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7ABB
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BU of 7abb by Molmil
The truncated structure of the Bottromycin biosynthetic protein SalCYP
分子名称: HEME C, SalCYP truncation
著者Adam, S, Koehnke, J.
登録日2020-09-07
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.50004339 Å)
主引用文献Characterization of the Stereoselective P450 Enzyme BotCYP Enables the In Vitro Biosynthesis of the Bottromycin Core Scaffold.
J.Am.Chem.Soc., 142, 2020
6I86
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BU of 6i86 by Molmil
Crocagin biosynthetic gene J
分子名称: GLYCEROL, Uncharacterized protein
著者Adam, S, Koehnke, J.
登録日2018-11-19
公開日2019-03-13
最終更新日2019-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of CgnJ, a domain of unknown function protein from the crocagin gene cluster.
Acta Crystallogr.,Sect.F, 75, 2019
6ZSU
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BU of 6zsu by Molmil
Structure of crocagin biosynthetic protein CgnE
分子名称: CgnE
著者Adam, S, Koehnke, J.
登録日2020-07-16
公開日2022-07-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Unusual peptide-binding proteins guide pyrroloindoline alkaloid formation in crocagin biosynthesis.
Nat.Chem., 15, 2023
7ABA
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BU of 7aba by Molmil
The structure of the Bottromycin biosynthetic protein SalCYP
分子名称: HEME C, SalCYP
著者Adam, S, Koehnke, J.
登録日2020-09-07
公開日2020-12-02
最終更新日2021-10-06
実験手法X-RAY DIFFRACTION (1.85002315 Å)
主引用文献Characterization of the Stereoselective P450 Enzyme BotCYP Enables the In Vitro Biosynthesis of the Bottromycin Core Scaffold.
J.Am.Chem.Soc., 142, 2020
8A8Y
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BU of 8a8y by Molmil
Structure of truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Klebsiella pneumoniae
分子名称: 1-deoxy-D-xylulose-5-phosphate synthase
著者Adam, S, Hirsch, A.
登録日2022-06-24
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.10000443 Å)
主引用文献Structure of truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Klebsiella pneumoniae
To Be Published
8A2N
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BU of 8a2n by Molmil
Structure of crocagin biosynthetic protein CgnD
分子名称: CgnD, SULFATE ION
著者Adam, S, Koehnke, J.
登録日2022-06-06
公開日2023-02-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Unusual peptide-binding proteins guide pyrroloindoline alkaloid formation in crocagin biosynthesis.
Nat.Chem., 15, 2023
8A9C
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BU of 8a9c by Molmil
Structure of truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Klebsiella pneumoniae in complex with cofactor TPP
分子名称: 1-deoxy-D-xylulose-5-phosphate synthase, MAGNESIUM ION, THIAMINE DIPHOSPHATE
著者Adam, S, Hirsch, A.
登録日2022-06-28
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Klebsiella pneumoniae in complex with cofactor TPP
To Be Published
8AHD
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BU of 8ahd by Molmil
The apo structure of the Corramycin phosphotransferase
分子名称: Corramycin phosphotransferase, GLYCEROL
著者Adam, S, Mueller, R, Koehnke, J.
登録日2022-07-21
公開日2023-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The apo structure of the Corramycin phosphotransferase
To Be Published
8AGY
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BU of 8agy by Molmil
The Corramycin phosphotransferase in complex with Corramycin
分子名称: ABCD, Corramycin phosphotransferase, GLYCEROL
著者Adam, S, Mueller, R, Koehnke, J.
登録日2022-07-20
公開日2023-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Corramycin phosphotransferase in complex with Corramycin
To Be Published
6Z8L
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BU of 6z8l by Molmil
Alpha-Amylase in complex with probe fragments
分子名称: CALCIUM ION, CHLORIDE ION, Pancreatic alpha-amylase, ...
著者Adam, S, Koehnke, J.
登録日2020-06-02
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.40000367 Å)
主引用文献Enhancing glycan stability via site-selective fluorination: modulating substrate orientation by molecular design.
Chem Sci, 12, 2020
6ZSV
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BU of 6zsv by Molmil
Structure of crocagin biosynthetic protein CgnB
分子名称: Uncharacterized protein, ZINC ION
著者Koehnke, J, Adam, S.
登録日2020-07-16
公開日2022-07-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Unusual peptide-binding proteins guide pyrroloindoline alkaloid formation in crocagin biosynthesis.
Nat.Chem., 15, 2023
6TET
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BU of 6tet by Molmil
The structure of CYP121 in complex with inhibitor L21
分子名称: 1,2-ETHANEDIOL, 1-[(~{E})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole, Mycocyclosin synthase, ...
著者Adam, S, Koehnke, J.
登録日2019-11-12
公開日2021-05-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49986887 Å)
主引用文献Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors.
Chemmedchem, 16, 2021
6TEV
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BU of 6tev by Molmil
The structure of CYP121 in complex with inhibitor L44
分子名称: 1,2-ETHANEDIOL, 1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole, Mycocyclosin synthase, ...
著者Adam, S, Koehnke, J.
登録日2019-11-12
公開日2021-05-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.70001268 Å)
主引用文献Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors.
Chemmedchem, 16, 2021
6TE7
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BU of 6te7 by Molmil
The structure of CYP121 in complex with inhibitor S2
分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol, Mycocyclosin synthase, ...
著者Adam, S, Koehnke, J.
