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7W66
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BU of 7w66 by Molmil
Crystal structure of a PSH1 mutant in complex with ligand
分子名称: PSH1, bis(2-hydroxyethyl) benzene-1,4-dicarboxylate
著者Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
登録日2021-12-01
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
7W6C
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BU of 7w6c by Molmil
Crystal structure of a PSH1 in complex with ligand J1K
分子名称: 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1
著者Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
登録日2021-12-01
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
7W69
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BU of 7w69 by Molmil
Crystal structure of a PSH1 mutant in complex with EDO
分子名称: 1,2-ETHANEDIOL, PSH1
著者Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
登録日2021-12-01
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
7W6O
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BU of 7w6o by Molmil
Crystal structure of a PSH1 in complex with J1K
分子名称: 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1
著者Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
登録日2021-12-02
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
7W6Q
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BU of 7w6q by Molmil
Crystal structure of a PSH1 in complex with ligand J1K
分子名称: 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1
著者Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
登録日2021-12-02
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
5KCJ
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BU of 5kcj by Molmil
Structure of the human GluN1/GluN2A LBD in complex with GNE6901
分子名称: 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one, ACETATE ION, GLUTAMIC ACID, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2016-06-06
公開日2016-07-13
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function.
Neuron, 89, 2016
8FBC
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BU of 8fbc by Molmil
Crystal structure of P450T2
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Pereira, J.H, Huang, J, Keasling, J, Adams, P.D.
登録日2022-11-29
公開日2023-05-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Complete integration of carbene-transfer chemistry into biosynthesis.
Nature, 617, 2023
2LWF
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BU of 2lwf by Molmil
Structure of N-terminal domain of a plant Grx
分子名称: Monothiol glutaredoxin-S16, chloroplastic
著者Feng, Y.
登録日2012-07-28
公開日2013-05-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural insights into the N-terminal GIY-YIG endonuclease activity of Arabidopsis glutaredoxin AtGRXS16 in chloroplasts.
Proc.Natl.Acad.Sci.USA, 110, 2013
8G8D
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BU of 8g8d by Molmil
Crystal structure of DH1346 Fab in complex with HIV proximal MPER peptide
分子名称: DH1346 heavy chain, DH1346 light chain, FLUORIDE ION, ...
著者Niyongabo, A, Janus, B.M, Ofek, G.
登録日2023-02-17
公開日2024-05-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 187, 2024
8G8A
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BU of 8g8a by Molmil
Crystal structure of DH1317.8 Fab in complex with HIV proximal MPER peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1317.8 heavy chain, DH1317.8 light chain, ...
著者Janus, B.M, Astavans, A, Ofek, G.
登録日2023-02-17
公開日2024-05-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 187, 2024
7MD4
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BU of 7md4 by Molmil
Insulin receptor ectodomain dimer complexed with two IRPA-3 partial agonists
分子名称: Insulin B chain, Insulin chain A, Isoform Short of Insulin receptor, ...
著者Gomez-Llorente, Y, Zhou, H, Scapin, G.
登録日2021-04-03
公開日2022-02-23
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Functionally selective signaling and broad metabolic benefits by novel insulin receptor partial agonists.
Nat Commun, 13, 2022
7MD5
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BU of 7md5 by Molmil
Insulin receptor ectodomain dimer complexed with two IRPA-9 partial agonists
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gomez-Llorente, Y, Zhou, H, Scapin, G.
登録日2021-04-03
公開日2022-02-23
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (5.2 Å)
主引用文献Functionally selective signaling and broad metabolic benefits by novel insulin receptor partial agonists.
Nat Commun, 13, 2022
6GMM
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BU of 6gmm by Molmil
Crystal structure of Helicobacter pylori adhesin LabA
分子名称: adhesin LabA
著者Paraskevopoulou, V, Overman, R.C, Stolnik, S, Winkler, S, Gellert, P, Falcone, F.H, Schimpl, M.
登録日2018-05-27
公開日2019-12-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural and binding characterization of the LacdiNAc-specific adhesin (LabA; HopD) exodomain from Helicobacter pylori
Current Research in Structural Biology, 2021
8Z5J
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BU of 8z5j by Molmil
Beta-catenin Crystal Structure
分子名称: Catenin beta-1
著者Tim, F.
