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6IO6
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BU of 6io6 by Molmil
Silver-bound Glyceraldehyde-3-phosphate dehydrogenase A at non-catalytic site
分子名称: Glyceraldehyde-3-phosphate dehydrogenase A, SILVER ION
著者Wang, H, Sun, H, Wang, M.
登録日2018-10-29
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Antimicrobial silver targets glyceraldehyde-3-phosphate dehydrogenase in glycolysis ofE. coli.
Chem Sci, 10, 2019
5UJ7
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BU of 5uj7 by Molmil
Structure of the active form of human Origin Recognition Complex ATPase motor module, complex subunitS 1, 4, 5
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Origin recognition complex subunit 1, ...
著者Tocilj, A, Elkayam, E, On, K.F, Joshua-Tor, L.
登録日2017-01-17
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.394 Å)
主引用文献Structure of the active form of human Origin Recognition Complex and its ATPase motor module.
Elife, 6, 2017
5VUZ
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BU of 5vuz by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-(Pyridin-3-yl)propyl)amino)methyl)quinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-(((3-(PYRIDIN-3-YL)PROPYL)AMINO)METHYL)QUINOLIN-2-, Nitric oxide synthase, ...
著者Huiying, L, Thomas, L.P.
登録日2017-05-19
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
4JNC
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BU of 4jnc by Molmil
Soluble Epoxide Hydrolase complexed with a carboxamide inhibitor
分子名称: 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[2-(trifluoromethyl)benzyl]piperidine-4-carboxamide, Bifunctional epoxide hydrolase 2
著者Shewchuk, L.M.
登録日2013-03-15
公開日2013-06-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of 1-(1,3,5-triazin-2-yl)piperidine-4-carboxamides as inhibitors of soluble epoxide hydrolase.
Bioorg.Med.Chem.Lett., 23, 2013
5VUW
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BU of 5vuw by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-(Dimethylamino)benzyl)amino)methyl)quinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[[3-(dimethylamino)phenyl]methylamino]methyl]quinolin-2-amine, Nitric oxide synthase, ...
著者Huiying, L, Thomas, L.P.
登録日2017-05-19
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
5VUX
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BU of 5vux by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((4-(Dimethylamino)benzyl)amino)methyl)quinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine, Nitric oxide synthase, ...
著者Huiying, L, Thomas, L.P.
登録日2017-05-19
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
5VV1
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BU of 5vv1 by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-(4-Methoxypyridin-3-yl)propyl)amino)methyl)quinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine, Nitric oxide synthase, ...
著者Huiying, L, Thomas, L.P.
登録日2017-05-19
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
5VV4
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BU of 5vv4 by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile
分子名称: 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Huiying, L, Thomas, L.P.
登録日2017-05-19
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
5W6V
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BU of 5w6v by Molmil
The Structure of human Argonaute-1 in complex with the hook motif of human GW182
分子名称: Protein argonaute-1, RNA (5'-R(P*AP*AP*UP*AP*UP*UP*AP*AP*AP*A)-3'), Trinucleotide repeat-containing gene 6A protein
著者Elkayam, E, Faehnle, C.R, Joshua-Tor, L.
登録日2017-06-17
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.828 Å)
主引用文献Multivalent Recruitment of Human Argonaute by GW182.
Mol. Cell, 67, 2017
5UJ8
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BU of 5uj8 by Molmil
Human Origin Recognition Complex subunits 2 and 3
分子名称: Origin recognition complex subunit 2, Origin recognition complex subunit 3
著者Tocilj, A, On, K.F, Elkayam, E, Joshua-Tor, L.
登録日2017-01-17
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Structure of the active form of human Origin Recognition Complex and its ATPase motor module.
Elife, 6, 2017
6LHE
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BU of 6lhe by Molmil
Crystal Structure of Gold-bound NDM-1
分子名称: GOLD ION, Metallo-beta-lactamase type 2, SULFATE ION
著者Wang, H, Sun, H, Wang, M.
登録日2019-12-07
公開日2020-09-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.206 Å)
主引用文献Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
5VUV
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BU of 5vuv by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-Fluorophenyl)amino)methyl)quinolin-2-amine Dihydrochloride
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine, Nitric oxide synthase, ...
著者Huiying, L, Thomas, L.P.
登録日2017-05-19
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.983 Å)
主引用文献Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
5VV2
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BU of 5vv2 by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((3-(5-Fluoropyridin-3-yl)propyl)amino)methyl)quinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine, Nitric oxide synthase, ...
著者Huiying, L, Thomas, L.P.
登録日2017-05-19
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
4LMG
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BU of 4lmg by Molmil
Crystal structure of AFT2 in complex with DNA
分子名称: 5'-D(*AP*AP*GP*TP*GP*CP*AP*CP*CP*CP*AP*TP*T)-3', 5'-D(*TP*AP*AP*TP*GP*GP*GP*TP*GP*CP*AP*CP*T)-3', Iron-regulated transcriptional activator AFT2, ...
