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7KY0
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BU of 7ky0 by Molmil
Inactive conformation of EGFR (T790M/V948R) kinase in complex with BI-4020
Descriptor: (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
Authors:Beyett, T.S, Eck, M.J.
Deposit date:2020-12-06
Release date:2022-01-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Analysis of the Macrocyclic Inhibitor BI-4020 Binding to EGFR Kinase.
Chemmedchem, 2024
7ARX
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BU of 7arx by Molmil
Crystal structure of the catalytic fragment of masp-1 in complex with SFMI1
Descriptor: DI(HYDROXYETHYL)ETHER, Mannan-binding lectin serine protease 1, SFMI1 - Sunflower MASP1 inhibitor
Authors:Durvanger, Z, Harmat, V, Dobo, J, Megyeri, M.
Deposit date:2020-10-26
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.42 Å)
Cite: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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BU of 7t8s by Molmil
Light Harvesting complex phycoerythrin PE 566, from the cryptophyte Cryptomonas pyrenoidifera
Descriptor: Bilin 584 (doubly linked), Bilin 584 (single linked), Bilin 618 (single linked), ...
Authors:Michie, K.A, Harrop, S.J, Rathbone, H.W, Wilk, K.E, Curmi, P.M.G.
Deposit date:2021-12-17
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins.
Protein Sci., 32, 2023
7EWK
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BU of 7ewk by Molmil
Barley photosystem I-LHCI-Lhca6 supercomplex
Descriptor: (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, ...
Authors:Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R.
Deposit date:2021-05-25
Release date:2022-01-12
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
7Q7T
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BU of 7q7t by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 7
Descriptor: 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, ...
Authors:Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2021-11-09
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors.
J.Med.Chem., 65, 2022
7AX3
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BU of 7ax3 by Molmil
CryoEM structure of the super-constricted two-start dynamin 1 filament
Descriptor: Dynamin-1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Authors:Liu, J.W, Zhang, P.J.
Deposit date:2020-11-09
Release date:2021-11-10
Method:ELECTRON MICROSCOPY (3.74 Å)
Cite:CryoEM structure of the super-constricted two-start dynamin 1 filament.
Nat Commun, 12, 2021
7QK0
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BU of 7qk0 by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 12a
Descriptor: (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, ...
Authors:Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2021-12-17
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo .
J.Med.Chem., 65, 2022
2XZ0
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BU of 2xz0 by Molmil
The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Acyl Carrier Protein.
Descriptor: 1,2-ETHANEDIOL, ACYL CARRIER PROTEIN 1, CHLOROPLASTIC, ...
Authors:Moche, M, Guy, J.E, Whittle, E, Lengqvist, J, Shanklin, J, Lindqvist, Y.
Deposit date:2010-11-22
Release date:2011-09-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Remote Control of Regioselectivity in Acyl-Acyl Carrier Protein-Desaturases.
Proc.Natl.Acad.Sci.USA, 108, 2011
5LCT
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BU of 5lct by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a R-methyl-piperazine substituted Fasudil-derivative (Ligand 02)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[(2~{R})-2-methylpiperazin-1-yl]sulfonylisoquinoline, METHANOL, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-06-22
Release date:2018-01-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.615 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
7L1T
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BU of 7l1t by Molmil
Crystal structure of human holo SepSecS
Descriptor: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, O-phosphoseryl-tRNA(Sec) selenium transferase, PHOSPHATE ION
Authors:Puppala, A, Castillo Suchkou, J, Simonovic, M.
Deposit date:2020-12-15
Release date:2022-02-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for the tRNA-dependent activation of the terminal complex of selenocysteine synthesis in humans.
Nucleic Acids Res., 2023
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
Descriptor: Plectin
Authors:Pulavarti, S, Eletsky, A, Huang, Y, Janjua, H, Xiao, R, Acton, T, Everett, J, Montelione, G, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-03-04
Release date:2015-05-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure plectin repeat domain 6 (4403-4606) of Plectin from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR6354E
To be Published
5LFY
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BU of 5lfy by Molmil
Zinc bound dimer of the fragment of human amyloid-beta peptide with Alzheimer's disease pathogenic Taiwanese mutation D7H
Descriptor: Amyloid beta A4 protein, ZINC ION
Authors:Polshakov, V.I, Mantsyzov, A.B, Kozin, S.A.
Deposit date:2016-07-05
Release date:2017-08-23
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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)
