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8KHR
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BU of 8khr by Molmil
Cryo-EM structure of EBV gH/gL-gp42 in complex with fab 2C1
分子名称: 2C1 heavy chain, 2C1 light chain, Envelope glycoprotein H, ...
著者Fang, X.Y, Zhao, G.X, Zeng, M.S, Liu, Z.
登録日2023-08-22
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Potent human monoclonal antibodies targeting Epstein-Barr virus gp42 reveal vulnerable sites for virus infection.
Cell Rep Med, 5, 2024
5X04
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BU of 5x04 by Molmil
12:0-ACP thioesterase from Umbellularia californica
分子名称: Dodecanoyl-[acyl-carrier-protein] hydrolase, chloroplastic
著者Xue, S, Feng, Y.
登録日2017-01-19
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structural Insight into Acyl-ACP Thioesterase toward Substrate Specificity Design.
ACS Chem. Biol., 12, 2017
5XST
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BU of 5xst by Molmil
novel orally efficacious inhibitors complexed with PARP1
分子名称: 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Liu, Q, Xu, Y.
登録日2017-06-15
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
5XRL
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BU of 5xrl by Molmil
Galectin-10/Charcot-Leyden crystal protein variant N65A crystal structure
分子名称: GLYCEROL, Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
8IZF
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BU of 8izf by Molmil
Cryo-EM structure of the Lac1-Lip1 (Lip1-S74F) complex
分子名称: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, Ceramide synthase LAC1, Ceramide synthase subunit LIP1
著者Xie, T, Fang, Q, Gong, X.
登録日2023-04-07
公開日2023-12-13
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Structure and mechanism of a eukaryotic ceramide synthase complex.
Embo J., 42, 2023
5XSU
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BU of 5xsu by Molmil
novel orally efficacious inhibitors complexed with PARP1
分子名称: 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Liu, Q, Xu, Y.
登録日2017-06-15
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
6KEY
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BU of 6key by Molmil
Structural basis for the regulation of inducible nitric oxide synthase (iNOS) by the SPRY domain-containing SOCS box protein 2 (SPSB2)
分子名称: Nitric oxide synthase, inducible, SPRY domain-containing SOCS box protein 2
著者Li, K, Kuang, Z.
登録日2019-07-05
公開日2020-07-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Structural basis for the regulation of inducible nitric oxide synthase by the SPRY domain-containing SOCS box protein SPSB2, an E3 ubiquitin ligase.
Nitric Oxide, 113-114, 2021
6A3N
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BU of 6a3n by Molmil
Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2
分子名称: 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Wu, Y.N, Zhou, Q, Chen, Y.P, Luo, H.B.
登録日2018-06-15
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia.
J. Med. Chem., 62, 2019
5ZUU
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BU of 5zuu by Molmil
Crystal structure of AtCPSF30 YTH domain in complex with 10mer m6A-modified RNA
分子名称: 30-kDa cleavage and polyadenylation specificity factor 30, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
著者Wu, B, Nie, H, Li, S, Patel, D.J.
登録日2018-05-08
公開日2019-05-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献CPSF30-L-mediated recognition of mRNA m6A modification controls alternative polyadenylation of nitrate signaling-related gene transcripts in Arabidopsis.
Mol Plant, 2021
6KPC
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BU of 6kpc by Molmil
Crystal structure of an agonist bound GPCR
分子名称: 7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]- 7-methyloctanenitrile, Cannabinoid receptor 2,Endolysin
著者Li, X.T, Hua, T, Wu, L.J, Makriyannis, A, Wu, M, Liu, Z.J.
登録日2019-08-15
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures.
Cell, 180, 2020
5XRO
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BU of 5xro by Molmil
Galectin-10/Charcot-Leyden crystal protein variant Q74A crystal structure
分子名称: GLYCEROL, Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
5XRI
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BU of 5xri by Molmil
Galectin-10/Charcot-Leyden crystal protein-C29A crystal structure
分子名称: GLYCEROL, Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
5XRJ
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BU of 5xrj by Molmil
Galectin-10/Charcot-Leyden crystal protein variant H53A crystal structure
分子名称: Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
5XN3
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BU of 5xn3 by Molmil
Crystal structure of SPSB2 in complex with a rational designed RGD containing cyclic peptide inhibitor of SPSB2-iNOS interaction
分子名称: SPRY domain-containing SOCS box protein 2, cR8 peptide from NOS2
著者You, T, Kuang, Z.
登録日2017-05-17
公開日2017-06-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Crystal structure of SPSB2 in complex with a rational designed RGD-containing cyclic peptide inhibitor of SPSB2-iNOS interaction.
Biochem. Biophys. Res. Commun., 489, 2017
5XRP
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BU of 5xrp by Molmil
Galectin-10/Charcot-Leyden crystal protein variant Q75A
分子名称: GLYCEROL, Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
6J9M
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BU of 6j9m by Molmil
NmeBH+AcrIIC2
分子名称: AcrIIC2, CRISPR-associated endonuclease Cas9
著者Zhu, Y.L, Gao, A, Serganov, A, Gao, P.
登録日2019-01-23
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献Diverse Mechanisms of CRISPR-Cas9 Inhibition by Type IIC Anti-CRISPR Proteins.
