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5AL8
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BU of 5al8 by Molmil
Transthyretin binding heterogeneity and anti-amyloidogenic activity of natural polyphenols and their metabolites: daidzein-7-O- glucuronide
分子名称: DAIDZEIN-7-O-GLUCURONIDE, TRANSTHYRETIN
著者Florio, P, Foll, C, Cianci, M, Del Rio, D, Zanotti, G, Berni, R.
登録日2015-03-06
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Transthyretin Binding Heterogeneity and Anti-Amyloidogenic Activity of Natural Polyphenols and Their Metabolites
J.Biol.Chem., 290, 2015
6LUH
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BU of 6luh by Molmil
High resolution structure of N(omega)-hydroxy-L-arginine hydrolase
分子名称: MAGNESIUM ION, MANGANESE (II) ION, N(omega)-hydroxy-L-arginine amidinohydrolase
著者Oda, K, Matoba, Y.
登録日2020-01-28
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of an Nomega-hydroxy-L-arginine hydrolase found in the D-cycloserine biosynthetic pathway.
Acta Crystallogr D Struct Biol, 76, 2020
7DFB
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BU of 7dfb by Molmil
Crystal of Arrestin2-V2Rpp-6-7-Fab30 complex
分子名称: Beta-arrestin-1, FAB30 HEAVY CHAIN, FAB30 LIGHT CHAIN, ...
著者Sun, J.P, Yu, X, Xiao, P, He, Q.T, Lin, J.Y, Zhu, Z.L.
登録日2020-11-06
公開日2021-07-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献Structural studies of phosphorylation-dependent interactions between the V2R receptor and arrestin-2.
Nat Commun, 12, 2021
4ZY0
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BU of 4zy0 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10q
分子名称: CARBONATE ION, GLYCEROL, N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-21
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
6LVW
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BU of 6lvw by Molmil
Polyextremophilic Beta-galactosidase from the Antarctic haloarchaeon Halorubrum lacusprofundi
分子名称: Beta-galactosidase Bga, MAGNESIUM ION, ZINC ION
著者Muhammad, R, Arold, S.T.
登録日2020-02-06
公開日2020-10-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.493 Å)
主引用文献Understanding High-Salt and Cold Adaptation of a Polyextremophilic Enzyme.
Microorganisms, 8, 2020
6LVN
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BU of 6lvn by Molmil
Structure of the 2019-nCoV HR2 Domain
分子名称: Spike protein S2'
著者Zhu, Y, Sun, F.
登録日2020-02-04
公開日2020-02-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Crystal structure of HR2 domain of 2019-nCoV S2 subunit
To Be Published
6LX4
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BU of 6lx4 by Molmil
X-ray structure of human PPARalpha ligand binding domain-fenofibric acid co-crystals obtained by delipidation and co-crystallization
分子名称: 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2020-02-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
4ZVX
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BU of 4zvx by Molmil
Structure of apo human ALDH7A1 in space group P4212
分子名称: Alpha-aminoadipic semialdehyde dehydrogenase
著者Tanner, J.J.
登録日2015-05-18
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis of Substrate Recognition by Aldehyde Dehydrogenase 7A1.
Biochemistry, 54, 2015
7DF9
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BU of 7df9 by Molmil
Crystal of Arrestin2-V2Rpp-1-Fab30 complex
分子名称: Beta-arrestin-1, FAB30 HEAVY CHAIN, FAB30 LIGHT CHAIN, ...
著者Sun, J.P, Yu, X, Xiao, P, He, Q.T, Lin, J.Y, Zhu, Z.L.
登録日2020-11-06
公開日2021-07-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Structural studies of phosphorylation-dependent interactions between the V2R receptor and arrestin-2.
Nat Commun, 12, 2021
7DFA
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BU of 7dfa by Molmil
Crystal of Arrestin2-V2Rpp-4-Fab30 complex
分子名称: Beta-arrestin-1, FAB30 HEAVY CHAIN, FAB30 LIGHT CHAIN, ...
著者Sun, J.P, Yu, X, Xiao, P, He, Q.T, Lin, J.Y, Zhu, Z.L.
