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5GYK
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BU of 5gyk by Molmil
Crystal Structure of Mdm12-deletion mutant
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Mitochondrial distribution and morphology protein 12
著者Jeong, H, Park, J, Lee, C.
登録日2016-09-22
公開日2016-11-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.596 Å)
主引用文献Crystal structure of Mdm12 reveals the architecture and dynamic organization of the ERMES complex
EMBO Rep., 17, 2016
7QU7
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BU of 7qu7 by Molmil
ATAD2 in complex with FragLite16
分子名称: 1,2-ETHANEDIOL, 4-bromanyl-1,8-naphthyridine, ATPase family AAA domain-containing protein 2, ...
著者Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
登録日2022-01-17
公開日2022-11-23
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7PEB
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BU of 7peb by Molmil
cryo-EM structure of DEPTOR bound to human mTOR complex 1, focussed on one protomer
分子名称: DEP domain-containing mTOR-interacting protein, INOSITOL HEXAKISPHOSPHATE, Regulatory-associated protein of mTOR, ...
著者Waelchli, M, Maier, T.
登録日2021-08-09
公開日2021-09-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
7PEA
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BU of 7pea by Molmil
cryo-EM structure of DEPTOR bound to human mTOR complex 1, overall refinement
分子名称: DEP domain-containing mTOR-interacting protein, INOSITOL HEXAKISPHOSPHATE, Regulatory-associated protein of mTOR, ...
著者Waelchli, M, Maier, T.
登録日2021-08-09
公開日2021-09-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.07 Å)
主引用文献Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
7PEC
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BU of 7pec by Molmil
cryo-EM structure of DEPTOR bound to human mTOR complex 1, DEPt-bound subset local refinement
分子名称: DEP domain-containing mTOR-interacting protein, INOSITOL HEXAKISPHOSPHATE, Regulatory-associated protein of mTOR, ...
著者Waelchli, M, Maier, T.
登録日2021-08-09
公開日2021-09-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.24 Å)
主引用文献Regulation of human mTOR complexes by DEPTOR.
Elife, 10, 2021
6YGA
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BU of 6yga by Molmil
Crystal structure of the apo NatC complex
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Grunwald, S, Hopf, L, Bock-Bierbaum, T, Lally, C.C, Spahn, C.M.T, Daumke, O.
登録日2020-03-27
公開日2020-10-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.397 Å)
主引用文献Divergent architecture of the heterotrimeric NatC complex explains N-terminal acetylation of cognate substrates.
Nat Commun, 11, 2020
4WMW
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BU of 4wmw by Molmil
The structure of MBP-MCL1 bound to ligand 5 at 1.9A
分子名称: 1,2-ETHANEDIOL, 2-hydroxy-5-(methylsulfanyl)benzoic acid, FORMIC ACID, ...
著者Clifton, M.C, Dranow, D.M.
登録日2014-10-09
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
6HCN
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BU of 6hcn by Molmil
Adenovirus Type 5 Fiber Knob protein at 1.49A resolution
分子名称: 1,2-ETHANEDIOL, Fiber protein, MAGNESIUM ION
著者Rizkallah, P.J, Parker, A.L, Baker, A.T.
登録日2018-08-15
公開日2019-02-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Diversity within the adenovirus fiber knob hypervariable loops influences primary receptor interactions.
Nat Commun, 10, 2019
8RHQ
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BU of 8rhq by Molmil
Crystal structure of HLA-A*11:01 in complex with SVLNDIFSRL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984)
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ...
著者Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S.
登録日2023-12-16
公開日2024-05-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific.
Curr Res Struct Biol, 7, 2024
6W5L
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BU of 6w5l by Molmil
2.1 A resolution structure of Norovirus 3CL protease in complex with inhibitor 7g
分子名称: (2~{S})-~{N}-[(1~{R})-1-[bis($l^{1}-oxidanyl)-methoxy-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[[2-(3-chlorophenyl)-2-methyl-propoxy]-oxidanylidene-methyl]amino]-4-methyl-pentanamide, 3C-LIKE PROTEASE
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C.
登録日2020-03-13
公開日2020-09-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease.
J.Med.Chem., 63, 2020
6PYU
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BU of 6pyu by Molmil
Human PI3Kdelta in complex with Compound 4-2 ((3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one)
分子名称: (3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Lesburg, C.A, Augustin, M.A.
登録日2019-07-30
公開日2019-08-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow.
Bioorg.Med.Chem.Lett., 29, 2019
5MZ8
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BU of 5mz8 by Molmil
Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in complex with the reaction product succinate
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Kopecny, D, Vigouroux, A, Briozzo, P, Morera, S.
登録日2017-01-31
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The ALDH21 gene found in lower plants and some vascular plants codes for a NADP(+) -dependent succinic semialdehyde dehydrogenase.
Plant J., 92, 2017
6VW9
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BU of 6vw9 by Molmil
C-terminal regulatory domain of the chloride transporter KCC-1 from C. elegans, proteolyzed during crystallization
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, GLYCEROL, K+/Cl-Cotransporter
著者Zimanyi, C.M, Cheung, J.
登録日2020-02-19
公開日2020-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the Regulatory Cytosolic Domain of a Eukaryotic Potassium-Chloride Cotransporter.
