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7KY0
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Inactive conformation of EGFR (T790M/V948R) kinase in complex with BI-4020
分子名称: (20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one, Epidermal growth factor receptor
著者Beyett, T.S, Eck, M.J.
登録日2020-12-06
公開日2022-01-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Analysis of the Macrocyclic Inhibitor BI-4020 Binding to EGFR Kinase.
Chemmedchem, 2024
7ARX
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Crystal structure of the catalytic fragment of masp-1 in complex with SFMI1
分子名称: DI(HYDROXYETHYL)ETHER, Mannan-binding lectin serine protease 1, SFMI1 - Sunflower MASP1 inhibitor
著者Durvanger, Z, Harmat, V, Dobo, J, Megyeri, M.
登録日2020-10-26
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Directed Evolution-Driven Increase of Structural Plasticity Is a Prerequisite for Binding the Complement Lectin Pathway Blocking MASP-Inhibitor Peptides.
Acs Chem.Biol., 17, 2022
7T8S
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Light Harvesting complex phycoerythrin PE 566, from the cryptophyte Cryptomonas pyrenoidifera
分子名称: Bilin 584 (doubly linked), Bilin 584 (single linked), Bilin 618 (single linked), ...
著者Michie, K.A, Harrop, S.J, Rathbone, H.W, Wilk, K.E, Curmi, P.M.G.
登録日2021-12-17
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins.
Protein Sci., 32, 2023
7EWK
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Barley photosystem I-LHCI-Lhca6 supercomplex
分子名称: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R.
登録日2021-05-25
公開日2022-01-12
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
7Q7T
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Crystal structure of human BCL6 BTB domain in complex with compound 7
分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[(2S)-2,7-dimethyl-5,6-bis(oxidanylidene)-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2021-11-09
公開日2022-06-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors.
J.Med.Chem., 65, 2022
7AX3
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CryoEM structure of the super-constricted two-start dynamin 1 filament
分子名称: Dynamin-1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
著者Liu, J.W, Zhang, P.J.
登録日2020-11-09
公開日2021-11-10
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献CryoEM structure of the super-constricted two-start dynamin 1 filament.
Nat Commun, 12, 2021
7QK0
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Crystal structure of human BCL6 BTB domain in complex with compound 12a
分子名称: (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ...
著者Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2021-12-17
公開日2022-06-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo .
J.Med.Chem., 65, 2022
2XZ0
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The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Acyl Carrier Protein.
分子名称: 1,2-ETHANEDIOL, ACYL CARRIER PROTEIN 1, CHLOROPLASTIC, ...
著者Moche, M, Guy, J.E, Whittle, E, Lengqvist, J, Shanklin, J, Lindqvist, Y.
登録日2010-11-22
公開日2011-09-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Remote Control of Regioselectivity in Acyl-Acyl Carrier Protein-Desaturases.
Proc.Natl.Acad.Sci.USA, 108, 2011
5LCT
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Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a R-methyl-piperazine substituted Fasudil-derivative (Ligand 02)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[(2~{R})-2-methylpiperazin-1-yl]sulfonylisoquinoline, METHANOL, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-06-22
公開日2018-01-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.615 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
2N03
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BU of 2n03 by Molmil
Solution NMR Structure plectin repeat domain 6 (4403-4606) of Plectin from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR6354E
分子名称: Plectin
著者Pulavarti, S, Eletsky, A, Huang, Y, Janjua, H, Xiao, R, Acton, T, Everett, J, Montelione, G, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2015-03-04
公開日2015-05-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR Structure plectin repeat domain 6 (4403-4606) of Plectin from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR6354E
To be Published
7L1T
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Crystal structure of human holo SepSecS
分子名称: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, O-phosphoseryl-tRNA(Sec) selenium transferase, PHOSPHATE ION
著者Puppala, A, Castillo Suchkou, J, Simonovic, M.
登録日2020-12-15
公開日2022-02-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for the tRNA-dependent activation of the terminal complex of selenocysteine synthesis in humans.
Nucleic Acids Res., 2023
5LFY
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Zinc bound dimer of the fragment of human amyloid-beta peptide with Alzheimer's disease pathogenic Taiwanese mutation D7H
分子名称: Amyloid beta A4 protein, ZINC ION
著者Polshakov, V.I, Mantsyzov, A.B, Kozin, S.A.
登録日2016-07-05
公開日2017-08-23
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A Binuclear Zinc Interaction Fold Discovered in the Homodimer of Alzheimer's Amyloid-beta Fragment with Taiwanese Mutation D7H.
Angew. Chem. Int. Ed. Engl., 56, 2017
7QPX
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BU of 7qpx by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikC with an engineered HMA domain of Pikp-1 (Pikp-SNK-EKE) from rice (Oryza sativa)
分子名称: AVR-Pik protein, Resistance protein Pikp-1
著者Maidment, J.H.R, Banfield, M.J.
登録日2022-01-05
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Effector target-guided engineering of an integrated domain expands the disease resistance profile of a rice NLR immune receptor.
