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5AGS
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BU of 5ags by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct 3-(Aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
分子名称: 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE, LEUCYL-TRNA SYNTHETASE, METHIONINE
著者Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
登録日2015-02-03
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5AGR
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BU of 5agr by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
分子名称: 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ...
著者Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
登録日2015-02-03
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5AGT
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BU of 5agt by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-4-chloro-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
分子名称: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, GLYCEROL, LEUCINE--TRNA LIGASE, ...
著者Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
登録日2015-02-03
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5H25
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BU of 5h25 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 11
分子名称: 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-14
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
5H24
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BU of 5h24 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 8
分子名称: 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-14
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
6LS5
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BU of 6ls5 by Molmil
Structure of human liver FBPase complexed with covalent allosteric inhibitor
分子名称: 2-(ethyldisulfanyl)-1,3-benzothiazole, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
著者Yunyuan, H, Rongrong, S, Yixiang, X, Shuaishuai, N, Yanliang, R, Jian, L, Jian, W.
登録日2020-01-17
公開日2020-05-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.031 Å)
主引用文献Identification of the New Covalent Allosteric Binding Site of Fructose-1,6-bisphosphatase with Disulfiram Derivatives toward Glucose Reduction.
J.Med.Chem., 63, 2020
6RNW
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BU of 6rnw by Molmil
The crystal structure of Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR) in complex with NADP.
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-protochlorophyllide oxidoreductase
著者Levy, C.W.
登録日2019-05-09
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
6RNV
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BU of 6rnv by Molmil
The crystal structure of Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR)
分子名称: CHLORIDE ION, Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR)
著者Levy, C.W.
登録日2019-05-09
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
3CX4
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BU of 3cx4 by Molmil
Crystal Structure of E.coli GS mutant E377A in complex with ADP and oligosaccharides
分子名称: (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ADENOSINE-5'-DIPHOSPHATE, ...
著者Sheng, F, Geiger, J.H.
登録日2008-04-23
公開日2009-04-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Oligosaccharide binding in Escherichia coli glycogen synthase.
Biochemistry, 48, 2009
3FY0
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BU of 3fy0 by Molmil
Crystal structure of PAK1 kinase domain with ruthenium complex DW1
分子名称: Ruthenium pyridocarbazole, Serine/threonine-protein kinase PAK 1
著者Maksimoska, J, Marmorstein, R, Meggers, E.
登録日2009-01-21
公開日2009-03-03
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Targeting Large Kinase Active Site with Rigid, Bulky Octahedral Ruthenium Complexes
J.Am.Chem.Soc., 130, 2008
3FXZ
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BU of 3fxz by Molmil
Crystal structure of PAK1 kinase domain with ruthenium complex lambda-FL172
分子名称: OCTAHEDRAL RU-PYRIDOCARBAZOLE, Serine/threonine-protein kinase PAK 1
著者Maksimoska, J, Marmorstein, R, Meggers, E.
登録日2009-01-21
公開日2009-02-17
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Targeting Large Kinase Active Site with Rigid, Bulky Octahedral Ruthenium Complexes
J.Am.Chem.Soc., 130, 2008
2ZGQ
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BU of 2zgq by Molmil
Crystal structure of AAL mutant L33A in P1 spacegroup
分子名称: Anti-tumor lectin
著者Li, D.F, Yang, N, Wang, D.C.
登録日2008-01-23
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGP
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BU of 2zgp by Molmil
Crystal structure of Agrocybe aegerita lectin AAL mutant I25G
分子名称: Anti-tumor lectin
著者Yang, N, Li, D.F, Wang, D.C.
登録日2008-01-23
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGO
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BU of 2zgo by Molmil
Crystal structure of AAL mutant H59Q complex with lactose
分子名称: Anti-tumor lectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Li, D.F, Yang, N, Wang, D.C.
登録日2008-01-23
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGL
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BU of 2zgl by Molmil
Crystal structure of recombinant Agrocybe aegerita (rAAL)
分子名称: Anti-tumor lectin
著者Yang, N, Li, D.F, Wang, D.C.
登録日2008-01-23
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGT
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BU of 2zgt by Molmil
Crystal structure of Agrocybe aegerita lectin AAL mutant F93G
分子名称: Anti-tumor lectin
著者Li, D.F, Yang, N, Wang, D.C.
登録日2008-01-23
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGU
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BU of 2zgu by Molmil
Crystal structure Agrocybe aegerita lectin AAL mutant I144G
分子名称: Anti-tumor lectin
著者Li, D.F, Yang, N, Wang, D.C.
登録日2008-01-23
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGM
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BU of 2zgm by Molmil
Crystal structure of recombinant Agrocybe aegerita lectin,rAAL, complex with lactose
分子名称: Anti-tumor lectin, SULFATE ION, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Li, D.F, Yang, N, Wang, D.C.
登録日2008-01-23
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGK
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BU of 2zgk by Molmil
Crystal structure of wildtype AAL
分子名称: Anti-tumor lectin
著者Yang, N, Li, D.F, Wang, D.C.
登録日2008-01-23
公開日2009-01-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGN
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BU of 2zgn by Molmil
crystal structure of recombinant Agrocybe aegerita lectin, rAAL, complex with galactose
分子名称: Anti-tumor lectin, beta-D-galactopyranose
著者Yang, N, Li, D.F, Wang, D.C.
登録日2008-01-23
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGS
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BU of 2zgs by Molmil
Crystal structure of Agrocybe aegerita lectin AAL mutant L47A
分子名称: Anti-tumor lectin
著者Li, D.F, Yang, N, Wang, D.C.
登録日2008-01-23
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGR
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BU of 2zgr by Molmil
Crystal structure of AAL mutant L33A in C2 spacegroup
分子名称: Anti-tumor lectin
著者Yang, N, Li, D.F, Wang, D.C.
登録日2008-01-23
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
7CUU
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BU of 7cuu by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with MG132
分子名称: 3C protein, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Lu, M, Yang, H.T, Wang, Z.Y, Zhao, Y, Xing, Y.F.
登録日2020-08-24
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Identification of proteasome and caspase inhibitors targeting SARS-CoV-2 M pro .
Signal Transduct Target Ther, 6, 2021
7CUT
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BU of 7cut by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with Z-VAD-FMK
分子名称: 3C protein, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Lu, M, Yang, H.T, Wang, Z.Y, Zhao, Y, Xing, Y.F.
登録日2020-08-24
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Identification of proteasome and caspase inhibitors targeting SARS-CoV-2 M pro .
Signal Transduct Target Ther, 6, 2021
5INW
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BU of 5inw by Molmil
Structure of reaction loop cleaved lamprey angiotensinogen
分子名称: C-terminal peptide of Putative angiotensinogen, Putative angiotensinogen, SULFATE ION
著者Wei, H, Zhou, A.
登録日2016-03-08
公開日2016-10-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Heparin Binds Lamprey Angiotensinogen and Promotes Thrombin Inhibition through a Template Mechanism
J.Biol.Chem., 291, 2016

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件を2024-05-15に公開中

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