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9BOO
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BU of 9boo by Molmil
Crystal structure of MERS-CoV Nsp5 in complex with PF-07817883
分子名称: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
著者Chen, P, Arutyunova, E, Lemieux, M.J.
登録日2024-05-05
公開日2024-08-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Structural Comparison of Oral SARS-CoV-2 Drug Candidate Ibuzatrelvir Complexed with the Main Protease (Mpro) of SARS-CoV-2 and MERS-CoV
Jacs Au, 2024
8WY1
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BU of 8wy1 by Molmil
The structure of cyclization domain in cyclic beta-1,2-glucan synthase from Thermoanaerobacter italicus
分子名称: Glycosyltransferase 36
著者Tanaka, N, Saito, R, Kobayashi, K, Nakai, H, Kamo, S, Kuramochi, K, Taguchi, H, Nakajima, M, Masaike, T.
登録日2023-10-30
公開日2024-02-14
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Functional and structural analysis of a cyclization domain in a cyclic beta-1,2-glucan synthase.
Appl.Microbiol.Biotechnol., 108, 2024
9G2W
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BU of 9g2w by Molmil
Endophilin B1 dimer bound to nanodisc edge
分子名称: Endophilin-B1
著者Thorlacius, A, Sundborger-Lunna, A.
登録日2024-07-11
公開日2024-08-07
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Endophilin B1 dimer bound to nanodisc edge
To Be Published
8X3H
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BU of 8x3h by Molmil
Crystal structure of iron-bound recombinant ovotransferrin N-lobe at 0.93 angstrom resolution
分子名称: CARBONATE ION, FE (III) ION, GLYCEROL, ...
著者Toyoda, M, Mikami, B, Mizutani, K.
登録日2023-11-13
公開日2023-12-13
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Crystal structure of iron-bound ovotransferrin N-lobe at atomic resolution
To Be Published
8X3E
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BU of 8x3e by Molmil
CYP725A4-Taxa-4,11-diene complex
分子名称: (1~{R},3~{R},8~{R})-4,8,12,15,15-pentamethyltricyclo[9.3.1.0^{3,8}]pentadeca-4,11-diene, PROTOPORPHYRIN IX CONTAINING FE, Taxadiene 5-alpha hydroxylase
著者Chang, Z, Wang, Q.
登録日2023-11-13
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Unraveling the Catalytic Mechanism of Taxadiene-5alpha-hydroxylase from Crystallography and Computational Analyses.
Acs Catalysis, 14, 2024
8XDV
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BU of 8xdv by Molmil
O-methyltransferase from Lycoris longituba M52S-F186Y variant complexed with Mg and SAH
分子名称: MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, norbelladine O-methyltransferase
著者Saw, Y.Y.H, Nakashima, Y, Morita, H.
登録日2023-12-11
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structure-Based Catalytic Mechanism of Amaryllidaceae O-Methyltransferases
Acs Catalysis, 2024
8YVP
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BU of 8yvp by Molmil
canine immunoproteasome 20S subunit in complex with compound 1
分子名称: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
著者Kashima, A, Arai, Y.
登録日2024-03-29
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Optimization of alpha-amido boronic acids via cryo-electron microscopy analysis: Discovery of a novel highly selective immunoproteasome subunit LMP7 ( beta 5i)/LMP2 ( beta 1i) dual inhibitor.
Bioorg.Med.Chem., 109, 2024
9EYU
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BU of 9eyu by Molmil
Human PRMT5 in complex with AZ compound 1
分子名称: (1~{S})-2-[(2-carbamimidamido-1,3-thiazol-5-yl)methyl]-~{N}-[(4-fluorophenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-1-carboxamide, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ...
著者Debreczeni, J.
登録日2024-04-09
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity.
J.Med.Chem., 2024
8X2I
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Cryo-EM structure of the TcsL at pH 5.0 in its open conformation
分子名称: Cytotoxin-L, ZINC ION
著者Zhan, X, Tao, L.
登録日2023-11-09
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structural dynamics of CROPs control stability and toxicity of Paeniclostridium sordellii lethal toxin
Nat Commun, 2023
9CYS
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BU of 9cys by Molmil
Toxin/immunity complex for a T6SS lipase effector from E. cloacae
分子名称: Ankyrin repeat domain-containing protein, CITRIC ACID, GLYCEROL, ...
著者Cuthbert, B.J, Jensen, S.J, Goulding, C.W, Hayes, C.S.
登録日2024-08-02
公開日2024-08-14
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Advanced glycation end-product (AGE) crosslinking activates a type 6 secretion system phospholipase effector protein
Nature Communications, 2024
8WZF
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BU of 8wzf by Molmil
Dark state SFX structure of hen egg white lysozyme microcrystals immobilized with a Mn carbonyl complex at RT.
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Maity, B, Shoji, M, Luo, F, Nakane, T, Abe, S, Owada, S, Kang, J, Tono, K, Tanaka, R, Thuc, T.T, Kojima, M, Hishikawa, Y, Tanaka, J, Tian, J, Noya, H, Nakasuji, Y, Asanuma, A, Yao, X, Iwata, S, Shigeta, Y, Nango, E, Ueno, T.
登録日2023-11-01
公開日2024-07-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Real-time observation of a metal complex-driven reaction intermediate using a porous protein crystal and serial femtosecond crystallography.
Nat Commun, 15, 2024
8VR3
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BU of 8vr3 by Molmil
crystal structure of the Pcryo_0618 aminotransferase from Psychrobacter cryohalolentis K5 in the presence of its internal aldimine
分子名称: 1,2-ETHANEDIOL, 2,2'-(1,4-diazepane-1,4-diyl)di(ethane-1-sulfonic acid), CHLORIDE ION, ...