Mol. Cell, 74, 2019
6L5M
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BU of 6l5m by Molmil
Crystal structure of human DEAD-box RNA helicase DDX21 in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, Nucleolar RNA helicase 2
著者Chen, Z.J, Hu, X.J, Zhou, Z, Li, J.X.
登録日2019-10-24
公開日2020-06-17
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis of Human Helicase DDX21 in RNA Binding, Unwinding, and Antiviral Signal Activation.
Adv Sci, 7, 2020
7VUP
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BU of 7vup by Molmil
Structure of NF-kB p52 homodimer bound to +1/-1 swap P-Selectin kB DNA fragment
分子名称: DNA (5'-D(*AP*AP*GP*GP*GP*GP*GP*AP*GP*TP*CP*CP*CP*CP*TP*TP*G)-3'), DNA (5'-D(*CP*AP*AP*GP*GP*GP*GP*AP*CP*TP*CP*CP*CP*CP*CP*TP*T)-3'), Nuclear factor NF-kappa-B p52 subunit
著者Meshcheryakov, V.A, Wang, V.Y.-F.
登録日2021-11-04
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structures of NF-kappa B p52 homodimer-DNA complexes rationalize binding mechanisms and transcription activation.
Elife, 12, 2023
7VUQ
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BU of 7vuq by Molmil
Structure of NF-kB p52 homodimer bound to A/T-centric P-Selectin kB DNA fragment
分子名称: DNA (5'-D(*CP*AP*AP*GP*GP*GP*GP*TP*TP*AP*CP*CP*CP*CP*CP*TP*T)-3'), DNA (5'-D(*GP*AP*AP*GP*GP*GP*GP*GP*TP*AP*AP*CP*CP*CP*CP*TP*TP*G)-3'), Nuclear factor NF-kappa-B p52 subunit
著者Meshcheryakov, V.A, Wang, V.Y.-F.
登録日2021-11-04
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of NF-kappa B p52 homodimer-DNA complexes rationalize binding mechanisms and transcription activation.
Elife, 12, 2023
8FXU
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BU of 8fxu by Molmil
Thermoanaerobacter thermosaccharolyticum periplasmic Glucose-Binding Protein glucose complex: Badan conjugate attached at F17C
分子名称: 2-bromo-1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one, CALCIUM ION, CHLORIDE ION, ...
著者Allert, M.J, Kumar, S, Beese, L.S, Hellinga, H.W.
登録日2023-01-25
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Chromophore carbonyl twisting in fluorescent biosensors encodes direct readout of protein conformations with multicolor switching.
Commun Chem, 6, 2023
7W7L
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BU of 7w7l by Molmil
Structure of NF-kB p52 homodimer bound to 13-mer A/T-centric P-Selectin kB DNA fragment
分子名称: DNA (5'-D(*AP*GP*GP*GP*GP*TP*TP*AP*CP*CP*CP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*GP*GP*TP*AP*AP*CP*CP*CP*CP*T)-3'), Nuclear factor NF-kappa-B p52 subunit
著者Meshcheryakov, V.A, Wang, V.Y.-F.
登録日2021-12-05
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of NF-kappa B p52 homodimer-DNA complexes rationalize binding mechanisms and transcription activation.
Elife, 12, 2023
8GI9
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BU of 8gi9 by Molmil
Cation channelrhodopsin from Hyphochytrium catenoides (HcCCR) embedded in peptidisc
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, Cation Channelrhodopsin, ...
著者Morizumi, T, Kim, K, Li, H, Spudich, J.L, Ernst, O.P.
登録日2023-03-13
公開日2023-07-26
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Structures of channelrhodopsin paralogs in peptidiscs explain their contrasting K + and Na + selectivities.
Nat Commun, 14, 2023
8GI8
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BU of 8gi8 by Molmil
Kalium channelrhodopsin 1 from Hyphochytrium catenoides (HcKCR1) embedded in peptidisc
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, Kalium Channelrhodopsin 1, ...
著者Morizumi, T, Kim, K, Li, H, Spudich, J.L, Ernst, O.P.
登録日2023-03-13
公開日2023-07-26
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Structures of channelrhodopsin paralogs in peptidiscs explain their contrasting K + and Na + selectivities.
Nat Commun, 14, 2023
8G93
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BU of 8g93 by Molmil
Crystal structures of 17-beta-hydroxysteroid dehydrogenase 13
分子名称: 3-fluoro-N-({(1r,4r)-4-[(2-fluorophenoxy)methyl]-1-hydroxycyclohexyl}methyl)-4-hydroxybenzamide, Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Liu, S.
登録日2023-02-21
公開日2023-08-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural basis of lipid-droplet localization of 17-beta-hydroxysteroid dehydrogenase 13.
Nat Commun, 14, 2023
8G9V
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BU of 8g9v by Molmil
Crystal structures of 17-beta-hydroxysteroid dehydrogenase 13
分子名称: 17-beta-hydroxysteroid dehydrogenase 13, 4-{[2,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)benzene-1-sulfonyl]amino}benzoic acid, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Liu, S.
登録日2023-02-22
公開日2023-08-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.645 Å)
主引用文献Structural basis of lipid-droplet localization of 17-beta-hydroxysteroid dehydrogenase 13.
Nat Commun, 14, 2023

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