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PDB: 88675 件

6SAB
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M-BUTX-Ptr1a (Parabuthus transvaalicus)
分子名称: M-BUTX-Ptr1a
著者Meudal, H, Landon, C, Delmas, A.F.
登録日2019-07-16
公開日2020-07-22
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A Venomics Approach Coupled to High-Throughput Toxin Production Strategies Identifies the First Venom-Derived Melanocortin Receptor Agonists.
J.Med.Chem., 63, 2020
6SEH
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Recognition and processing of branched DNA substrates by Slx1-Slx4 nuclease
分子名称: Structure-specific endonuclease subunit SLX1, Structure-specific endonuclease subunit SLX4, ZINC ION
著者Gaur, V, Zajko, W, Nirwal, S, Szlachcic, A, Gapinska, M, Nowotny, M.
登録日2019-07-30
公開日2019-09-25
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Recognition and processing of branched DNA substrates by Slx1-Slx4 nuclease.
Nucleic Acids Res., 47, 2019
7O0Q
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Crystal structure of the human METTL3-METTL14 complex bound to Compound 12 (ADO_AD_066)
分子名称: 3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-8-[6-(methylamino)pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one, ACETATE ION, MAGNESIUM ION, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-26
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Crystal structure of the human METTL3-METTL14 complex bound to Compound 12 (ADO_AD_066)
To Be Published
7L7F
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Cryo-EM structure of human ACE2 receptor bound to protein encoded by vaccine candidate BNT162b1
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein, Envelope glycoprotein fusion
著者Lees, J.A, Han, S.
登録日2020-12-28
公開日2021-02-24
最終更新日2021-04-21
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献BNT162b vaccines protect rhesus macaques from SARS-CoV-2.
Nature, 592, 2021
6SEU
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X-ray structure of the gold/lysozyme adduct formed upon 21h exposure of protein crystals to compound 2
分子名称: 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ...
著者Ferraro, G, Giorgio, A, Merlino, A.
登録日2019-07-30
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Protein-mediated disproportionation of Au(i): insights from the structures of adducts of Au(iii) compounds bearing N,N-pyridylbenzimidazole derivatives with lysozyme.
Dalton Trans, 48, 2019
8BYT
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Outer membrane attachment porin OmpM1 from Veillonella parvula, C3 symmetry
分子名称: S-layer homology domain-containing protein
著者Silale, A, van den Berg, B.
登録日2022-12-13
公開日2023-11-08
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (2.78 Å)
主引用文献Dual function of OmpM as outer membrane tether and nutrient uptake channel in diderm Firmicutes.
Nat Commun, 14, 2023
6V8C
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Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators
分子名称: 3-aminocyclohexa-1,3-diene-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ...
著者Zhu, W, Doubleday, P.T, Catlin, D.S, Weerawarna, P, Butrin, A, Shen, S, Kelleher, N.L, Liu, D, Silverman, R.B.
登録日2019-12-10
公開日2020-12-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators
To Be Published
8BZ2
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BU of 8bz2 by Molmil
Crystal structure of outer membrane attachment porin OmpM1 SLH domain
分子名称: S-layer homology domain-containing protein, SULFATE ION
著者Silale, A, van den Berg, B.
登録日2022-12-14
公開日2023-11-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Dual function of OmpM as outer membrane tether and nutrient uptake channel in diderm Firmicutes.
Nat Commun, 14, 2023
7O0R
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Crystal structure of the human METTL3-METTL14 complex bound to Compound 15 (ADO_AE_026)
分子名称: 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-26
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the human METTL3-METTL14 complex bound to Compound 15 (ADO_AE_026)
To Be Published
7O27
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Crystal structure of the human METTL3-METTL14 complex bound to Compound 17 (ADO_AE_005)
分子名称: 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-30
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the human METTL3-METTL14 complex bound to Compound 17 (ADO_AE_005)
To Be Published
6EY6
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BU of 6ey6 by Molmil
C-terminal part (residues 315-516) of PorM with the llama nanobody nb130
分子名称: T9SS component cytoplasmic membrane protein PorM, nb130
著者Leone, P, Cambillau, C, Roussel, A.
登録日2017-11-10
公開日2018-02-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Type IX secretion system PorM and gliding machinery GldM form arches spanning the periplasmic space.
Nat Commun, 9, 2018
6SG8
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Structure of Sosuga virus receptor binding protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Bowden, T.A, Stelfox, A.J.
