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7MLO
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BU of 7mlo by Molmil
Crystal structure of ricin A chain in complex with 5-mesitylthiophene-2-carboxylic acid
分子名称: 1,2-ETHANEDIOL, 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid, Ricin, ...
著者Harijan, R.K, Li, X.P, Cao, B, Augeri, D, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L.
登録日2021-04-28
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 64, 2021
7MLN
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BU of 7mln by Molmil
Crystal structure of ricin A chain in complex with 5-(o-tolyl)thiophene-2-carboxylic acid
分子名称: 5-(2-methylphenyl)thiophene-2-carboxylic acid, GLYCEROL, Ricin
著者Harijan, R.K, Li, X.P, Cao, B, Augeri, D, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L.
登録日2021-04-28
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 64, 2021
7MLT
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BU of 7mlt by Molmil
Crystal structure of ricin A chain in complex with 5-(2-ethylphenyl)thiophene-2-carboxylic acid
分子名称: 1,2-ETHANEDIOL, 5-(2-ethylphenyl)thiophene-2-carboxylic acid, CHLORIDE ION, ...
著者Harijan, R.K, Li, X.P, Cao, B, Augeri, D, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L.
登録日2021-04-29
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 64, 2021
7LKK
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BU of 7lkk by Molmil
Crystal structure of Helicobacter pylori aminofutalosine deaminase (AFLDA) in complex with Methylthio-coformycin
分子名称: (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, 1,2-ETHANEDIOL, Aminofutalosine deaminase, ...
著者Harijan, R.K, Feng, M, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2021-02-02
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Aminofutalosine Deaminase in the Menaquinone Pathway of Helicobacter pylori .
Biochemistry, 60, 2021
7LKJ
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Crystal structure of Helicobacter pylori aminofutalosine deaminase (AFLDA)
分子名称: 1,2-ETHANEDIOL, Aminofutalosine deaminase, FE (III) ION
著者Harijan, R.K, Feng, M, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2021-02-02
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Aminofutalosine Deaminase in the Menaquinone Pathway of Helicobacter pylori .
Biochemistry, 60, 2021
7N7I
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BU of 7n7i by Molmil
X-ray crystal structure of Viperin-like enzyme from Trichoderma virens
分子名称: IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE, URIDINE 5'-TRIPHOSPHATE, ...
著者Grove, T.L, Almo, S.C, Bonanno, J.B, Lachowicz, J.C, Gizzi, A.G.
登録日2021-06-10
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Structural Insight into the Substrate Scope of Viperin and Viperin-like Enzymes from Three Domains of Life.
Biochemistry, 60, 2021
7N7H
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X-ray crystal structure of Viperin-like enzyme from Nematostella vectensis
分子名称: CYTIDINE-5'-TRIPHOSPHATE, IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE, ...
著者Grove, T.L, Almo, S.C, Bonanno, J.B, Lachowicz, J.C, Gizzi, A.G.
登録日2021-06-10
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural Insight into the Substrate Scope of Viperin and Viperin-like Enzymes from Three Domains of Life.
Biochemistry, 60, 2021
6AQS
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BU of 6aqs by Molmil
Crystal structure of Plasmodium falciparum purine nucleoside phosphorylase (V181D) mutant complexed with DADMe-ImmG and phosphate
分子名称: 1,2-ETHANEDIOL, 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, ...
著者Harijan, R.K, Ducati, R.G, Namanja-Magliano, H.A, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-08-21
公開日2018-02-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Genetic resistance to purine nucleoside phosphorylase inhibition in
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6AQU
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BU of 6aqu by Molmil
Crystal Structure of Plasmodium falciparum purine nucleoside phosphorylase: The M183L mutant
分子名称: PHOSPHATE ION, Purine nucleoside phosphorylase
著者Harijan, R.K, Ducati, R.G, Namanja-Magliano, H.A, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-08-21
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Genetic resistance to purine nucleoside phosphorylase inhibition inPlasmodium falciparum.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6AYR
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BU of 6ayr by Molmil
Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with butylthio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
著者Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-09-08
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase.
ACS Chem. Biol., 13, 2018
6AYT
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BU of 6ayt by Molmil
Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with pyrazinylthio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
著者Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-09-08
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase.
ACS Chem. Biol., 13, 2018
6AYO
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BU of 6ayo by Molmil
Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with 5'-deoxy-5'-Propyl-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-propylpyrrolidin-3-ol, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-09-08
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase.
ACS Chem. Biol., 13, 2018
6AYM
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BU of 6aym by Molmil
Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN)
分子名称: 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
著者Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-09-08
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase.
ACS Chem. Biol., 13, 2018
6AYS
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BU of 6ays by Molmil
Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with hexylthio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
著者Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-09-08
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase.
ACS Chem. Biol., 13, 2018
6AYQ
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BU of 6ayq by Molmil
Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, GLYCEROL
著者Cameron, S.A, Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-09-08
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase.
ACS Chem. Biol., 13, 2018
5UGF
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BU of 5ugf by Molmil
Crystal structure of human purine nucleoside phosphorylase (F159Y) mutant complexed with DADMe-ImmG and phosphate
分子名称: 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine nucleoside phosphorylase
著者Harijan, R.K, Cameron, S.A, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-01-08
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Catalytic-site design for inverse heavy-enzyme isotope effects in human purine nucleoside phosphorylase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5VJP
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BU of 5vjp by Molmil
Crystal Structure of Adenine Phosphoribosyltransferase from Saccharomyces cerevisiae Complexed with L-2,5-Dideoxy-2,5-Imino-Altritol 1,6-Bisphosphate (L-DIAB) and Adenine
分子名称: 1,2-ETHANEDIOL, ADENINE, Adenine phosphoribosyltransferase 1, ...
著者Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-04-19
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Synthesis of bis-Phosphate Iminoaltritol Enantiomers and Structural Characterization with Adenine Phosphoribosyltransferase.
ACS Chem. Biol., 13, 2018
5VJN
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BU of 5vjn by Molmil
Crystal Structure of Adenine Phosphoribosyltransferase from Saccharomyces cerevisiae Complexed with D-2,5-Dideoxy-2,5-Imino-Altritol 1,6-Bisphosphate (D-DIAB) and Adenine
分子名称: 1,2-ETHANEDIOL, ADENINE, Adenine phosphoribosyltransferase 1, ...
著者Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-04-19
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Synthesis of bis-Phosphate Iminoaltritol Enantiomers and Structural Characterization with Adenine Phosphoribosyltransferase.
ACS Chem. Biol., 13, 2018
4J1O
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BU of 4j1o by Molmil
Crystal structure of an enolase (mandelate racemase subgroup) from paracococus denitrificans pd1222 (target nysgrc-012907) with bound l-proline betaine (substrate)
分子名称: 1,1-DIMETHYL-PROLINIUM, GLYCEROL, IODIDE ION, ...
著者Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, LaFleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-02-01
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Prediction and biochemical demonstration of a catabolic pathway for the osmoprotectant proline betaine.
MBio, 5, 2014
4KAL
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BU of 4kal by Molmil
Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with quinoline-3-carboxylic acid
分子名称: ADENOSINE, DIMETHYL SULFOXIDE, POTASSIUM ION, ...
著者Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-04-22
公開日2013-05-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with quinoline-3-carboxylic acid
To be Published

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件を2024-06-12に公開中

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