著者Poor, C.B, Sanishvili, R, Schuermann, J.P, He, C.
登録日2013-07-10
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular mechanism and structure of the Saccharomyces cerevisiae iron regulator Aft2.
Proc.Natl.Acad.Sci.USA, 111, 2014
5XHQ
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BU of 5xhq by Molmil
Apolipoprotein N-acyl Transferase
分子名称: Apolipoprotein N-acyltransferase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Yingzhi, X, Yong, X, Guangyuan, L, Fei, S.
登録日2017-04-23
公開日2017-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.587 Å)
主引用文献Crystal structure of E. coli apolipoprotein N-acyl transferase
Nat Commun, 8, 2017
6IVY
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BU of 6ivy by Molmil
Crystal structure of iron-bound HitA from Pseudomonas aeruginosa
分子名称: FE (III) ION, PHOSPHATE ION, Periplasmic Ferric iron-binding Protein HitA
著者Zhang, Z.R, Li, H.Y.
登録日2018-12-04
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9999994 Å)
主引用文献Identification and Characterization of a Metalloprotein Involved in Gallium Internalization in Pseudomonas aeruginosa.
Acs Infect Dis., 5, 2019
7WAA
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BU of 7waa by Molmil
Crystal structure of MCR-1-S treated by AgNO3
分子名称: Probable phosphatidylethanolamine transferase Mcr-1, SILVER ION
著者Zhang, Q, Wang, M, Sun, H.
登録日2021-12-13
公開日2022-03-16
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Re-sensitization of mcr carrying multidrug resistant bacteria to colistin by silver.
Proc.Natl.Acad.Sci.USA, 119, 2022
6KQQ
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BU of 6kqq by Molmil
NSD1 SET domain in complex with BT3 and SAM
分子名称: 2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol, 2-azanyl-6-sulfanyl-1,3-benzothiazol-4-ol, CALCIUM ION, ...
著者Cho, H.J, Cierpicki, T.
登録日2019-08-18
公開日2020-09-02
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Covalent inhibition of NSD1 histone methyltransferase.
Nat.Chem.Biol., 16, 2020
6LI6
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BU of 6li6 by Molmil
Crystal structure of MCR-1-S treated by Au(PEt3)Cl
分子名称: GOLD ION, Probable phosphatidylethanolamine transferase Mcr-1, TRIETHYLPHOSPHANE
著者Zhang, Q, Wang, M, Sun, H.
登録日2019-12-10
公開日2020-09-16
最終更新日2020-10-28
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
6KQP
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BU of 6kqp by Molmil
NSD1 SET domain in complex with SAM
分子名称: Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific, S-ADENOSYLMETHIONINE, ...
著者Cho, H.J, Cierpicki, T.
登録日2019-08-18
公開日2020-09-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Covalent inhibition of NSD1 histone methyltransferase.
Nat.Chem.Biol., 16, 2020
7DBF
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BU of 7dbf by Molmil
The structure of the Arabidopsis thaliana guanosine deaminase
分子名称: Guanosine deaminase, ZINC ION
著者Xie, W, Jia, Q, Zeng, H.
登録日2020-10-20
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The C-terminal loop of Arabidopsis thaliana guanosine deaminase is essential to catalysis.
Chem.Commun.(Camb.), 57, 2021
7DC9
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BU of 7dc9 by Molmil
The structure of the Arabidopsis thaliana guanosine deaminase mutant E82Q complex with guanosine
分子名称: GUANOSINE, Guanosine deaminase, ZINC ION
著者Xie, W, Jia, Q, Zeng, H.
登録日2020-10-23
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The C-terminal loop of Arabidopsis thaliana guanosine deaminase is essential to catalysis.
Chem.Commun.(Camb.), 57, 2021
7DCA
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BU of 7dca by Molmil
The structure of the Arabidopsis thaliana guanosine deaminase bound by xanthosine
分子名称: 2,3-dihydroxanthosine, Guanosine deaminase, ZINC ION
著者Xie, W, Jia, Q, Zeng, H.
登録日2020-10-23
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The C-terminal loop of Arabidopsis thaliana guanosine deaminase is essential to catalysis.
Chem.Commun.(Camb.), 57, 2021
7DCB
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BU of 7dcb by Molmil
The structure of the Arabidopsis thaliana guanosine deaminase complexed with inosine
分子名称: Guanosine deaminase, INOSINE, ZINC ION
著者Xie, W, Jia, Q, Zeng, H.
登録日2020-10-23
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Substrate Specificity of GSDA Revealed by Cocrystal Structures and Binding Studies.
Int J Mol Sci, 23, 2022
7DCW
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BU of 7dcw by Molmil
The structure of the Arabidopsis thaliana guanosine deaminase complexed with adenosine
分子名称: ADENOSINE, Guanosine deaminase, ZINC ION
著者Xie, W, Jia, Q, Zeng, H.
登録日2020-10-27
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Substrate Specificity of GSDA Revealed by Cocrystal Structures and Binding Studies.
Int J Mol Sci, 23, 2022

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