登録日2024-04-18
公開日2024-05-22
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting beta-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells.
J.Med.Chem., 2024
8Z61
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BU of 8z61 by Molmil
Human beta-catenin crystal structure
分子名称: Catenin beta-1
著者Tim, F.
登録日2024-04-18
公開日2024-05-08
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting beta-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells.
J.Med.Chem., 2024
5WVW
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BU of 5wvw by Molmil
The crystal structure of Cren7 mutant L28A in complex with dsDNA
分子名称: Chromatin protein Cren7, DNA (5'-D(*GP*TP*GP*AP*TP*CP*AP*C)-3')
著者Zhang, Z.F, Zhao, M.H, Wang, L, Chen, Y.Y, Dong, Y.H, Gong, Y, Huang, L.
登録日2016-12-29
公開日2017-04-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Roles of Leu28 side chain intercalation in the interaction between Cren7 and DNA
Biochem. J., 474, 2017
8G8C
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BU of 8g8c by Molmil
Crystal structure of DH1322.1 Fab in complex with HIV proximal MPER peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1322.1 heavy chain, DH1322.1 light chain, ...
著者Niyongabo, A, Janus, B.M, Ofek, G.
登録日2023-02-17
公開日2024-05-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 187, 2024
5JRC
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BU of 5jrc by Molmil
Crystal structure of NeC3PO in complex with ssRNA.
分子名称: CALCIUM ION, NEQ131, ssRNA
著者Zhang, J, Gan, J.
登録日2016-05-06
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for single-stranded RNA recognition and cleavage by C3PO
Nucleic Acids Res., 44, 2016
5WWC
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BU of 5wwc by Molmil
The crystal structure of Cren7 mutant L28M in complex with dsDNA
分子名称: Chromatin protein Cren7, DNA (5'-D(*GP*TP*AP*AP*TP*TP*AP*C)-3')
著者Zhang, Z.F, Zhao, M.H, Wang, L, Chen, Y.Y, Dong, Y.H, Gong, Y, Huang, L.
登録日2016-12-31
公開日2017-04-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Roles of Leu28 side chain intercalation in the interaction between Cren7 and DNA
Biochem. J., 474, 2017
2NV4
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BU of 2nv4 by Molmil
Crystal structure of UPF0066 protein AF0241 in complex with S-adenosylmethionine. Northeast Structural Genomics Consortium target GR27
分子名称: ACETATE ION, S-ADENOSYLMETHIONINE, UPF0066 protein AF_0241
著者Kuzin, A.P, Abashidze, M, Seetharaman, J, Vorobiev, S.M, Fang, Y, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-11-10
公開日2006-11-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Functional insights from structural genomics.
J.Struct.Funct.Genom., 8, 2007
5EVZ
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BU of 5evz by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with ADP and inorganic phosphate
分子名称: 78 kDa glucose-regulated protein, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
登録日2015-11-20
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5WVY
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BU of 5wvy by Molmil
The crystal structure of Cren7 mutant L28V in complex with dsDNA
分子名称: Chromatin protein Cren7, DNA (5'-D(*GP*TP*GP*AP*TP*CP*AP*C)-3')
著者Zhang, Z.F, Zhao, M.H, Wang, L, Chen, Y.Y, Dong, Y.H, Gong, Y, Huang, L.
登録日2016-12-29
公開日2017-04-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Roles of Leu28 side chain intercalation in the interaction between Cren7 and DNA
Biochem. J., 474, 2017
8X5D
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BU of 8x5d by Molmil
The cryo-EM structure of the Mycobacterium tuberculosis CRISPR-Csm complex
分子名称: CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm5, Csm2, ...
著者Liu, M.X, Li, Z.K.
登録日2023-11-17
公開日2024-03-06
最終更新日2024-07-31
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Type-III-A structure of mycobacteria CRISPR-Csm complexes involving atypical crRNAs.
Int.J.Biol.Macromol., 260, 2024
5F2R
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BU of 5f2r by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with AMP-PCP
分子名称: 78 kDa glucose-regulated protein, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
登録日2015-12-02
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5EXW
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BU of 5exw by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 7-deaza-ATP
分子名称: 7-deazaadenosine-5'-triphosphate, 78 kDa glucose-regulated protein
著者Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
登録日2015-11-24
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016

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