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8B4J
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BU of 8b4j by Molmil
Rfa1-N-terminal domain in complex with phosphorylated Ddc2
分子名称: 1,2-ETHANEDIOL, DNA damage checkpoint protein LCD1, Replication factor A protein 1, ...
著者Yates, L.A, Zhang, X.
登録日2022-09-20
公開日2023-09-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献A DNA damage-induced phosphorylation circuit enhances Mec1 ATR Ddc2 ATRIP recruitment to Replication Protein A.
Proc.Natl.Acad.Sci.USA, 120, 2023
1YF1
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BU of 1yf1 by Molmil
Structural and biochemical analysis of the link between enzymatic activity and oligomerization in AhpC, a bacterial peroxiredoxin.
分子名称: Alkyl hydroperoxide reductase subunit C, SODIUM ION
著者Parsonage, D, Youngblood, D.S, Sarma, G.N, Wood, Z.A, Karplus, P.A, Poole, L.B.
登録日2004-12-29
公開日2005-08-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Analysis of the Link between Enzymatic Activity and Oligomeric State in AhpC, a Bacterial Peroxiredoxin.
Biochemistry, 44, 2005
6YRI
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BU of 6yri by Molmil
THE CRYSTAL STRUCTURE OF THE COMPLEX OF HCAII WITH CAFFEIC ACID
分子名称: CAFFEIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
著者D'Ambrosio, K, De Simone, G.
登録日2020-04-20
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Catechols: a new class of carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 56, 2020
1FEW
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BU of 1few by Molmil
CRYSTAL STRUCTURE OF SMAC/DIABLO
分子名称: SECOND MITOCHONDRIA-DERIVED ACTIVATOR OF CASPASES
著者Chai, J, Shi, Y.
登録日2000-07-23
公開日2000-09-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and biochemical basis of apoptotic activation by Smac/DIABLO.
Nature, 406, 2000
8BHX
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BU of 8bhx by Molmil
High resolution structure of the iron Superoxide Dismutase from Thermobifida fusca
分子名称: BORIC ACID, FE (III) ION, Superoxide dismutase
著者Leiros, H.-K.S, Sorlie, M.
登録日2022-11-01
公開日2023-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Initial characterization of an iron superoxide dismutase from Thermobifida fusca.
J.Biol.Inorg.Chem., 28, 2023
4NNS
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BU of 4nns by Molmil
Crystal structure of FABP4 in complex with novel inhibitor
分子名称: 2,4,6-tri(propan-2-yl)benzenesulfonic acid, Fatty acid-binding protein, adipocyte
著者Liu, Q.F, Chen, T.T, Xu, Y.C.
登録日2013-11-19
公開日2014-11-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献The complex structure of FABP4 with novel inhibitors
To be Published
6BPO
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BU of 6bpo by Molmil
The crystal structure of the Ferric-Catecholate import receptor Fiu from K12 E. coli: Closed form (P1)
分子名称: Catecholate siderophore receptor Fiu, octyl beta-D-glucopyranoside
著者Grinter, R.
登録日2017-11-23
公開日2018-11-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The structure of the bacterial iron-catecholate transporter Fiu suggests that it imports substrates via a two-step mechanism.
J.Biol.Chem., 2019
6YHC
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BU of 6yhc by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
分子名称: 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
3M96
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BU of 3m96 by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
分子名称: 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Grazulis, S, Manakova, E, Golovenko, D.
登録日2010-03-20
公開日2011-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII.
Bioorg.Med.Chem., 18, 2010
6YH8
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BU of 6yh8 by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide
分子名称: 2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
8B46
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BU of 8b46 by Molmil
Crystal structure of the SUN1-KASH6 9:9 complex
分子名称: CHLORIDE ION, Inositol 1,4,5-triphosphate receptor associated 2, POTASSIUM ION, ...
著者Gurusaran, M, Erlandsen, B.S, Davies, O.R.
登録日2022-09-19
公開日2023-09-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The crystal structure of SUN1-KASH6 reveals an asymmetric LINC complex architecture compatible with nuclear membrane insertion.