Elife, 12, 2023
7EZG
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BU of 7ezg by Molmil
The structure of the human METTL6 enzyme in complex with SAH
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, tRNA N(3)-methylcytidine methyltransferase METTL6
著者Xie, W, Chen, R, Zhou, J, Liu, L.
登録日2021-06-01
公開日2022-01-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of human METTL6, the m 3 C methyltransferase.
Commun Biol, 4, 2021
7QV6
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Amyloid fibril from the antimicrobial peptide aurein 3.3
分子名称: Aurein-3.3
著者Buecker, R, Seuring, C, Cazey, C, Veith, K, Garcia-Alai, M, Gruenewald, K, Landau, M.
登録日2022-01-19
公開日2022-06-29
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The Cryo-EM structures of two amphibian antimicrobial cross-beta amyloid fibrils.
Nat Commun, 13, 2022
7KQL
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Anti-Tim3 antibody Fab complex
分子名称: GLYCEROL, Hepatitis A virus cellular receptor 2, Tim3.18 Fab heavy chain, ...
著者Deng, X.A, West, S.M, Strop, P.
登録日2020-11-16
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Tim-3 mediates T cell trogocytosis to limit antitumor immunity.
J.Clin.Invest., 132, 2022
7QV5
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Amyloid fibril from the antimicrobial peptide uperin 3.5
分子名称: Uperin-3.5
著者Buecker, R, Seuring, C, Cazey, C, Veith, K, Garcia-Alai, M, Gruenewald, K, Landau, M.
登録日2022-01-19
公開日2022-06-29
最終更新日2022-08-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The Cryo-EM structures of two amphibian antimicrobial cross-beta amyloid fibrils.
Nat Commun, 13, 2022
7F1E
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Structure of METTL6 bound with SAM
分子名称: S-ADENOSYLMETHIONINE, tRNA N(3)-methylcytidine methyltransferase METTL6
著者Li, S, Liao, S, Xu, C.
登録日2021-06-09
公開日2022-01-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.589 Å)
主引用文献Structural basis for METTL6-mediated m3C RNA methylation.
Biochem.Biophys.Res.Commun., 589, 2021
7B3A
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Crystal structure of PamZ
分子名称: ACETATE ION, ACETYL COENZYME *A, CHLORIDE ION, ...
著者Loll, B, Dang, T, Mainz, A, Suessmuth, R, Wahl, M.C.
登録日2020-11-30
公開日2021-11-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Molecular basis of antibiotic self-resistance in a bee larvae pathogen.
Nat Commun, 13, 2022
7Q69
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Crystal structure of Chaetomium thermophilum C30S Ahp1 in the pre-reaction state
分子名称: GLYCEROL, SULFATE ION, Thioredoxin domain-containing protein
著者Ravichandran, K.E, Wilk, P, Grudnik, P, Glatt, S.
登録日2021-11-05
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献E2/E3-independent ubiquitin-like protein conjugation by Urm1 is directly coupled to cysteine persulfidation.
Embo J., 41, 2022
7ER9
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Crystal structure of human Biliverdin IX-beta reductase B with Febuxostat (TEI)
分子名称: 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H.
登録日2021-05-06
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target.
J.Med.Chem., 65, 2022
2MVW
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Solution structure of the TRIM19 B-box1 (B1) of human promyelocytic leukemia (PML)
分子名称: Protein PML, ZINC ION
著者Huang, S, Naik, M.T, Fan, P, Wang, Y, Chang, C, Huang, T.
登録日2014-10-17
公開日2014-11-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The B-box 1 dimer of human promyelocytic leukemia protein.
J.Biomol.Nmr, 60, 2014
2IZ5
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BU of 2iz5 by Molmil
FUNCTION AND STRUCTURE OF THE MOLYBDENUM COFACTOR CARRIER PROTEIN MCP FROM CHLAMYDOMONAS REINHARDTII
分子名称: MOCO CARRIER PROTEIN
著者Fischer, K, Llamas, A, Tejada-Jimenez, M, Schrader, N, Kuper, J, Mendel, R.R, Fernandez, E, Schwarz, G.
登録日2006-07-25
公開日2006-07-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Function and Structure of the Molybdenum Cofactor Carrier Protein from Chlamydomonas Reinhardtii.
J.Biol.Chem., 281, 2006
7QWZ
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Full capsid of Saccharomyces cerevisiae virus L-BCLa
分子名称: Major capsid protein
著者Grybchuk, D, Prochazkova, M, Fuzik, T, Konovalovas, A, Serva, S, Yurchenko, V, Plevka, P.
登録日2022-01-26
公開日2022-09-07
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structures of L-BC virus and its open particle provide insight into Totivirus capsid assembly.
Commun Biol, 5, 2022
7KRG
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Crystal Structure of Mannitol Dehydrogenase (ChMDH) from Cladosporium herbarum in complex with NADP+ and Na
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent mannitol dehydrogenase, SODIUM ION
著者Lee, S.G, Jez, J.M.
登録日2020-11-19
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.03797364 Å)
主引用文献Biochemical and clinical studies of putative allergens to assess what distinguishes them from other non-allergenic proteins in the same family.
Transgenic Res, 31, 2022

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