Descriptor: AVR-Pik protein, Resistance protein Pikp-1
Authors:Maidment, J.H.R, Banfield, M.J.
Deposit date:2022-01-05
Release date:2022-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, tRNA N(3)-methylcytidine methyltransferase METTL6
Authors:Xie, W, Chen, R, Zhou, J, Liu, L.
Deposit date:2021-06-01
Release date:2022-01-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human METTL6, the m 3 C methyltransferase.
Commun Biol, 4, 2021
7QV6
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BU of 7qv6 by Molmil
Amyloid fibril from the antimicrobial peptide aurein 3.3
Descriptor: Aurein-3.3
Authors:Buecker, R, Seuring, C, Cazey, C, Veith, K, Garcia-Alai, M, Gruenewald, K, Landau, M.
Deposit date:2022-01-19
Release date:2022-06-29
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The Cryo-EM structures of two amphibian antimicrobial cross-beta amyloid fibrils.
Nat Commun, 13, 2022
7KQL
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BU of 7kql by Molmil
Anti-Tim3 antibody Fab complex
Descriptor: GLYCEROL, Hepatitis A virus cellular receptor 2, Tim3.18 Fab heavy chain, ...
Authors:Deng, X.A, West, S.M, Strop, P.
Deposit date:2020-11-16
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Tim-3 mediates T cell trogocytosis to limit antitumor immunity.
J.Clin.Invest., 132, 2022
7QV5
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BU of 7qv5 by Molmil
Amyloid fibril from the antimicrobial peptide uperin 3.5
Descriptor: Uperin-3.5
Authors:Buecker, R, Seuring, C, Cazey, C, Veith, K, Garcia-Alai, M, Gruenewald, K, Landau, M.
Deposit date:2022-01-19
Release date:2022-06-29
Last modified:2022-08-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The Cryo-EM structures of two amphibian antimicrobial cross-beta amyloid fibrils.
Nat Commun, 13, 2022
7F1E
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BU of 7f1e by Molmil
Structure of METTL6 bound with SAM
Descriptor: S-ADENOSYLMETHIONINE, tRNA N(3)-methylcytidine methyltransferase METTL6
Authors:Li, S, Liao, S, Xu, C.
Deposit date:2021-06-09
Release date:2022-01-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.589 Å)
Cite:Structural basis for METTL6-mediated m3C RNA methylation.
Biochem.Biophys.Res.Commun., 589, 2021
7B3A
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BU of 7b3a by Molmil
Crystal structure of PamZ
Descriptor: ACETATE ION, ACETYL COENZYME *A, CHLORIDE ION, ...
Authors:Loll, B, Dang, T, Mainz, A, Suessmuth, R, Wahl, M.C.
Deposit date:2020-11-30
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Molecular basis of antibiotic self-resistance in a bee larvae pathogen.
Nat Commun, 13, 2022
7ER9
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BU of 7er9 by Molmil
Crystal structure of human Biliverdin IX-beta reductase B with Febuxostat (TEI)
Descriptor: 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID, Flavin reductase (NADPH), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Griesinger, C, Lee, D, Ryu, K.S, Kim, M, Ha, J.H.
Deposit date:2021-05-06
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
7Q69
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BU of 7q69 by Molmil
Crystal structure of Chaetomium thermophilum C30S Ahp1 in the pre-reaction state
Descriptor: GLYCEROL, SULFATE ION, Thioredoxin domain-containing protein
Authors:Ravichandran, K.E, Wilk, P, Grudnik, P, Glatt, S.
Deposit date:2021-11-05
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:E2/E3-independent ubiquitin-like protein conjugation by Urm1 is directly coupled to cysteine persulfidation.
Embo J., 41, 2022
2MVW
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BU of 2mvw by Molmil
Solution structure of the TRIM19 B-box1 (B1) of human promyelocytic leukemia (PML)
Descriptor: Protein PML, ZINC ION
Authors:Huang, S, Naik, M.T, Fan, P, Wang, Y, Chang, C, Huang, T.
Deposit date:2014-10-17
Release date:2014-11-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: MOCO CARRIER PROTEIN
Authors:Fischer, K, Llamas, A, Tejada-Jimenez, M, Schrader, N, Kuper, J, Mendel, R.R, Fernandez, E, Schwarz, G.
Deposit date:2006-07-25
Release date:2006-07-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Function and Structure of the Molybdenum Cofactor Carrier Protein from Chlamydomonas Reinhardtii.
J.Biol.Chem., 281, 2006
7QWZ
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BU of 7qwz by Molmil
Full capsid of Saccharomyces cerevisiae virus L-BCLa
Descriptor: Major capsid protein
Authors:Grybchuk, D, Prochazkova, M, Fuzik, T, Konovalovas, A, Serva, S, Yurchenko, V, Plevka, P.
Deposit date:2022-01-26
Release date:2022-09-07
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structures of L-BC virus and its open particle provide insight into Totivirus capsid assembly.
Commun Biol, 5, 2022
7KRG
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BU of 7krg by Molmil
Crystal Structure of Mannitol Dehydrogenase (ChMDH) from Cladosporium herbarum in complex with NADP+ and Na
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent mannitol dehydrogenase, SODIUM ION
Authors:Lee, S.G, Jez, J.M.
Deposit date:2020-11-19
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.03797364 Å)
Cite: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

224004

數據於2024-08-21公開中

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