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8AHR
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BU of 8ahr by Molmil
Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense in holo form with PLP
分子名称: Aminotransferase class IV, PYRIDOXAL-5'-PHOSPHATE
著者Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Rakitina, T.V, Popov, V.O, Bezsudnova, E.Y.
登録日2022-07-22
公開日2022-08-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献To the Understanding of Catalysis by D-Amino Acid Transaminases: A Case Study of the Enzyme from Aminobacterium colombiense.
Molecules, 28, 2023
8AHQ
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BU of 8ahq by Molmil
VirD/holo-ACP5b of Streptomyces virginiae complex
分子名称: 1,2-ETHANEDIOL, 4'-PHOSPHOPANTETHEINE, CHLORIDE ION, ...
著者Collin, S, Gruez, A.
登録日2022-07-22
公開日2023-03-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Decrypting the programming of beta-methylation in virginiamycin M biosynthesis.
Nat Commun, 14, 2023
8AHM
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BU of 8ahm by Molmil
Crystal structure of tubulin in complex with C(13)/C(13')-Bis-Desmethyl-Disorazole Z
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Oliva, M.A, Diaz, J.F, Altmann, K.H.
登録日2022-07-22
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Synthesis and Biological Evaluation of C(13)/C(13')-Bis(desmethyl)disorazole Z.
Angew.Chem.Int.Ed.Engl., 62, 2023
8AHG
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BU of 8ahg by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
分子名称: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide
著者Baker, L.M, Murray, J.B, Hubbard, R.E.
登録日2022-07-21
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
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
8AHC
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BU of 8ahc by Molmil
Crystal structure of the BRD9 bromodomain with BI-7189
分子名称: Bromodomain-containing protein 9, [2,6-dimethoxy-4-(1,2,5-trimethyl-6-oxidanylidene-pyridin-3-yl)phenyl]methyl-dimethyl-azanium
著者Bader, G, Boettcher, J, Weiss-Puxbaum, A.
登録日2022-07-21
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.504 Å)
主引用文献Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments.
Chemmedchem, 18, 2023
8AHB
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BU of 8ahb by Molmil
rsEGFP2 photoswitched to its off-state at room temperature and back-switched to its on-state at 100K
分子名称: Green fluorescent protein, SULFATE ION
著者Mantovanelli, A, Adam, V.
登録日2022-07-21
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Photophysical Studies at Cryogenic Temperature Reveal a Novel Photoswitching Mechanism of rsEGFP2.
J.Am.Chem.Soc., 145, 2023
8AHA
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BU of 8aha by Molmil
rsEGFP2 photoswitched to its off-state at 100K
分子名称: Green fluorescent protein, SULFATE ION
著者Mantovanelli, A, Adam, V.
登録日2022-07-21
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Photophysical Studies at Cryogenic Temperature Reveal a Novel Photoswitching Mechanism of rsEGFP2.
J.Am.Chem.Soc., 145, 2023
8AH3
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BU of 8ah3 by Molmil
DG04279 glycoside hydrolase family 172
分子名称: CALCIUM ION, DG02479 GH127
著者Al-Jourani, O, Lowe, E.C, Basle, A.
登録日2022-07-20
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Mining the human gut microbiome identifies mycobacterial D-arabinan degrading enzymes
To Be Published
8AH1
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BU of 8ah1 by Molmil
BK Polyomavirus VP1 mutant N-Q
分子名称: CHLORIDE ION, GLYCEROL, Major capsid protein VP1
著者Sorin, M.N, Di Maio, A, Silva, L.M, Ebert, D, Delannoy, C, Nguyen, N.-K, Guerardel, Y, Chai, W, Halary, F, Renaudin-Autain, K, Liu, Y, Bressollette-Bodin, C, Stehle, T, McIlroy, D.
登録日2022-07-20
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Structural and functional analysis of natural capsid variants suggests sialic acid-independent entry of BK polyomavirus.
Cell Rep, 42, 2023
8AH0
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BU of 8ah0 by Molmil
BK Polyomavirus VP1 mutant VQQ
分子名称: CHLORIDE ION, GLYCEROL, Major capsid protein VP1
著者Sorin, M.N, Di Maio, A, Silva, L.M, Ebert, D, Delannoy, C, Nguyen, N.-K, Guerardel, Y, Chai, W, Halary, F, Renaudin-Autain, K, Liu, Y, Bressollette-Bodin, C, Stehle, T, McIlroy, D.
登録日2022-07-20
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Structural and functional analysis of natural capsid variants suggests sialic acid-independent entry of BK polyomavirus.
Cell Rep, 42, 2023
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
8AGO
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BU of 8ago by Molmil
BK Polyomavirus VP1 mutant E73Q
分子名称: CHLORIDE ION, GLYCEROL, Major capsid protein VP1
著者Sorin, M.N, Di Maio, A, Silva, L.M, Ebert, D, Delannoy, C, Nguyen, N.-K, Guerardel, Y, Chai, W, Halary, F, Renaudin-Autain, K, Liu, Y, Bressollette-Bodin, C, Stehle, T, McIlroy, D.
登録日2022-07-20
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Structural and functional analysis of natural capsid variants suggests sialic acid-independent entry of BK polyomavirus.
Cell Rep, 42, 2023
8AGL
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BU of 8agl by Molmil
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with JMC31
分子名称: 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide, Heat shock protein HSP 90-alpha
著者Tassone, G, Pozzi, C, Mazzorana, M, Mangani, S, Maramai, S.
登録日2022-07-20
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Characterization of Human Heat Shock Protein 90 N-Terminal Domain and Its Variants K112R and K112A in Complex with a Potent 1,2,3-Triazole-Based Inhibitor.
