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PDB: 89832 件

6MVI
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Apo Cel45A from Neurospora crassa OR74A
分子名称: Endoglucanase V
著者Kadowaki, M.A.S, Polikarpov, I.
登録日2018-10-25
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural insights into the hydrolysis pattern and molecular dynamics simulations of GH45 subfamily a endoglucanase from Neurospora crassa OR74A.
Biochimie, 165, 2019
8BFC
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Binary structure of 14-3-3s and RND3 phosphopeptide
分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
著者Somsen, B.A, Ottmann, C.
登録日2022-10-24
公開日2023-03-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
6VFC
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DNA Polymerase Mu, 8-oxorGTP:Ct Product State Ternary Complex, 50 mM Mn2+ (2160 min)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Jamsen, J.A, Wilson, S.H.
登録日2020-01-03
公開日2021-09-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献DNA Polymerase Mu, 8-oxorGTP:Ct Product State Ternary Complex, 50 mM Mn2+ (2160 min)
To be published
5I1I
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CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-53/IGKV4-1
分子名称: FAB HEAVY CHAIN, FAB LIGHT CHAIN
著者Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
登録日2016-02-05
公開日2016-06-08
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural diversity in a human antibody germline library.
Mabs, 8, 2016
8DTK
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Structure of RBD directed antibody DH1047 in complex with SARS-CoV-2 spike: Local refinement of RBD-Fab interace
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1047 Fab Heavy Chain, DH1047 Fab Light Chain, ...
著者May, A.J, Manne, K, Acharya, P.
登録日2022-07-25
公開日2023-08-02
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Broadly neutralizing antibody induction by non-stabilized SARS-CoV-2 Spike mRNA vaccination in nonhuman primates.
Biorxiv, 2023
7AKE
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Structure of DYRK1A in complex with compound 58
分子名称: 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-30
公開日2021-05-26
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
8BJN
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Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 6
分子名称: 14-3-3 protein sigma, 3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
著者Somsen, B.A, Ottmann, C.
登録日2022-11-04
公開日2023-03-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
8BM5
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Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 7
分子名称: 14-3-3 protein sigma, 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide, CHLORIDE ION, ...
著者Somsen, B.A, Ottmann, C.
登録日2022-11-10
公開日2023-03-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
6MWX
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CryoEM structure of Chimeric Eastern Equine Encephalitis Virus with Fab of EEEV-69 Antibody
分子名称: E1, E2, EEEV-69 antibody heavy chain, ...
著者Hasan, S.S, Sun, C, Kim, A.S, Watanabe, Y, Chen, C.L, Klose, T, Buda, G, Crispin, M, Diamond, M.S, Klimstra, W.B, Rossmann, M.G.
登録日2018-10-30
公開日2018-12-19
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (8.2 Å)
主引用文献Cryo-EM Structures of Eastern Equine Encephalitis Virus Reveal Mechanisms of Virus Disassembly and Antibody Neutralization.
Cell Rep, 25, 2018
8BIZ
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Cystathionine gamma-lyase from Toxoplasma gondii in complex with cysteine
分子名称: CYSTEINE, Cystathionine beta-lyase, putative, ...
著者Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A.
登録日2022-11-02
公開日2023-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.891 Å)
主引用文献Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine.
Protein Sci., 32, 2023
7AJ4
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Structure of DYRK1A in complex with compound 5
分子名称: 4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
8BIS
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Crystal structure of cystathionine gamma-lyase from Toxoplasma gondii in complex with DL-propargylglycine
分子名称: (2S)-2-aminopent-4-enoic acid, Cystathionine beta-lyase, putative, ...
著者Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A.
登録日2022-11-02
公開日2023-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.266 Å)
主引用文献Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine.
Protein Sci., 32, 2023
7AKH
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BU of 7akh by Molmil
Structure of DYRK2 in complex with compound 58
分子名称: 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-10-01
公開日2021-05-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
5M26
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Crystal structure of hydroquinone 1,2-dioxygenase from Sphingomonas sp. TTNP3 in complex with methylhydroquinone
分子名称: 2-methylbenzene-1,4-diol, FE (III) ION, Hydroquinone dioxygenase large subunit, ...
著者Ferraroni, M, Da Vela, S, Scozzafava, A, Kolvenbach, B, Corvini, P.F.X.
登録日2016-10-12
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structures of native hydroquinone 1,2-dioxygenase from Sphingomonas sp. TTNP3 and of substrate and inhibitor complexes.
Biochim. Biophys. Acta, 1865, 2017
7AKB
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Structure of DYRK1A in complex with compound 56
分子名称: 4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-30
公開日2021-05-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJY
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Structure of DYRK1A in complex with compound 51
分子名称: 4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-29
公開日2021-05-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AKL
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Structure of DYRK1A in complex with compound 50
分子名称: 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-10-01
公開日2021-05-26
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
8BIW
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Cystathionine gamma-lyase N360S mutant in complex with DL-propargylglycine
分子名称: (2S)-2-aminopent-4-enoic acid, Cystathionine beta-lyase, putative, ...
著者Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A.
登録日2022-11-02
公開日2023-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine.
Protein Sci., 32, 2023
7AJ2
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Structure of DYRK1A in complex with compound 3
分子名称: 4-(4-methoxyphenyl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJ8
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Structure of DYRK1A in complex with compound 25
分子名称: 4-(1-benzofuran-5-yl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7MB9
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SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp10/11 (P6-P1)
分子名称: 3C-like proteinase, ARG-GLU-PRO-MET-LEU-GLN
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7AKF
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Structure of DYRK2 in complex with compound 50
分子名称: 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-30
公開日2021-05-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
8BIU
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BU of 8biu by Molmil
Cystathionine gamma-lyase in complex with cystathionine
分子名称: 2-KETOBUTYRIC ACID, Cystathionine beta-lyase, putative, ...
著者Fernandez-Rodriguez, C, Conter, C, Oyenarte, I, Favretto, F, Quintana, I, Martinez-Chantar, M.L, Astegno, A, Martinez-Cruz, L.A.
登録日2022-11-02
公開日2023-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine.
Protein Sci., 32, 2023
7MB4
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SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp4/5 (P6-P1)
分子名称: 3C-like proteinase, THR-SER-ALA-VAL-LEU-GLN
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7MB8
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SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp8/9 (P6-P1)
分子名称: 3C-like proteinase, SER-ALA-VAL-LYS-LEU-GLN
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022

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件を2024-11-13に公開中

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