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4EKE
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BU of 4eke by Molmil
Crystal structure of GPb in complex with DK11
分子名称: 3-(beta-D-glucopyranosyl)-6-pentylfuro[2,3-d]pyrimidin-2(3H)-one, Glycogen phosphorylase, muscle form
著者Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D.
登録日2012-04-09
公開日2012-07-25
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment.
Eur.J.Med.Chem., 54, 2012
3PCU
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BU of 3pcu by Molmil
Crystal structure of human retinoic X receptor alpha ligand-binding domain complexed with LX0278 and SRC1 peptide
分子名称: 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Zhang, H, Zhang, Y, Shen, H, Chen, J, Li, C, Chen, L, Hu, L, Jiang, H, Shen, X.
登録日2010-10-22
公開日2011-11-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献(+)-Rutamarin as a Dual Inducer of Both GLUT4 Translocation and Expression Efficiently Ameliorates Glucose Homeostasis in Insulin-Resistant Mice.
Plos One, 7, 2012
7SA8
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BU of 7sa8 by Molmil
Crystal Structure of the periplasmic lyase AlgL K66A Mutant
分子名称: Alginate lyase
著者Gheorghita, A.A, Pfoh, R, Wong, S.S.Y, Howell, P.L.
登録日2021-09-22
公開日2022-08-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Pseudomonas aeruginosa homeostasis enzyme AlgL clears the periplasmic space of accumulated alginate during polymer biosynthesis.
J.Biol.Chem., 298, 2022
6BJE
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BU of 6bje by Molmil
Crystal Structure of Lysophospholipase A2 Conjugated with Phenylmethylsulfonyl Fluoride
分子名称: Acyl-protein thioesterase 2, phenylmethanesulfonic acid
著者Xu, S.
登録日2017-11-06
公開日2018-11-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Lysophospholipases cooperate to mediate lipid homeostasis and lysophospholipid signaling.
J. Lipid Res., 60, 2019
6VPF
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BU of 6vpf by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene
分子名称: Clomifene, Estrogen receptor
著者Fanning, S.W, Greene, G.L.
登録日2020-02-03
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
2ZL8
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BU of 2zl8 by Molmil
Crystal structure of copper amine oxidase from Arthrobacter globiformis: Substrate Schiff-base intermediate formed with ethylamine
分子名称: COPPER (II) ION, Phenylethylamine oxidase
著者Murakawa, T, Okajima, T.
登録日2008-04-03
公開日2008-08-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Further insight into the mechanism of stereoselective proton abstraction by bacterial copper amine oxidase
Biochemistry, 47, 2008
6V8T
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BU of 6v8t by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102
分子名称: Estrogen receptor, LSZ102
著者Fanning, S.W, Greene, G.L.
登録日2019-12-12
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
6ISW
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BU of 6isw by Molmil
Structure of human telomeric DNA with 5-selenophene-modified deoxyuridine at residue 12
分子名称: DNA (22-MER), POTASSIUM ION
著者Saikrishnan, K, Nuthanakanti, A, Srivatsan, S.G, Ahmad, I.
登録日2018-11-19
公開日2019-05-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Probing G-quadruplex topologies and recognition concurrently in real time and 3D using a dual-app nucleoside probe.
Nucleic Acids Res., 47, 2019
6I8M
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BU of 6i8m by Molmil
THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH ISOINDOLINONE INHIBITOR
分子名称: (1~{S})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide, Poly [ADP-ribose] polymerase 1
著者Casale, E, Papeo, G, Montagnoli, A.
登録日2018-11-20
公開日2019-05-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Stereospecific PARP-1 Inhibitor Isoindolinone NMS-P515.
Acs Med.Chem.Lett., 10, 2019
6IP3
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BU of 6ip3 by Molmil
Structure of human telomeric DNA at 1.4 Angstroms resolution
分子名称: DNA (5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION
著者Saikrishnan, K, Nuthanakanti, A, Srivatsan, S.G, Ahmad, I.
登録日2018-11-01
公開日2019-05-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Probing G-quadruplex topologies and recognition concurrently in real time and 3D using a dual-app nucleoside probe.
Nucleic Acids Res., 47, 2019
6IX8
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BU of 6ix8 by Molmil
The structure of LepI C52A in complex with SAM and its substrate analogue
分子名称: (1R,2R,4aS,8S,8aR)-2,8-dimethyl-5'-phenyl-4a,5,6,7,8,8a-hexahydro-2H,2'H-spiro[naphthalene-1,3'-pyridine]-2',4'(1'H)-dione, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J.
登録日2018-12-09
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.659 Å)
主引用文献Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI.
Nat.Chem., 11, 2019
8PIE
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BU of 8pie by Molmil
Crystal structure of the human nucleoside diphosphate kinase B domain in complex with the product AT-8500 formed by catalysis of compound AT-9010
分子名称: GLYCEROL, Nucleoside diphosphate kinase B, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate
著者Feracci, M, Chazot, A, Ferron, F, Alvarez, K, Canard, B.
登録日2023-06-21
公開日2024-07-31
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The activation cascade of the broad-spectrum antiviral bemnifosbuvir characterized at atomic resolution.