Int J Mol Sci, 23, 2022
8AGJ
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BU of 8agj by Molmil
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex with JMC31
分子名称: 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide, Heat shock protein HSP 90-alpha
著者Tassone, G, Pozzi, C, Mazzorana, M, Mangani, S, Maramai, S.
登録日2022-07-20
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural Characterization of Human Heat Shock Protein 90 N-Terminal Domain and Its Variants K112R and K112A in Complex with a Potent 1,2,3-Triazole-Based Inhibitor.
Int J Mol Sci, 23, 2022
8AGI
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BU of 8agi by Molmil
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) in complex with JMC31
分子名称: 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide, Heat shock protein HSP 90-alpha
著者Tassone, G, Pozzi, C, Mazzorana, M, Mangani, S, Maramai, S.
登録日2022-07-20
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Characterization of Human Heat Shock Protein 90 N-Terminal Domain and Its Variants K112R and K112A in Complex with a Potent 1,2,3-Triazole-Based Inhibitor.
Int J Mol Sci, 23, 2022
8AGH
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BU of 8agh by Molmil
BK Polyomavirus VP1 mutant E73A
分子名称: CHLORIDE ION, GLYCEROL, Major capsid protein VP1
著者Sorin, M.N, Di Maio, A, Silva, L.M, Ebert, D, Delannoy, C, Nguyen, N.-K, Guerardel, Y, Chai, W, Halary, F, Renaudin-Autain, K, Liu, Y, Bressollette-Bodin, C, Stehle, T, McIlroy, D.
登録日2022-07-20
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.887 Å)
主引用文献Structural and functional analysis of natural capsid variants suggests sialic acid-independent entry of BK polyomavirus.
Cell Rep, 42, 2023
8AGD
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BU of 8agd by Molmil
Full SDBC and SOD assembly
分子名称: (3~{S},5~{R},6~{R})-5-[(3~{S},7~{R},12~{S},16~{S},20~{S})-3,7,12,16,20,24-hexamethyl-24-oxidanyl-pentacosyl]-4,4,6-trimethyl-cyclohexane-1,3-diol, COPPER (II) ION, FE (III) ION, ...
著者Farci, D, Graca, A.T, Piano, D.
登録日2022-07-19
公開日2023-04-12
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The SDBC is active in quenching oxidative conditions and bridges the cell envelope layers in Deinococcus radiodurans.
J.Biol.Chem., 299, 2023
8AG6
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BU of 8ag6 by Molmil
human MutSalpha (MSH2/MSH6) binding to DNA with a GT mismatch
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (50-MER), DNA mismatch repair protein Msh2, ...
著者Bruekner, S.R, Sixma, T.K.
登録日2022-07-19
公開日2023-01-25
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Unexpected moves: a conformational change in MutS alpha enables high-affinity DNA mismatch binding.
Nucleic Acids Res., 51, 2023
8AG2
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BU of 8ag2 by Molmil
Crystal structure of the BPTF bromodomain in complex with BI-7190
分子名称: 5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one, Nucleosome-remodeling factor subunit BPTF
著者Bader, G, Boettcher, J, Wolkerstorfer, B.
登録日2022-07-19
公開日2022-08-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.025 Å)
主引用文献Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments.
Chemmedchem, 18, 2023
8AFZ
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BU of 8afz by Molmil
Architecture of the ESCPE-1 membrane coat
分子名称: Cation-independent mannose-6-phosphate receptor, Sorting nexin-1, Sorting nexin-5
著者Lopez-Robles, C, Scaramuzza, S, Astorga-Simon, E, Ishida, M, Williamsom, C.D, Banos-Mateos, S, Gil-Carton, D, Romero, M, Vidaurrazaga, A, Fernandez-Recio, J, Rojas, A.L, Bonifacino, J.S, Castano-Diez, D, Hierro, A.
登録日2022-07-18
公開日2023-06-21
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (10 Å)
主引用文献Architecture of the ESCPE-1 membrane coat.
Nat.Struct.Mol.Biol., 30, 2023
8AFR
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BU of 8afr by Molmil
Pim1 in complex with 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid and Pimtide
分子名称: 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid, Pimtide, Serine/threonine-protein kinase pim-1
著者Hochban, P.M.M, Heine, A, Diederich, W.E.
登録日2022-07-18
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
8AFN
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BU of 8afn by Molmil
Small molecule stabilizer (compound 1) for ERalpha and 14-3-3
分子名称: 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, Estrogen receptor, ...
著者Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R.
登録日2022-07-18
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
8AFK
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BU of 8afk by Molmil
Structure of iRFP variant C15S/N136R/V256C in complex with phycocyanobilin
分子名称: Near-infrared fluorescent protein, PHYCOCYANOBILIN
著者Remeeva, A, Kovalev, K, Gushchin, I, Fonin, A, Turoverov, K, Stepanenko, O.
登録日2022-07-18
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.015 Å)
主引用文献Structure of iRFP variant C15S/N136R/V256C in complex with phycocyanobilin
To Be Published
8AFJ
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tRNA modifying enzyme MiaE soaked in Na-dithionite in a glovebox and flash-cooled using a miniature-airlock
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者van der Linden, P, Engilberge, S, Atta, M, Carpentier, P.
登録日2022-07-18
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献tRNA modifying enzyme MiaE soaked in Na-dithionite in a glovebox and flash-cooled using a miniature-airlock
To Be Published

223790

件を2024-08-14に公開中

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