Commun Biol, 7, 2024
3M9K
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BU of 3m9k by Molmil
Crystal structure of human thioredoxin C69/73S double-mutant, oxidized form
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, SULFATE ION, Thioredoxin
著者Weichsel, A, Montfort, W.R.
登録日2010-03-22
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of human thioredoxin revealing an unraveled helix and exposed S-nitrosation site.
Protein Sci., 19, 2010
7AHW
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BU of 7ahw by Molmil
The crystal structure of gene product PA4063 from Pseudomonas aeruginosa
分子名称: Uncharacterized protein
著者Fiorillo, A, Ilari, A.
登録日2020-09-25
公開日2021-10-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Structure and metal-binding properties of PA4063, a novel player in periplasmic zinc trafficking by Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
6YH7
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BU of 6yh7 by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 3-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
分子名称: 3-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
6YH5
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BU of 6yh5 by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
分子名称: 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, BENZOIC ACID, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
8B1S
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BU of 8b1s by Molmil
co-crystal of SUDV VP40 with salicylic acid
分子名称: 2-HYDROXYBENZOIC ACID, Matrix protein VP40
著者Werner, A.-D, Krapoth, N, Norris, M.J, Heine, A, Klebe, G, Ollmann Saphire, E, Becker, S.
登録日2022-09-12
公開日2023-09-27
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Development of a Crystallographic Screening to Identify Sudan Virus VP40 Ligands.
Acs Omega, 9, 2024
6YEV
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BU of 6yev by Molmil
Crystal structure of MsrA C206 and Trx C35S complex from Escherichia coli
分子名称: Peptide methionine sulfoxide reductase MsrA, SODIUM ION, Thioredoxin 1
著者Napolitano, S, Zyla, D, Glockshuber, R.
登録日2020-03-25
公開日2021-04-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structure of a complex between the single-cysteine mutant MsrA C206 and Trx C35S from Escherichia coli
To Be Published
6YH9
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BU of 6yh9 by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
分子名称: 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
8B4V
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BU of 8b4v by Molmil
X-ray structure of furin (PCSK3) in complex with benzamidine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, CALCIUM ION, ...
著者Dahms, S.O, Brandstetter, H.
登録日2022-09-21
公開日2023-10-04
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors.
Chemmedchem, 19, 2024
6YHA
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BU of 6yha by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
分子名称: 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
1FIP
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BU of 1fip by Molmil
THE STRUCTURE OF FIS MUTANT PRO61ALA ILLUSTRATES THAT THE KINK WITHIN THE LONG ALPHA-HELIX IS NOT DUE TO THE PRESENCE OF THE PROLINE RESIDUE
分子名称: FACTOR FOR INVERSION STIMULATION (FIS), UNKNOWN PEPTIDE, POSSIBLY PART OF THE UNOBSERVED RESIDUES IN ENTITY 1
著者Yuan, H.S, Wang, S.S, Yang, W.-Z, Finkel, S.E, Johnson, R.C.
登録日1994-09-26
公開日1995-02-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure of Fis mutant Pro61Ala illustrates that the kink within the long alpha-helix is not due to the presence of the proline residue.
J.Biol.Chem., 269, 1994
6YHB
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BU of 6yhb by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide
分子名称: 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
8B4K
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Rfa1-N-terminal domain in complex with phosphorylated Ddc2
分子名称: Replication factor A protein 1
著者Yates, L.A, Zhang, X.
登録日2022-09-20
公開日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A DNA damage-induced phosphorylation circuit enhances Mec1 ATR Ddc2 ATRIP recruitment to Replication Protein A.
Proc.Natl.Acad.Sci.USA, 120, 2023
6YH4
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BU of 6yh4 by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
分子名称: 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
4GZ9
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BU of 4gz9 by Molmil
Mouse Neuropilin-1, extracellular domains 1-4 (a1a2b1b2)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Janssen, B.J.C, Malinauskas, T, Siebold, C, Jones, E.Y.
登録日2012-09-06
公開日2012-10-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Neuropilins lock secreted semaphorins onto plexins in a ternary signaling complex.
Nat.Struct.Mol.Biol., 19, 2012

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