Structure, 28, 2020
4WMS
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BU of 4wms by Molmil
STRUCTURE OF APO MBP-MCL1 AT 1.9A
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ...
著者Clifton, M.C, Dranow, D.M.
登録日2014-10-09
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
8RPH
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BU of 8rph by Molmil
JanthE from Janthinobacterium sp. HH01,ketobutyryl-ThDP
分子名称: (2~{S})-2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-2-yl]-2-oxidanyl-butanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Lanza, L, Leogrande, C, Rabe von Pappenheim, F, Tittmann, K, Mueller, M.
登録日2024-01-16
公開日2024-06-12
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Identification and Characterization of Thiamine Diphosphate-Dependent Lyases with an Unusual CDG Motif.
Angew.Chem.Int.Ed.Engl., 63, 2024
8RCP
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BU of 8rcp by Molmil
Structure of Human Serum Albumin in complex with Myristic Acid
分子名称: 1,2-ETHANEDIOL, MYRISTIC ACID, Serum albumin
著者Pomyalov, S, Sidorenko, V.S, Grollman, A.P, Shoham, G.
登録日2023-12-06
公開日2024-06-26
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and mechanistic insights into the transport of aristolochic acids and their active metabolites by human serum albumin.
J.Biol.Chem., 300, 2024
6HOY
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BU of 6hoy by Molmil
Human Sirt6 in complex with ADP-ribose and the inhibitor trichostatin A
分子名称: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
著者You, W, Steegborn, C.
登録日2018-09-18
公開日2018-11-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of Sirtuin 6 Inhibition by the Hydroxamate Trichostatin A: Implications for Protein Deacylase Drug Development.
J.Med.Chem., 61, 2018
4WX2
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BU of 4wx2 by Molmil
Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with two F6F molecules in the alpha-site and one F6F molecule in the beta-site
分子名称: 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Hilario, E, Caulkins, B.G, Young, R.P, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
登録日2014-11-13
公開日2015-11-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water.
Biochim.Biophys.Acta, 1864, 2016
6HLY
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BU of 6hly by Molmil
Structure in P212121 form of the PBP AgtB in complex with agropinic acid from A.tumefacien R10
分子名称: 1,2-ETHANEDIOL, Agropine permease, agropinic acid
著者Morera, S, Marty, L, Vigouroux, A.
登録日2018-09-11
公開日2018-12-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis for two efficient modes of agropinic acid opine import into the bacterial pathogenAgrobacterium tumefaciens.
Biochem. J., 476, 2019
9BP2
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BU of 9bp2 by Molmil
The death domain (DD) of the human mucosa associated lymphoid tissue lymphoma translocation protein 1 (MALT1)
分子名称: Mucosa-associated lymphoid tissue lymphoma translocation protein 1
著者Chen, C.-L, Tesmer, J.J.G.
登録日2024-05-06
公開日2025-05-14
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The death domain (DD) of the human mucosa associated lymphoid tissue lymphoma translocation protein 1 (MALT1)
To Be Published
8VSM
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BU of 8vsm by Molmil
Ternary structure of 14-3-3 sigma, ARAF phosphopeptide (pS214) and compound 78 (1124378)
分子名称: 1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Vickery, H.R, Virta, J.M, Pennings, M, Konstantinidou, M, van den Oetelaar, M, Neitz, R.J, Ottmann, C, Brunsveld, L, Arkin, M.R.
登録日2024-01-24
公開日2025-03-19
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Ternary structure of 14-3-3 sigma, ARAF phosphopeptide (pS214) and compound 78 (1124378)
To Be Published
6HNJ
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BU of 6hnj by Molmil
The ligand-bound, open structure of CD0873, a substrate binding protein with adhesive properties from Clostridium difficile.
分子名称: 1,2-ETHANEDIOL, ABC-type transport system, sugar-family extracellular solute-binding protein, ...
著者Bradshaw, W.J, Kovacs-Simon, A, Harmer, N.J, Michell, S.L, Acharya, K.R.
登録日2018-09-15
公開日2019-08-28
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular features of lipoprotein CD0873: A potential vaccine against the human pathogenClostridioides difficile.
J.Biol.Chem., 294, 2019
4X6M
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BU of 4x6m by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea
分子名称: 1,2-ETHANEDIOL, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea, Coagulation factor XI, ...
著者Wei, A.
登録日2014-12-08
公開日2015-02-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4WJ1
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BU of 4wj1 by Molmil
Crystal structure of EspB from the ESX-1 type VII secretion system
分子名称: Antigen MTB48, Mycobacterial protein
著者Solomonson, M, Strynadka, N.C.J.
登録日2014-09-29
公開日2015-02-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.415 Å)
主引用文献Structure of EspB from the ESX-1 type VII secretion system and insights into its export mechanism.
Structure, 23, 2015
7P1A
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BU of 7p1a by Molmil
Carbonic Anhydrase VII Sultam Based Inhibitors
分子名称: 4-[2-[4-[(4-methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ...
著者D'Ambrosio, K, De Simone, G.
登録日2021-07-01
公開日2021-11-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Sultam based Carbonic Anhydrase VII inhibitors for the management of neuropathic pain.
Eur.J.Med.Chem., 227, 2021

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件を2025-10-15に公開中

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