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9EWO
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Mpro from SARS-CoV-2 with R4A R298A double mutations
分子名称: Non-structural protein 11, SULFATE ION
著者Plewka, J, Lis, K, Chykunova, Y, Czarna, A, Kantyka, T, Pyrc, K.
登録日2024-04-04
公開日2024-04-17
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (3.002 Å)
主引用文献SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
8W6D
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BU of 8w6d by Molmil
CryoEM structure of NaDC1 in apo state
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
著者Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R.
登録日2023-08-28
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
9EYX
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BU of 9eyx by Molmil
Human PRMT5 in complex with AZ compound 28
分子名称: (3~{S})-2-[(5-azanyl-6-fluoranyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione, 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 (2.2 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
8WCT
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BU of 8wct by Molmil
The crystal structure of the CHASE4 domain of iron-sensetive membrane protein (IsmP,Uniprot ID:Q9I243)
分子名称: Bifunctional diguanylate cyclase/phosphodiesterase, GLYCEROL
著者Wang, C.C.
登録日2023-09-13
公開日2024-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A c-di-GMP signaling module controls responses to iron in Pseudomonas aeruginosa.
Nat Commun, 15, 2024
8WTC
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BU of 8wtc by Molmil
Crystal structure of McsB kinase domain complexed with McsA.
分子名称: Protein-arginine kinase, Protein-arginine kinase activator protein, ZINC ION
著者Arifuzzaman, M, Kwon, E, Kim, D.Y.
登録日2023-10-18
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into the regulation of protein-arginine kinase McsB by McsA.
Proc.Natl.Acad.Sci.USA, 121, 2024
8XJJ
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BU of 8xjj by Molmil
Co-crystal structure of SOS-1 and a potent, selective and orally bioavailable SOS1 inhibitor RGT-018
分子名称: 1,2-ETHANEDIOL, 5-[4-[[(1~{R})-1-[3-[bis(fluoranyl)methyl]-2-fluoranyl-phenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxidanylidene-pyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile, Son of sevenless homolog 1
著者Ren, X.
登録日2023-12-21
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of RGT-018: a Potent, Selective and Orally Bioavailable SOS1 Inhibitor for KRAS-driven Cancers.
Mol.Cancer Ther., 2024
8YLN
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BU of 8yln by Molmil
The structure of DSR2-Tail tube complex
分子名称: Bacillus phage SPR Tube protein, SIR2-like domain-containing protein
著者Zheng, J, Yang, X.
登録日2024-03-06
公開日2024-08-14
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Structural insights into autoinhibition and activation of defense-associated sirtuin protein.
Int.J.Biol.Macromol., 277, 2024
8VI3
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BU of 8vi3 by Molmil
TehA from Haemophilus influenzae purified in GDN
分子名称: Tellurite resistance protein TehA homolog
著者Catalano, C, Senko, S, Tran, N.L, Lucier, K.W, Farwell, A.C, Silva, M.S, Dip, P.V, Poweleit, N, Scapin, G.
登録日2024-01-03
公開日2024-05-08
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献High-Resolution Cryo-Electron Microscopy Structure Determination of Haemophilus influenzae Tellurite-Resistance Protein A via 200 kV Transmission Electron Microscopy.
Int J Mol Sci, 25, 2024
9EOJ
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BU of 9eoj by Molmil
Vertebrate microtubule-capping gamma-tubulin ring complex
分子名称: Gamma-tubulin complex component, Gamma-tubulin complex component 3 homolog, Gamma-tubulin complex component 6, ...
著者Vermeulen, B.J.A, Pfeffer, S.
登録日2024-03-15
公開日2024-04-17
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (17 Å)
主引用文献gamma-TuRC asymmetry induces local protofilament mismatch at the RanGTP-stimulated microtubule minus end.
Embo J., 43, 2024
9F3Z
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BU of 9f3z by Molmil
Psychrophilic laccase (multicopper oxidase) from Oenococcus oeni 229 with Histag
分子名称: COPPER (II) ION, Multicopper oxidase
著者Paredes, F, Casino, P.
登録日2024-04-26
公開日2024-08-07
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Biochemical and Structural Characterization of a Novel Psychrophilic Laccase (Multicopper Oxidase) Discovered from Oenococcus oeni 229 (ENOLAB 4002).
Int J Mol Sci, 25, 2024
8XE0
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BU of 8xe0 by Molmil
O-methyltransferase from Lycoris longituba M52W variant complexed with Mg, SAH, and 3,4-dihydroxybenzaldehyde
分子名称: MAGNESIUM ION, Protocatechuic aldehyde, S-ADENOSYL-L-HOMOCYSTEINE, ...