著者Bockhaus, N.J, Thoden, J.B, Holden, H.M.
登録日2024-01-20
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biochemical Investigation of the Enzymes Required for the Production of 2,3,4-triacetoamido-2,3,4-trideoxy-l-arabinose in Psychrobacter cryohalolentis K5
To Be Published
8WFL
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BU of 8wfl by Molmil
human glycine transporter 1 in complex with PF-03463275 in outward facing conformation
分子名称: PF-3463275, Sodium- and chloride-dependent glycine transporter 1
著者Wei, Y, Zhao, Y.
登録日2023-09-19
公開日2024-04-03
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Transport mechanism and pharmacology of the human GlyT1.
Cell, 187, 2024
9COZ
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BU of 9coz by Molmil
Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Francisella philomiragia (Orthorhombic P Form)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Outer membrane lipocarrier LolA family protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-07-17
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Francisella philomiragia (Orthorhombic P Form)
To be published
8Y2T
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BU of 8y2t by Molmil
Crystal structure of 3C protease from coxsackievirus B3
分子名称: Protease 3C
著者Jiang, H.H, Zou, X.F, Zhang, J, Li, J.
登録日2024-01-27
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of the 3C proteases from Coxsackievirus B3 and B4.
Acta Crystallogr.,Sect.F, 80, 2024
8XJ6
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BU of 8xj6 by Molmil
The Cryo-EM structure of MPXV E5 apo conformation
分子名称: AMP PHOSPHORAMIDATE, Monkeypox virus E5, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Zhang, W, Liu, Y, Gao, H, Gan, J.
登録日2023-12-20
公開日2024-05-01
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 10, 2024
8X2H
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BU of 8x2h by Molmil
Cryo-EM structure of the TcsL at pH 5.0 in its closed conformation
分子名称: Cytotoxin-L, ZINC ION
著者Zhan, X, Tao, L.
登録日2023-11-09
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural dynamics of CROPs control stability and toxicity of Paeniclostridium sordellii lethal toxin
Nat Commun, 2023
9CX6
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BU of 9cx6 by Molmil
Cryo-EM filament structure in FTLD-synuclein
分子名称: Alpha-synuclein
著者Yang, Y, Scheres, H.W.S, Goedert, M.
登録日2024-07-30
公開日2024-08-14
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM filament structure in FTLD-synuclein from typical multiple system atrophy brain
To Be Published
9CII
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BU of 9cii by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23D/L36R at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Zhang, Y, Schlessman, J.L, Robinson, A.C, Garcia-Moreno E, B.
登録日2024-07-03
公開日2024-08-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS V23D/L36R at cryogenic temperature
To Be Published
8WU8
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BU of 8wu8 by Molmil
Crystal structure of the human RAD9-RAD1(F64A/M256A/F266A)-HUS1-RHINO(88-99) complex
分子名称: Cell cycle checkpoint control protein RAD9A, Cell cycle checkpoint protein RAD1, Checkpoint protein HUS1, ...
著者Hara, K, Nagata, K, Iida, N, Hashimoto, H.
登録日2023-10-20
公開日2024-02-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural basis for intra- and intermolecular interactions on RAD9 subunit of 9-1-1 checkpoint clamp implies functional 9-1-1 regulation by RHINO.
J.Biol.Chem., 300, 2024
9EPX
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BU of 9epx by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331
分子名称: 1,2-ETHANEDIOL, 7-[(2-chloranyl-1,3-benzothiazol-6-yl)sulfonyl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-7-azaspiro[3.5]nonan-2-amine, Casein kinase II subunit alpha, ...
著者Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2024-03-20
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331
To Be Published
9EMV
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BU of 9emv by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin and m7GpppA (Cap0-analog)/m7GpppAm (Cap1-analog)
分子名称: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S.
登録日2024-03-11
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
9BPF
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BU of 9bpf by Molmil
Crystal structure of main protease of SARS-CoV-2 complexed with inhibitor
分子名称: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
著者Chen, P, Arutyunova, E, Lemieux, M.J.
登録日2024-05-07
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Structural Comparison of Oral SARS-CoV-2 Drug Candidate Ibuzatrelvir Complexed with the Main Protease (Mpro) of SARS-CoV-2 and MERS-CoV
Jacs Au, 2024
9F44
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BU of 9f44 by Molmil
cryo-EM structure of LST2 TOS peptide bound to human mTOR complex 1
分子名称: INOSITOL HEXAKISPHOSPHATE, Lateral signaling target protein 2 homolog, Regulatory-associated protein of mTOR, ...
著者Craigie, L.M, Maier, T.
登録日2024-04-26
公開日2024-08-14
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献mTORC1 phosphorylates and stabilizes LST2 to negatively regulate EGFR
Proc.Natl.Acad.Sci.USA, 2024
8XE2
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BU of 8xe2 by Molmil
O-methyltransferase from Lycoris longituba D230A variant complexed with Mg, SAH, and 3,4-dihydroxybenzaldehyde
分子名称: GLYCEROL, MAGNESIUM ION, Protocatechuic aldehyde, ...
著者Saw, Y.Y.H, Nakashima, Y, Morita, H.
登録日2023-12-11
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure-Based Catalytic Mechanism of Amaryllidaceae O-Methyltransferases
Acs Catalysis, 2024

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件を2024-08-21に公開中

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