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8K7I
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Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R,5R)-2-(hydroxymethyl)-5-((methylamino)methyl)pyrrolidine-3,4-diol
分子名称: (2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-5-(methylaminomethyl)pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C.
登録日2023-07-26
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase.
Jacs Au, 4, 2024
8K77
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Cryo-EM structure of SV2A in complex with BoNT/A2 Hc and brivaracetam
分子名称: (2S)-2-[(4R)-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yamagata, A.
登録日2023-07-26
公開日2024-05-01
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献Structural basis for antiepileptic drugs and botulinum neurotoxin recognition of SV2A.
Nat Commun, 15, 2024
8K73
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Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((1-(phenylsulfonyl)pyrrolidine-3-carbonyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid
分子名称: 2-[(2~{Z})-3-oxidanyl-2-[(3~{R})-1-(phenylsulfonyl)pyrrolidin-3-yl]carbonylimino-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
著者Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J.
登録日2023-07-26
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
8K72
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Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((3-(phenylsulfonamido)propanoyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid
分子名称: 2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
著者Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J.
登録日2023-07-26
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
8K71
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Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((2-((naphthalen-2-ylmethyl)sulfonyl)acetyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid
分子名称: 2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
著者Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J.
登録日2023-07-26
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha.
Chem Sci, 14, 2023
8K70
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Structural basis for the distinct roles of non-conserved Pro116 and conserved Tyr124 of BCH domain of yeast p50RhoGAP
分子名称: Putative Rho GTPase-activating protein C1565.02c, TETRAETHYLENE GLYCOL
著者Shankar, S, Sivaraman, J.
登録日2023-07-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural basis for the distinct roles of non-conserved Pro116 and conserved Tyr124 of BCH domain of yeast p50RhoGAP.
Cell.Mol.Life Sci., 81, 2024
8K6Z
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BU of 8k6z by Molmil
NMR structure of human leptin
分子名称: Leptin
著者Fan, X, Qin, R, Yuan, W, Fan, J, Huang, W, Lin, Z.
登録日2023-07-26
公開日2024-02-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The solution structure of human leptin reveals a conformational plasticity important for receptor recognition.
Structure, 32, 2024
8K6Y
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BU of 8k6y by Molmil
Serial femtosecond crystallography structure of photo dissociated CO from ba3- type cytochrome c oxidase determined by extrapolation method
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ...
著者Safari, C, Ghosh, S, Andersson, R, Johannesson, J, Donoso, A.V, Zoric, D, Sandelin, E, Iwata, S, Neutze, R, Branden, G.
登録日2023-07-25
公開日2023-11-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase.
Sci Adv, 9, 2023
8K6T
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BU of 8k6t by Molmil
The minor pilin structure of FctB3 in Streptococcus
分子名称: FctB3, GLYCEROL
著者Takebe, K, Sangawa, T, Suzuki, M, Nakata, M.
登録日2023-07-25
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Analysis of FctB3 crystal structure and insight into its structural stabilization and pilin linkage mechanisms.
Arch.Microbiol., 206, 2023
8K6Q
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BU of 8k6q by Molmil
Crystal structure of HOIL-1L LTM domain
分子名称: RanBP-type and C3HC4-type zinc finger-containing protein 1
著者Yan, Z, Pan, L.F.
登録日2023-07-25
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Mechanistic insights into the homo-dimerization of HOIL-1L and SHARPIN.
Biochem.Biophys.Res.Commun., 689, 2023
8K6P
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BU of 8k6p by Molmil
Crystal structure of SHARPIN LTM motif
分子名称: Sharpin
著者Yan, Z, Pan, L.F.
登録日2023-07-25
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Mechanistic insights into the homo-dimerization of HOIL-1L and SHARPIN.
Biochem.Biophys.Res.Commun., 689, 2023
8K6K
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BU of 8k6k by Molmil
Cryo-EM Structure of Membrane-bound Fructose Dehydrogenase from Gluconobacter japonicus variant-N1146A
分子名称: FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, Fructose dehydrogenase (N1146A) large subunit, ...
著者Fukawa, E, Miyata, T, Makino, F, Adachi, T, Suzuki, Y, Tanaka, H, Namba, K, Sowa, K, Kitazumi, Y, Shirai, O.
登録日2023-07-25
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Structural and electrochemical elucidation of biocatalytic mechanisms in direct electron transfer-type D-fructose dehydrogenase.
Electrochim Acta, 490, 2024
8K6J
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BU of 8k6j by Molmil
Cryo-EM Structure of Membrane-bound Fructose Dehydrogenase from Gluconobacter japonicus variant-H1147A
分子名称: FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, Fructose dehydrogenase (H1147A) large subunit, ...
著者Fukawa, E, Miyata, T, Makino, F, Adachi, T, Suzuki, Y, Tanaka, H, Namba, K, Sowa, K, Kitazumi, Y, Shirai, O.
