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6LJ2
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BU of 6lj2 by Molmil
Crystal structure of NDM-1 in complex with heterodimer of D-captopril derivative wss02127 stereoisomer
分子名称: (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, (1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, HYDROXIDE ION, ...
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ5
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BU of 6lj5 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss04145
分子名称: 1,2-ETHANEDIOL, 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ0
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BU of 6lj0 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss02122
分子名称: (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ4
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BU of 6lj4 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss04146
分子名称: (3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ6
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BU of 6lj6 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss05008
分子名称: 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ8
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BU of 6lj8 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss04134
分子名称: 1,2-ETHANEDIOL, 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LIP
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BU of 6lip by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss0218
分子名称: (2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-12
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LIZ
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BU of 6liz by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss02120
分子名称: (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ7
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BU of 6lj7 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss05010
分子名称: 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6KVG
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BU of 6kvg by Molmil
The solution structure of human Orc6
分子名称: Origin recognition complex subunit 6
著者Liu, C, Xu, N, You, Y, Zhu, G.
登録日2019-09-04
公開日2020-09-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis of DNA replication origin recognition by human Orc6 protein binding with DNA.
Nucleic Acids Res., 48, 2020
2HDZ
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BU of 2hdz by Molmil
Crystal Structure Analysis of the UBF HMG box5
分子名称: Nucleolar transcription factor 1
著者Rong, H, Teng, M.K, Niu, L.W.
登録日2006-06-21
公開日2007-06-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of human upstream binding factor HMG box 5 and site for binding of the cell-cycle regulatory factor TAF1
Acta Crystallogr.,Sect.D, 63, 2007
8QZZ
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BU of 8qzz by Molmil
Crystal structure of human eIF2 alpha-gamma complexed with PPP1R15A_420-452
分子名称: Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 3, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Yan, Y, Ron, D.
登録日2023-10-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Substrate recruitment via eIF2 gamma enhances catalytic efficiency of a holophosphatase that terminates the integrated stress response.
Proc.Natl.Acad.Sci.USA, 121, 2024
2NZ0
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BU of 2nz0 by Molmil
Crystal structure of potassium channel Kv4.3 in complex with its regulatory subunit KChIP1
分子名称: CALCIUM ION, Kv channel-interacting protein 1, Potassium voltage-gated channel subfamily D member 3, ...
著者Wang, H, Yan, Y, Shen, Y, Chen, L, Wang, K.
登録日2006-11-22
公開日2006-12-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for modulation of Kv4 K(+) channels by auxiliary KChIP subunits.
Nat.Neurosci., 10, 2007
3FE5
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BU of 3fe5 by Molmil
Crystal structure of 3-hydroxyanthranilate 3,4-dioxygenase from bovine kidney
分子名称: 3-hydroxyanthranilate 3,4-dioxygenase, FE (III) ION
著者Dilovic, I, Gliubich, F, Malpeli, G, Zanotti, G, Matkovic-Calogovic, D.
登録日2008-11-27
公開日2009-06-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Crystal structure of bovine 3-hydroxyanthranilate 3,4-dioxygenase.
Biopolymers, 2009
3NR4
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BU of 3nr4 by Molmil
Pyrabactin-bound PYL2
分子名称: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL2
著者Yan, N.
登録日2010-06-30
公開日2010-07-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Single amino acid alteration between Valine and Isoleucine determines the distinct pyrabactin selectivity by PYL1 and PYL2
J.Biol.Chem., 285, 2010
5H3I
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BU of 5h3i by Molmil
Crystal Structure of Oryza sativa Acyl-CoA-Binding Protein 2
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Putative Acyl-CoA-binding protein
著者Kong, G.K.W, Guo, Z.-H.
登録日2016-10-24
公開日2017-05-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献The first plant acyl-CoA-binding protein structures: the close homologues OsACBP1 and OsACBP2 from rice
Acta Crystallogr D Struct Biol, 73, 2017
5H3G
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BU of 5h3g by Molmil
Crystal Structure of Oryza sativa Acyl-CoA-Binding Protein 1
分子名称: CHLORIDE ION, GLYCEROL, Putative Acyl-CoA binding protein (ACBP)
著者Kong, G.K.W, Chan, W.H.Y.
登録日2016-10-24
公開日2017-05-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The first plant acyl-CoA-binding protein structures: the close homologues OsACBP1 and OsACBP2 from rice
Acta Crystallogr D Struct Biol, 73, 2017
6LI6
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BU of 6li6 by Molmil
Crystal structure of MCR-1-S treated by Au(PEt3)Cl
分子名称: GOLD ION, Probable phosphatidylethanolamine transferase Mcr-1, TRIETHYLPHOSPHANE
著者Zhang, Q, Wang, M, Sun, H.
登録日2019-12-10
公開日2020-09-16
最終更新日2020-10-28
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
7CGC
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BU of 7cgc by Molmil
Silver-bound E. coli Malate dehydrogenase (C113 and C251)
分子名称: Malate dehydrogenase, SILVER ION
著者Wang, H, Wang, M, Sun, H.
登録日2020-07-01
公開日2020-09-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.548 Å)
主引用文献Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm.
Chem Sci, 11, 2020
7CGD
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BU of 7cgd by Molmil
Silver-bound E.coli malate dehydrogenase
分子名称: Malate dehydrogenase, SILVER ION
著者Wang, H, Wang, M, Sun, H.
登録日2020-07-01
公開日2020-09-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm.
Chem Sci, 11, 2020
3RIG
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BU of 3rig by Molmil
Sirt5 is an NAD-dependent protein lysine demalonylase and desuccinylase
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, NAD-dependent deacetylase sirtuin-5, ZINC ION, ...
著者Zhou, Y.
登録日2011-04-13
公開日2011-11-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Sirt5 is a NAD-dependent protein lysine demalonylase and desuccinylase
Science, 334, 2011
6IO6
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BU of 6io6 by Molmil
Silver-bound Glyceraldehyde-3-phosphate dehydrogenase A at non-catalytic site
分子名称: Glyceraldehyde-3-phosphate dehydrogenase A, SILVER ION
著者Wang, H, Sun, H, Wang, M.
登録日2018-10-29
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Antimicrobial silver targets glyceraldehyde-3-phosphate dehydrogenase in glycolysis ofE. coli.
Chem Sci, 10, 2019
7FFM
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BU of 7ffm by Molmil
Human serum transferrin with five osmium binding sites
分子名称: MALONATE ION, NITRILOTRIACETIC ACID, OSMIUM ION, ...
著者Wang, M, Sun, H.
登録日2021-07-23
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Binding of ruthenium and osmium at non‐iron sites of transferrin accounts for their iron-independent cellular uptake.
J.Inorg.Biochem., 234, 2022
7FFU
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BU of 7ffu by Molmil
Osmium-bound human serum transferrin
分子名称: FE (III) ION, MALONATE ION, OSMIUM ION, ...
著者Wang, M, Sun, H.
登録日2021-07-23
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Binding of ruthenium and osmium at non‐iron sites of transferrin accounts for their iron-independent cellular uptake.
J.Inorg.Biochem., 234, 2022
6IO4
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BU of 6io4 by Molmil
Silver-bound Glyceraldehyde-3-phosphate dehydrogenase A
分子名称: Glyceraldehyde-3-phosphate dehydrogenase A, SILVER ION
著者Wang, H, Sun, H, Wang, M.
登録日2018-10-29
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Antimicrobial silver targets glyceraldehyde-3-phosphate dehydrogenase in glycolysis ofE. coli.
Chem Sci, 10, 2019

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