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7AHL
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BU of 7ahl by Molmil
ALPHA-HEMOLYSIN FROM STAPHYLOCOCCUS AUREUS
分子名称: ALPHA-HEMOLYSIN
著者Song, L, Hobaugh, M, Shustak, C, Cheley, S, Bayley, H, Gouaux, J.E.
登録日1996-12-02
公開日1998-01-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure of staphylococcal alpha-hemolysin, a heptameric transmembrane pore.
Science, 274, 1996
2QDY
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BU of 2qdy by Molmil
Crystal Structure of Fe-type NHase from Rhodococcus erythropolis AJ270
分子名称: 2-METHYLPROPAN-1-AMINE, CHLORIDE ION, FE (III) ION, ...
著者Song, L, Shi, J, Xue, Z, Wang, M.-X, Qian, S.
登録日2007-06-22
公開日2008-05-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献High resolution X-ray molecular structure of the nitrile hydratase from Rhodococcus erythropolis AJ270 reveals posttranslational oxidation of two cysteines into sulfinic acids and a novel biocatalytic nitrile hydration mechanism
Biochem.Biophys.Res.Commun., 362, 2007
5YH5
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BU of 5yh5 by Molmil
The crystal structure of Staphylococcus aureus CntA in apo form
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nickel ABC transporter substrate-binding protein
著者Song, L, Ji, Q.
登録日2017-09-27
公開日2018-03-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Mechanistic insights into staphylopine-mediated metal acquisition
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5YHE
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BU of 5yhe by Molmil
The crystal structure of Staphylococcus aureus CntA in complex with staphylopine and cobalt
分子名称: (2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid, ACETATE ION, CHLORIDE ION, ...
著者Song, L, Ji, Q.
登録日2017-09-28
公開日2018-03-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.465 Å)
主引用文献Mechanistic insights into staphylopine-mediated metal acquisition
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5NQ5
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BU of 5nq5 by Molmil
Mtb TMK crystal structure in complex with compound 1
分子名称: 5-methyl-1-[(3~{S})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione, Thymidylate kinase
著者Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.
登録日2017-04-19
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors.
J. Med. Chem., 61, 2018
5NR7
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BU of 5nr7 by Molmil
Mtb TMK crystal structure in complex with compound 43
分子名称: 1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase
著者Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.
登録日2017-04-22
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors.
J. Med. Chem., 61, 2018
2P8C
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BU of 2p8c by Molmil
Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579 complexed with N-succinyl Arg.
分子名称: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein, N~2~-(3-CARBOXYPROPANOYL)-L-ARGININE
著者Fedorov, A.A, Song, L, Fedorov, E.V, Gerlt, J.A, Almo, S.C.
登録日2007-03-22
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Prediction and assignment of function for a divergent N-succinyl amino acid racemase.
Nat.Chem.Biol., 3, 2007
2P88
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BU of 2p88 by Molmil
Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579
分子名称: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein
著者Fedorov, A.A, Song, L, Fedorov, E.V, Gerlt, J.A, Almo, S.C.
登録日2007-03-22
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Prediction and assignment of function for a divergent N-succinyl amino acid racemase.
Nat.Chem.Biol., 3, 2007
2P8B
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BU of 2p8b by Molmil
Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579 complexed with N-succinyl Lys.
分子名称: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein, N-SUCCINYL LYSINE
著者Fedorov, A.A, Song, L, Fedorov, E.V, Gerlt, J.A, Almo, S.C.
登録日2007-03-22
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Prediction and assignment of function for a divergent N-succinyl amino acid racemase.
Nat.Chem.Biol., 3, 2007
5YHG
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BU of 5yhg by Molmil
The crystal structure of Staphylococcus aureus CntA in complex with staphylopine and zinc
分子名称: (2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid, ACETATE ION, CHLORIDE ION, ...
著者Ji, Q, Song, L.
登録日2017-09-28
公開日2018-03-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Mechanistic insights into staphylopine-mediated metal acquisition
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5YH8
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BU of 5yh8 by Molmil
The crystal structure of Staphylococcus aureus CntA in complex with staphylopine and nickel
分子名称: (2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Ji, Q, Song, L.
登録日2017-09-27
公開日2018-03-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Mechanistic insights into staphylopine-mediated metal acquisition
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2W03
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BU of 2w03 by Molmil
Co-complex Structure of Achromobactin Synthetase Protein D (AcsD) with adenosine, sulfate and citrate from Pectobacterium Chrysanthemi
分子名称: ACSD, ADENOSINE, CITRIC ACID, ...
著者Schmelz, S, McMahon, S.A, Kadi, N, Song, L, Oves-Costales, D, Oke, M, Liu, H, Johnson, K.A, Carter, L, White, M.F, Challis, G.L, Naismith, J.H.
登録日2008-08-08
公開日2009-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Acsd Catalyzes Enantioselective Citrate Desymmetrization in Siderophore Biosynthesis
Nat.Chem.Biol., 5, 2009
2W04
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BU of 2w04 by Molmil
Co-complex Structure of Achromobactin Synthetase Protein D (AcsD) with citrate in ATP binding site from Pectobacterium Chrysanthemi
分子名称: ACSD, CITRATE ANION
著者Schmelz, S, McMahon, S.A, Kadi, N, Song, L, Oves-Costales, D, Oke, M, Liu, H, Johnson, K.A, Carter, L, White, M.F, Challis, G.L, Naismith, J.H.
登録日2008-08-08
公開日2009-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Acsd Catalyzes Enantioselective Citrate Desymmetrization in Siderophore Biosynthesis
Nat.Chem.Biol., 5, 2009
8B56
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BU of 8b56 by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GD-9
分子名称: (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5, BROMIDE ION, ...