登録日2023-07-25
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Structural and electrochemical elucidation of biocatalytic mechanisms in direct electron transfer-type D-fructose dehydrogenase.
Electrochim Acta, 490, 2024
8K6B
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BU of 8k6b by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/M165V mutant
分子名称: 3C-like proteinase nsp5
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K65
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BU of 8k65 by Molmil
Serial femtosecond crystallography structure of CO bound ba3- type cytochrome c oxidase without pump laser irradiation
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ...
著者Safari, C, Ghosh, S, Andersson, R, Johannesson, J, Donoso, A.V, Bath, P, Zoric, D, Sandelin, E, Nango, E, Tanaka, R, Iwata, S, Neutze, R, Branden, G.
登録日2023-07-25
公開日2023-11-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase.
Sci Adv, 9, 2023
8K5Y
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BU of 8k5y by Molmil
Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor
分子名称: (3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1H-indol-2-yl]methanone, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ...
著者Kamitani, M, Mima, M, Nishikawa-Shimono, R.
登録日2023-07-24
公開日2023-12-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
8K5R
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BU of 8k5r by Molmil
CDK9/cyclin T1 in complex with KB-0742
分子名称: (1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine, Cyclin-T1, Cyclin-dependent kinase 9
著者Zhou, M, Li, H, Gao, H, Trotter, B.W, Freeman, D.
登録日2023-07-24
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.751 Å)
主引用文献Discovery of KB-0742, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of CDK9 for MYC-Dependent Cancers.
J.Med.Chem., 66, 2023
8K5O
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Cryo-EM structure of the RC-LH core comples from Halorhodospira halochloris
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-O-octyl-beta-D-glucopyranose, ...
著者Wang, G.-L, Qi, C.-H, Yu, L.-J.
登録日2023-07-22
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (2.42 Å)
主引用文献Structural insights into the unusual core photocomplex from a triply extremophilic purple bacterium, Halorhodospira halochloris.
J Integr Plant Biol, 2024
8K5K
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The structure of SenA
分子名称: FE (III) ION, GLYCEROL, selenoneine synthase SenA
著者Liu, M, Yang, Y, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2023-07-21
公開日2023-12-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural insights into a novel nonheme iron-dependent oxygenase in selenoneine biosynthesis.
Int.J.Biol.Macromol., 256, 2023
8K5J
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The structure of SenA in complex with N,N,N-trimethyl-histidine
分子名称: FE (III) ION, GLYCEROL, N,N,N-trimethyl-histidine, ...
著者Liu, M, Yang, Y, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2023-07-21
公開日2023-12-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural insights into a novel nonheme iron-dependent oxygenase in selenoneine biosynthesis.
Int.J.Biol.Macromol., 256, 2023
8K5I
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BU of 8k5i by Molmil
The structure of SenA in complex with N,N,N-trimethyl-histidine and thioglucose
分子名称: 1-thio-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
著者Liu, M, Yang, Y, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2023-07-21
公開日2023-12-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural insights into a novel nonheme iron-dependent oxygenase in selenoneine biosynthesis.
Int.J.Biol.Macromol., 256, 2023
8K5H
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BU of 8k5h by Molmil
Structure of the SARS-CoV-2 BA.1 spike with UT28-RD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Chen, L, Kita, S, Anraku, Y, Maenaka, K.
登録日2023-07-21
公開日2023-12-27
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Rational in silico design identifies two mutations that restore UT28K SARS-CoV-2 monoclonal antibody activity against Omicron BA.1.
Structure, 32, 2024
8K5G
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BU of 8k5g by Molmil
Structure of the SARS-CoV-2 BA.1 RBD with UT28-RD
分子名称: Spike protein S1, UT28K-RD Fab Heavy chain, UT28K-RD Fab Light chain
著者Chen, L, Kita, S, Anraku, Y, Maenaka, K.
登録日2023-07-21
公開日2023-12-27
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Rational in silico design identifies two mutations that restore UT28K SARS-CoV-2 monoclonal antibody activity against Omicron BA.1.
Structure, 32, 2024
8K4Z
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Crystal structure of human MMP-7 in complex with inhibitor
分子名称: CALCIUM ION, CHLORIDE ION, IODIDE ION, ...
著者Kamitani, M, Mima, M, Oka, Y.
登録日2023-07-20
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of TP0628103: A Selective MMP-7 Inhibitor Based on the Mitigation of OATP Substrate Recognition through Isoelectric Point Shift Strategy
To Be Published
8K4R
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Structure of VinM-VinL complex
分子名称: Acyl-carrier-protein, Non-ribosomal peptide synthetase, SODIUM ION, ...
著者Miyanaga, A, Nagata, K, Nakajima, J, Chisuga, T, Kudo, F, Eguchi, T.
登録日2023-07-20
公開日2023-11-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of Amide-Forming Adenylation Enzyme VinM in Vicenistatin Biosynthesis.
Acs Chem.Biol., 18, 2023

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