登録日2019-08-02
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A structure-based rationale for sialic acid independent host-cell entry of Sosuga virus.
Proc.Natl.Acad.Sci.USA, 116, 2019
7L7K
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Cryo-EM structure of protein encoded by vaccine candidate BNT162b2
分子名称: Spike glycoprotein
著者Lees, J.A, Han, S.
登録日2020-12-28
公開日2021-02-24
最終更新日2021-04-21
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献BNT162b vaccines protect rhesus macaques from SARS-CoV-2.
Nature, 592, 2021
5MCI
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BU of 5mci by Molmil
Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 11.9 MGy
分子名称: Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION
著者Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F.
登録日2016-11-09
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献OH cleavage from tyrosine: debunking a myth.
J Synchrotron Radiat, 24, 2017
5KCW
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BU of 5kcw by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl OBHS-N derivative
分子名称: (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-06-07
公開日2016-11-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
7O28
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Crystal structure of the human METTL3-METTL14 complex bound to Compound 19 (ADO_AE_009)
分子名称: 9-(2-chloranyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-30
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Crystal structure of the human METTL3-METTL14 complex bound to Compound 19 (ADO_AE_009)
To Be Published
5MWG
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Crystal structure of the human BRPF1 bromodomain in complex with BZ091
分子名称: NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
著者Zhu, J, Caflisch, A.
登録日2017-01-18
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
7YML
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Structure of photosynthetic LH1-RC super-complex of Rhodobacter capsulatus
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, BACTERIOCHLOROPHYLL A, ...
著者Tani, K, Kanno, R, Ji, X.-C, Satoh, I, Kobayashi, Y, Nagashima, K.V.P, Hall, M, Yu, L.-J, Kimura, Y, Mizoguchi, A, Humbel, B.M, Madigan, M.T, Wang-Otomo, Z.-Y.
登録日2022-07-28
公開日2023-02-22
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Rhodobacter capsulatus forms a compact crescent-shaped LH1-RC photocomplex.
Nat Commun, 14, 2023
6SAO
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Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Roth, C, Moroz, O.V, Turkenburg, J.P, Blagova, E, Waterman, J, Ariza, A, Ming, L, Tianqi, S, Andersen, C, Davies, G.J, Wilson, K.S.
登録日2019-07-17
公開日2019-10-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural and Functional Characterization of Three Novel Fungal Amylases with Enhanced Stability and pH Tolerance.
Int J Mol Sci, 20, 2019
7O0P
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Crystal structure of the human METTL3-METTL14 complex bound to Compound 10 (ADO_AD_022)
分子名称: 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Dolbois, A, Caflisch, A.
登録日2021-03-26
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the human METTL3-METTL14 complex bound to Compound 10 (ADO_AD_022)
To Be Published
6YNK
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Crystal structure of YTHDC1 with compound DHU_DC1_068
分子名称: 6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-13
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
5KF8
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X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum in complex with glucosamine
分子名称: 1,2-ETHANEDIOL, 2-amino-2-deoxy-beta-D-glucopyranose, 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, ...
著者Holden, H.M, Thoden, J.B, Dopkins, B.J, Tipton, P.A.
登録日2016-06-12
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Studies on a Glucosamine/Glucosaminide N-Acetyltransferase.
Biochemistry, 55, 2016
6FAW
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Crystal structure of C-terminal modified Tau peptide-hybrid 4.2c-I with 14-3-3sigma
分子名称: (2~{R})-2-[(~{R})-[2-(2-methoxyethoxy)phenyl]-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ACE-ARG-THR-PRO-SEP-LEU-PRO-GLY, ...
著者Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G.
登録日2017-12-18
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes.
ACS Chem Neurosci, 9, 2018
8JX8
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rat megalin head
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Goto, S, Tsutsumi, A, Lee, Y, Hosojima, M, Kabasawa, H, Komochi, K, Yun-san, L, Nagatoshi, S, Tsumoto, K, Nishizawa, T, Kikkawa, M, Saito, A.
登録日2023-06-30
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures elucidate the multiligand receptor nature of megalin.
Proc.Natl.Acad.Sci.USA, 121, 2024
7NR2
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The structure of the SBP TarP_Sse in complex with coumarate
分子名称: 4'-HYDROXYCINNAMIC ACID, SULFATE ION, TRAP dicarboxylate transporter, ...
著者Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
登録日2021-03-02
公開日2021-10-06
最終更新日2022-01-26
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022

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