登録日2019-11-11
公開日2021-05-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.50001824 Å)
主引用文献Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors.
Chemmedchem, 16, 2021
5LHK
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BU of 5lhk by Molmil
Bottromycin maturation enzyme BotP in complex with Mn
分子名称: BICARBONATE ION, Leucine aminopeptidase 2, chloroplastic, ...
著者Koehnke, J, Adam, S.
登録日2016-07-12
公開日2016-10-05
最終更新日2016-12-14
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structure and Substrate Recognition of the Bottromycin Maturation Enzyme BotP.
Chembiochem, 17, 2016
8A29
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BU of 8a29 by Molmil
Apo 1-deoxy-D-xylulose 5-phosphate synthase from Pseudomonas aeruginosa
分子名称: 1-deoxy-D-xylulose-5-phosphate synthase, CALCIUM ION, CHLORIDE ION, ...
著者Hamid, R, Adam, S, Lacour, A, Monjas, L, Hirsch, A.
登録日2022-06-02
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献1-deoxy-D-xylulose-5-phosphate synthase from Pseudomonas aeruginosa and Klebsiella pneumoniae reveals conformational changes upon cofactor binding.
J.Biol.Chem., 299, 2023
1FBZ
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BU of 1fbz by Molmil
Structure-based design of a novel, osteoclast-selective, nonpeptide Src SH2 inhibitor with in vivo anti-resorptive activity
分子名称: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK, {4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID
著者Shakespeare, W, Yang, M, Bohacek, R, Cerasoli, F, Stebbis, K, Sundaramoorthi, R, Vu, C, Pradeepan, S, Metcalf, C, Haraldson, C, Merry, T, Dalgarno, D, Narula, S, Hatada, M, Lu, X, Van Schravendijk, M.R, Adams, S, Violette, S, Smith, J, Guan, W, Bartlett, C, Herson, J, Iuliucci, J, Weigele, M, Sawyer, T.
登録日2000-07-17
公開日2000-08-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design of an osteoclast-selective, nonpeptide src homology 2 inhibitor with in vivo antiresorptive activity.
Proc.Natl.Acad.Sci.Usa, 97, 2000
1AGB
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BU of 1agb by Molmil
ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGRKKYKL-3R MUTATION)
分子名称: B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGRKKYKL - 3R MUTATION)
著者Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y.
登録日1997-03-24
公開日1997-06-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
1AGC
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BU of 1agc by Molmil
ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKKYQL-7Q MUTATION)
分子名称: B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGKKKYQL - 7Q MUTATION)
著者Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y.
登録日1997-03-24
公開日1997-06-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
1AGF
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BU of 1agf by Molmil
ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKRYKL-5R MUTATION)
分子名称: B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGKKRYKL - 5R MUTATION)
著者Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y.
登録日1997-03-24
公開日1997-06-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
1AGE
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BU of 1age by Molmil
ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKKYRL-7R MUTATION)
分子名称: B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGKKKYRL - 7R MUTATION)
著者Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y.
登録日1997-03-24
公開日1997-06-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
1AGD
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BU of 1agd by Molmil
ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKKYKL-INDEX PEPTIDE)
分子名称: B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGKKKYKL - INDEX PEPTIDE)
著者Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y.
登録日1997-03-24
公開日1997-06-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
1DMJ
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BU of 1dmj by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 5,6-CYCLIC-TETRAHYDROPTERIDINE
分子名称: 7-AMINO-3,3A,4,5-TETRAHYDRO-8H-2-OXA-5,6,8,9B-TETRAAZA-CYCLOPENTA[A]NAPHTHALENE-1,9-DIONE, ACETATE ION, CACODYLATE ION, ...
著者Kotsonis, P, Frohlich, L.G, Raman, C.S, Li, H, Berg, M, Gerwig, R, Groehn, V, Kang, Y, Al-Masoudi, N, Taghavi-Moghadam, S, Mohr, D, Munch, U, Schnabel, J, Martasek, P, Masters, B.S, Strobel, H, Poulos, T, Matter, H, Pfleiderer, W, Schmidt, H.H.
登録日1999-12-14
公開日2000-12-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin
J.Biol.Chem., 276, 2001
1DMK
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BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 4-AMINO-6-PHENYL-TETRAHYDROPTERIDINE
分子名称: 2,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINE, ACETATE ION, CACODYLATE ION, ...
著者Kotsonis, P, Frohlich, L.G, Raman, C.S, Li, H, Berg, M, Gerwig, R, Groehn, V, Kang, Y, Al-Masoudi, N, Taghavi-Moghadam, S, Mohr, D, Munch, U, Schnabel, J, Martasek, P, Masters, B.S, Strobel, H, Poulos, T, Matter, H, Pfleiderer, W, Schmidt, H.H.
登録日1999-12-14
公開日2000-12-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin
J.Biol.Chem., 276, 2001
1Y7V
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BU of 1y7v by Molmil
X-ray structure of human acid-beta-glucosidase covalently bound to conduritol B epoxide
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, ...
著者Premkumar, L, Sawkar, A.R, Boldin-Adamsky, S, Toker, L, Silman, I, Kelly, J.W, Futerman, A.H, Sussman, J.L, Israel Structural Proteomics Center (ISPC)
登録日2004-12-10
公開日2005-04-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-ray structure of human acid-beta-glucosidase covalently bound to conduritol-B-epoxide. Implications for Gaucher disease.
J.Biol.Chem., 280, 2005

 

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