登録日2020-11-06
公開日2021-07-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structural studies of phosphorylation-dependent interactions between the V2R receptor and arrestin-2.
Nat Commun, 12, 2021
7DFC
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BU of 7dfc by Molmil
Crystal of Arrestin2-V2Rpp-3-Fab30 complex
分子名称: Beta-arrestin-1, FAB30 HEAVY CHAIN, FAB30 LIGHT CHAIN, ...
著者Sun, J.P, Yu, X, Xiao, P, He, Q.T, Lin, J.Y, Zhu, Z.L.
登録日2020-11-06
公開日2021-07-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural studies of phosphorylation-dependent interactions between the V2R receptor and arrestin-2.
Nat Commun, 12, 2021
7KRD
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BU of 7krd by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-(3-chloro-5-cyanophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ702)
分子名称: 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
著者Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-11-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
5ADC
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BU of 5adc by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((5-((Methylamino)methyl)pyridin-3-yl)oxy)methyl) quinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2015-08-20
公開日2015-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
7DBN
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BU of 7dbn by Molmil
HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/M184V/F160M:DNA:dCTP ternary complex
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ...
著者Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
登録日2020-10-21
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Biochemical and Structural Properties of Entecavir-Resistant Hepatitis B Virus Polymerase with L180M/M204V Mutations.
J.Virol., 95, 2021
4ZX6
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BU of 4zx6 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10s
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-20
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZY2
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BU of 4zy2 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10o
分子名称: CARBONATE ION, DIMETHYL SULFOXIDE, N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-21
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZT7
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BU of 4zt7 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N'-(5-fluoro-3H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1717)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-05-14
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
5A13
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BU of 5a13 by Molmil
Crystal structure of Chlorite Dismutase from Magnetospirillum sp. in complex with thiocyanate
分子名称: CHLORITE DISMUTASE, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Correia, H.D, Santos-Silva, T.
登録日2015-04-27
公開日2015-09-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Ligand Binding to Chlorite Dismutase from Magnetospirillum Sp.
J.Phys.Chem.B, 119, 2015
4ZV3
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BU of 4zv3 by Molmil
Crystal structure of the N- and C-terminal domains of mouse acyl-CoA thioesterase 7
分子名称: COENZYME A, Cytosolic acyl coenzyme A thioester hydrolase
著者Swarbrick, C.M.D, Forwood, J.K.
登録日2015-05-18
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of the N- and C-terminal domains of mouse acyl-CoA thioesterase 7
To Be Published
6EPU
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BU of 6epu by Molmil
The ATAD2 bromodomain in complex with compound 2
分子名称: (2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Sledz, P, Caflisch, A.
登録日2017-10-12
公開日2018-10-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
7DBM
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BU of 7dbm by Molmil
HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/M184V:DNA:dGTP ternary complex
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ...
著者Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
登録日2020-10-21
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Biochemical and Structural Properties of Entecavir-Resistant Hepatitis B Virus Polymerase with L180M/M204V Mutations.
J.Virol., 95, 2021
4ZVY
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BU of 4zvy by Molmil
Structure of human ALDH7A1 complexed with NAD+ in space group P4212
分子名称: Alpha-aminoadipic semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Tanner, J.J.
登録日2015-05-18
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis of Substrate Recognition by Aldehyde Dehydrogenase 7A1.
Biochemistry, 54, 2015
6LS4
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BU of 6ls4 by Molmil
A novel anti-tumor agent S-40 in complex with tubulin
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ...
著者Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H.
登録日2020-01-17
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A novel orally active microtubule destabilizing agent S-40 targets the colchicine-binding site and shows potent antitumor activity.
Cancer Lett., 495, 2020
4ZX9
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BU of 4zx9 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10b
分子名称: CARBONATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-20
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
6LT5
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BU of 6lt5 by Molmil
Lysozyme protected by alginate gel
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
著者Tomoike, F, Morita, S, Nagae, T, Okada, T.
登録日2020-01-21
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Post-crystallization protection of protein crystals
To Be Published

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件を2024-07-17に公開中

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