Plos Biol., 22, 2024
6IX5
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BU of 6ix5 by Molmil
The structure of LepI complex with SAM and its substrate analogue
分子名称: 1,2-ETHANEDIOL, 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one, CHLORIDE ION, ...
著者Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J.
登録日2018-12-09
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI.
Nat.Chem., 11, 2019
8JKU
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BU of 8jku by Molmil
Ancestral imine reductase N559
分子名称: Ancestral imine reductase N559, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhu, X.X, Zheng, G.W.
登録日2023-06-01
公開日2023-08-09
最終更新日2024-12-11
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Evolutionary insights into the stereoselectivity of imine reductases based on ancestral sequence reconstruction.
Nat Commun, 15, 2024
6IX3
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BU of 6ix3 by Molmil
The structure of LepI complex with SAM
分子名称: CHLORIDE ION, O-methyltransferase lepI, S-ADENOSYLMETHIONINE
著者Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J.
登録日2018-12-09
公開日2019-07-17
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI.
Nat.Chem., 11, 2019
9CTE
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BU of 9cte by Molmil
De novo design of protein catalysts for new-to-nature reactions
分子名称: 5,15-Diphenylporphyrin containing FE, CHLORIDE ION, De novo protein
著者Hou, K, DeGrado, W.F.
登録日2024-07-25
公開日2025-05-07
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献De novo design of porphyrin-containing proteins as efficient and stereoselective catalysts.
Science, 388, 2025
4ZGW
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BU of 4zgw by Molmil
Short-chain dehydrogenase/reductase from Serratia marcescens BCRC 10948
分子名称: short-chain dehydrogenase/reductase
著者Wang, W.-C.
登録日2015-04-24
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Stereoselective synthesis of (R)-phenylephrine using recombinant Escherichia coli cells expressing a novel short-chain dehydrogenase/reductase gene from Serratia marcescens BCRC 10948
To Be Published
7D8G
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BU of 7d8g by Molmil
The crystal structure of nucleotide phosphatase Sa1684 from Staphylococcus aureus
分子名称: CITRIC ACID, GLYCEROL, MAGNESIUM ION, ...
著者Wang, Z, Li, X.
登録日2020-10-08
公開日2021-03-17
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The structural mechanism for the nucleoside tri- and diphosphate hydrolysis activity of Ntdp from Staphylococcus aureus.
Febs J., 288, 2021
6IP7
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BU of 6ip7 by Molmil
Structure of human telomeric DNA with 5-Selenophene-modified deoxyuridine at residue 11
分子名称: DNA (22-MER), POTASSIUM ION
著者Saikrishnan, K, Nuthanakanti, A, Srivatsan, S.G, Ahmad, I.
登録日2018-11-02
公開日2019-05-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Probing G-quadruplex topologies and recognition concurrently in real time and 3D using a dual-app nucleoside probe.
Nucleic Acids Res., 47, 2019
7UJ7
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BU of 7uj7 by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with RU39411
分子名称: 11alpha-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1(10),2,4-triene-3,17beta-diol, Estrogen receptor
著者Fanning, S.W, Greene, G.L.
登録日2022-03-30
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
6IX9
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BU of 6ix9 by Molmil
The structure of LepI C52A in complex with SAM and leporin C
分子名称: (6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one, CHLORIDE ION, GLYCEROL, ...
著者Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J.
登録日2018-12-09
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.776 Å)
主引用文献Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI.
Nat.Chem., 11, 2019
6IX7
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BU of 6ix7 by Molmil
The structure of LepI C52A in complex with SAH and substrate analogue
分子名称: 1,2-ETHANEDIOL, 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one, CHLORIDE ION, ...
著者Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J.
登録日2018-12-09
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.835 Å)
主引用文献Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI.
Nat.Chem., 11, 2019
8HJZ
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BU of 8hjz by Molmil
Crystal structure of a cupin protein (tm1459, H52A/H58Q mutant) in copper (Cu) substituted form
分子名称: COPPER (II) ION, Cupin_2 domain-containing protein
著者Matsumoto, R, Kurisu, G, Fujieda, N.
登録日2022-11-24
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献An artificial metallolyase with pliable 2-His-1-carboxylate facial triad for stereoselective Michael addition.
Chem Sci, 14, 2023
8HJX
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BU of 8hjx by Molmil
Crystal structure of a cupin protein (tm1459, H52A/H58E mutant) in copper (Cu) substituted form
分子名称: COPPER (II) ION, Cupin_2 domain-containing protein
著者Matsumoto, R, Kurisu, G, Fujieda, N.
登録日2022-11-24
公開日2023-06-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献An artificial metallolyase with pliable 2-His-1-carboxylate facial triad for stereoselective Michael addition.
Chem Sci, 14, 2023
8HJY
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BU of 8hjy by Molmil
Crystal structure of a cupin protein (tm1459, H52A/H58E/F104W mutant) in copper (Cu) substituted form
分子名称: COPPER (II) ION, Cupin_2 domain-containing protein
著者Matsumoto, R, Kurisu, G, Fujieda, N.
登録日2022-11-24
公開日2023-06-14
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献An artificial metallolyase with pliable 2-His-1-carboxylate facial triad for stereoselective Michael addition.
Chem Sci, 14, 2023

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件を2025-07-09に公開中

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