.Biol.Macromol., 256, 2023
8K5I
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The structure of SenA in complex with N,N,N-trimethyl-histidine and thioglucose
分子名称: 1-thio-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
著者Liu, M, Yang, Y, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2023-07-21
公開日2023-12-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural insights into a novel nonheme iron-dependent oxygenase in selenoneine biosynthesis.
Int.J.Biol.Macromol., 256, 2023
2NAE
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BU of 2nae by Molmil
Membrane-bound mouse CD28 cytoplasmic tail
分子名称: T-cell-specific surface glycoprotein CD28
著者Li, H, Xu, C, Pan, W.
登録日2015-12-23
公開日2016-12-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Dynamic regulation of CD28 conformation and signaling by charged lipids and ions.
Nat.Struct.Mol.Biol., 24, 2017
6WUS
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BU of 6wus by Molmil
Crystal structure of PRL-1 phosphatase C104D mutant in complex with the Bateman domain of CNNM2 magnesium transporter
分子名称: Metal transporter CNNM2, Protein tyrosine phosphatase type IVA 1
著者Kozlov, G, Gehring, K.
登録日2020-05-05
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.758 Å)
主引用文献Crystal structure of PRL phosphatase C104D mutant in complex with the Bateman domain of CNNM magnesium transporter
J.Biol.Chem., 2020
3DEE
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BU of 3dee by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE REGULATORY PROTEIN INVOLVED IN TRANSCRIPTION (NGO1945) FROM NEISSERIA GONORRHOEAE FA 1090 AT 2.25 A RESOLUTION
分子名称: CHLORIDE ION, IMIDAZOLE, Putative regulatory protein
著者Joint Center for Structural Genomics (JCSG)
登録日2008-06-09
公開日2008-08-05
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of the first representative of Pfam family PF09836 reveals a two-domain organization and suggests involvement in transcriptional regulation.
Acta Crystallogr.,Sect.F, 66, 2010
2MP0
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Protein Phosphorylation upon a Fleeting Encounter
分子名称: Glucose-specific phosphotransferase enzyme IIA component, PHOSPHITE ION, Phosphoenolpyruvate-protein phosphotransferase
著者Xing, Q, Yang, J, Huang, P, Zhang, W, Tang, C.
登録日2014-05-08
公開日2014-08-20
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Visualizing an ultra-weak protein-protein interaction in phosphorylation signaling.
Angew.Chem.Int.Ed.Engl., 53, 2014
5BOA
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BU of 5boa by Molmil
Crystal Structure of the Meningitis Pathogen Streptococcus suis adhesion Fhb bound to the disaccharide receptor Gb2
分子名称: Translation initiation factor 2 (IF-2 GTPase), alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose
著者Zhang, C, Yu, Y, Yang, M, Jiang, Y.
登録日2015-05-27
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.708 Å)
主引用文献Structural basis of the interaction between the meningitis pathogen Streptococcus suis adhesin Fhb and its human receptor.
Febs Lett., 590, 2016
3F1Z
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BU of 3f1z by Molmil
Crystal structure of putative nucleic acid-binding lipoprotein (YP_001337197.1) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 2.46 A resolution
分子名称: DI(HYDROXYETHYL)ETHER, putative nucleic acid-binding lipoprotein
著者Joint Center for Structural Genomics (JCSG)
登録日2008-10-28
公開日2008-11-18
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献The structure of KPN03535 (gi|152972051), a novel putative lipoprotein from Klebsiella pneumoniae, reveals an OB-fold.
Acta Crystallogr.,Sect.F, 66, 2010
5HYN
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BU of 5hyn by Molmil
Structure of Human Polycomb Repressive Complex 2 (PRC2) with oncogenic histone H3K27M peptide
分子名称: H3K27M, Histone-lysine N-methyltransferase EZH2, JARID2 K116me3, ...
著者Zhang, Y, Justin, N, Wilson, J.R, Gamblin, S.J.
登録日2016-02-01
公開日2016-05-11
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural basis of oncogenic histone H3K27M inhibition of human polycomb repressive complex 2.
Nat Commun, 7, 2016

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