著者Straeter, N, Muller, C.E, Claff, T, Sylvester, K, Weisse, R, Gao, S, Song, L, Liu, X, Zhan, P.
登録日2022-09-21
公開日2023-08-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.823 Å)
主引用文献Discovery and Crystallographic Studies of Nonpeptidic Piperazine Derivatives as Covalent SARS-CoV-2 Main Protease Inhibitors.
J.Med.Chem., 65, 2022
5NRN
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BU of 5nrn by Molmil
Mtb TMK crystal structure in complex with compound 3
分子名称: 5-methyl-1-[1-[(6-phenoxypyridin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase
著者Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.
登録日2017-04-25
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mtb TMK crystal structure in complex with compound LS3080
To Be Published
5NRQ
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BU of 5nrq by Molmil
Mtb TMK crystal structure in complex with compound 33
分子名称: 1-[1-[[5-(3-chloranylphenoxy)pyridin-3-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase
著者Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.
登録日2017-04-25
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mtb TMK crystal structure in complex with compound LS3112
To Be Published
2W02
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BU of 2w02 by Molmil
Co-complex Structure of Achromobactin Synthetase Protein D (AcsD) with ATP from Pectobacterium Chrysanthemi
分子名称: ACSD, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Schmelz, S, McMahon, S.A, Kadi, N, Song, L, Oves-Costales, D, Oke, M, Liu, H, Johnson, K.A, Carter, L, White, M.F, Challis, G.L, Naismith, J.H.
登録日2008-08-08
公開日2009-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献AcsD catalyzes enantioselective citrate desymmetrization in siderophore biosynthesis.
Nat. Chem. Biol., 5, 2009
1LDJ
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BU of 1ldj by Molmil
Structure of the Cul1-Rbx1-Skp1-F boxSkp2 SCF Ubiquitin Ligase Complex
分子名称: Cullin homolog 1, ZINC ION, ring-box protein 1
著者Zheng, N, Schulman, B.A, Song, L, Miller, J.J, Jeffrey, P.D, Wang, P, Chu, C, Koepp, D.M, Elledge, S.J, Pagano, M, Conaway, R.C, Conaway, J.W, Harper, J.W, Pavletich, N.P.
登録日2002-04-08
公開日2002-05-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the Cul1-Rbx1-Skp1-F boxSkp2 SCF ubiquitin ligase complex.
Nature, 416, 2002
1LDD
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BU of 1ldd by Molmil
Structure of the Cul1-Rbx1-Skp1-F boxSkp2 SCF Ubiquitin Ligase Complex
分子名称: Anaphase Promoting Complex
著者Zheng, N, Schulman, B.A, Song, L, Miller, J.J, Jeffrey, P.D, Wang, P, Chu, C, Koepp, D.M, Elledge, S.J, Pagano, M, Conaway, R.C, Conaway, J.W, Harper, J.W, Pavletich, N.P.
登録日2002-04-08
公開日2002-05-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the Cul1-Rbx1-Skp1-F boxSkp2 SCF ubiquitin ligase complex.
Nature, 416, 2002
1LDK
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BU of 1ldk by Molmil
Structure of the Cul1-Rbx1-Skp1-F boxSkp2 SCF Ubiquitin Ligase Complex
分子名称: CULLIN HOMOLOG, CYCLIN A/CDK2-ASSOCIATED PROTEIN P19, SKP2-like protein type gamma, ...
著者Zheng, N, Schulman, B.A, Song, L, Miller, J.J, Jeffrey, P.D, Wang, P, Chu, C, Koepp, D.M, Elledge, S.J, Pagano, M, Conaway, R.C, Conaway, J.W, Harper, J.W, Pavletich, N.P.
登録日2002-04-08
公開日2002-05-08
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of the Cul1-Rbx1-Skp1-F boxSkp2 SCF ubiquitin ligase complex.
Nature, 416, 2002
5INI
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BU of 5ini by Molmil
Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics
分子名称: HEXANOYL-COENZYME A, Putative carboxyl transferase
著者Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Milligan, J.C, Osada, H, Tsai, S.C, Challis, G.L.
登録日2016-03-07
公開日2016-12-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units.
Nat Commun, 7, 2016
5ING
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BU of 5ing by Molmil
A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender unit
分子名称: Putative carboxyl transferase
著者Valentic, T.R, Ray, L, Miyazawa, T, Song, L, Withall, D.M, Milligan, J.C, Takahashi, S, Osada, H, Tsai, S.C, Challis, G.L.
登録日2016-03-07
公開日2016-12-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units.
Nat Commun, 7, 2016
5INF
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BU of 5inf by Molmil
Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics
分子名称: Carboxyl transferase, HEXANOYL-COENZYME A
著者Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Osada, H, Tsai, S.C, Challis, G.L.
登録日2016-03-07
公開日2016-12-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.751 Å)
主引用文献A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units.
Nat Commun, 7, 2016
3L9I
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BU of 3l9i by Molmil
Myosin VI nucleotide-free (mdinsert2) L310G mutant crystal structure
分子名称: ACETATE ION, CALCIUM ION, Calmodulin, ...
著者Pylypenko, O, Song, L, Sweeney, L.H, Houdusse, A.
登録日2010-01-05
公開日2010-12-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Role of insert i of myosin VI in modulating nucleotide affinity
To be Published
3RIT
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BU of 3rit by Molmil
Crystal structure of Dipeptide Epimerase from Methylococcus capsulatus complexed with Mg and dipeptide L-Arg-D-Lys
分子名称: ARGININE, D-LYSINE, Dipeptide epimerase, ...
著者Lukk, T, Sakai, A, Song, L, Gerlt, J.A, Nair, S.K.
登録日2011-04-14
公開日2011-04-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012

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