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 (2.2 Å)
主引用文献Structure-Based Catalytic Mechanism of Amaryllidaceae O-Methyltransferases
Acs Catalysis, 2024
8WKO
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BU of 8wko by Molmil
Crystal structure of O-acetylhomoserine sulfhydrylase from Lactobacillus plantarum in the closed form
分子名称: (2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid, L-methionine gamma-lyase, PROLINE, ...
著者Oda, K, Matoba, Y.
登録日2023-09-28
公開日2024-02-14
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献pH-dependent regulation of an acidophilic O -acetylhomoserine sulfhydrylase from Lactobacillus plantarum.
Appl.Environ.Microbiol., 90, 2024
8X87
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BU of 8x87 by Molmil
The Crystal Structure of HspBP1 from Biortus.
分子名称: Hsp70-binding protein 1
著者Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y.
登録日2023-11-27
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Crystal Structure of HspBP1 from Biortus.
To Be Published
8VR2
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BU of 8vr2 by Molmil
Crystal structure of the Pcryo_0617 oxidoreductase/decarboxylase from Psychrobacter cryohalolentis K5 in the presence of NAD and UDP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NAD-dependent epimerase/dehydratase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
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 (1.8 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
8VI2
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BU of 8vi2 by Molmil
TehA from Haemophilus influenzae purified in DDM
分子名称: Tellurite resistance protein TehA homolog
著者Catalano, C, Senko, S, Tran, N.L, Lucier, K.W, Farwell, A.C, Silva, M.S, Dip, P.V, Poweleit, N, Scapin, G.
登録日2024-01-03
公開日2024-05-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献High-Resolution Cryo-Electron Microscopy Structure Determination of Haemophilus influenzae Tellurite-Resistance Protein A via 200 kV Transmission Electron Microscopy.
Int J Mol Sci, 25, 2024
9FXP
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BU of 9fxp by Molmil
Crystal structure of BRD4 BD1 with DI00626383.
分子名称: 4-methoxy-1,2-benzoxazol-3-amine, Bromodomain-containing protein 4
著者Bader, G, Reinert, D.
登録日2024-07-02
公開日2024-08-07
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Probing Protein-Ligand Methyl-pi Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups.
J.Med.Chem., 67, 2024
8WCQ
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BU of 8wcq by Molmil
Cryo-EM structure of nanodisc (PE:PS:PC) reconstituted GLIC at pH 4 in intermediate state
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHLORIDE ION, Proton-gated ion channel
著者Bharambe, N, Li, Z, Basak, S.
登録日2023-09-13
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Cryo-EM structures of prokaryotic ligand-gated ion channel GLIC provide insights into gating in a lipid environment.
Nat Commun, 15, 2024
9EU6
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BU of 9eu6 by Molmil
The FK1 domain of FKBP51 in complex with SAFit-analog 23j
分子名称: (1,5-dimethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Hausch, F.
登録日2024-03-27
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile.
Chemmedchem, 2024
9AUJ
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BU of 9auj by Molmil
Structure of SARS-CoV-2 Mpro mutant (S144A) in complex with Nirmatrelvir (PF-07321332)
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
登録日2024-02-29
公開日2024-08-07
実験手法X-RAY DIFFRACTION (1.486 Å)
主引用文献In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
8Z3S
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BU of 8z3s by Molmil
Activation mechanism and novel binding site of the BKCa channel activator CTIBD
分子名称: 4-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ...
著者Lee, N, Kim, S, Jo, H, Lee, N.Y, Jin, M.S, Park, C.S.
登録日2024-04-16
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Activation mechanism and novel binding site of the BKCa channel activator CTIBD
To Be Published
8X2U
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BU of 8x2u by Molmil
Radial spoke head-neck dimer
分子名称: DPY30 domain containing 2, DnaJ homolog subfamily B member 13, Nucleoside diphosphate kinase homolog 5, ...
著者Meng, X, Cong, Y.
登録日2023-11-10
公開日2024-02-07
実験手法ELECTRON MICROSCOPY (3.57 Å)
主引用文献Multi-scale structures of the mammalian radial spoke and divergence of axonemal complexes in ependymal cilia.
Nat Commun, 15, 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
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
8WNG
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BU of 8wng by Molmil
Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Ile
分子名称: ACETATE ION, GLYCEROL, ISOLEUCINE, ...
著者Guo, Y, Li, S, Zhang, T.
登録日2023-10-05
公開日2024-02-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
9BAZ
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BU of 9baz by Molmil
CryoEM structure of DIM2-HP1 complex
分子名称: DNA (cytosine-5-)-methyltransferase, Heterochromatin protein one, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Song, J, Shao, Z.
登録日2024-04-05
公開日2024-07-24
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献CryoEM structure of DIM2-HP1 complex
To Be Published

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件を2024-08-21に公開中

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