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8CKO
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BU of 8cko by Molmil
PBP AccA from A.tumefaciens C58 in complex with agrocinopine C-like
分子名称: 2-O-phosphono-alpha-D-glucopyranose, 2-O-phosphono-beta-D-glucopyranose, ABC transporter substrate-binding protein, ...
著者Morera, S, Vigouroux, A.
登録日2023-02-16
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.421 Å)
主引用文献A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8C6U
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BU of 8c6u by Molmil
PBP AccA-G145YG440Q mutant from A. tumefaciens Bo542 in apoform 4
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Agrocinopine utilization periplasmic binding protein AccA, ...
著者Morera, S, Vigouroux, A, Legrand, P.
登録日2023-01-12
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.843 Å)
主引用文献A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CAW
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BU of 8caw by Molmil
PBP AccA from A. tumefaciens Bo542 in complex with agrocin84
分子名称: 1,2-ETHANEDIOL, Agrocinopine utilization periplasmic binding protein AccA, [(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-N-[9-[(2R,3S,5R)-5-[[[(2R,3S)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid, ...
著者Morera, S, Vigouroux, A, El Sahili, A.
登録日2023-01-24
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.256 Å)
主引用文献A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CH3
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BU of 8ch3 by Molmil
PBP AccA from A. vitis S4 in complex with Agrocinopine C-like
分子名称: 2-O-phosphono-alpha-D-glucopyranose, Agrocinopine utilization periplasmic binding protein AccA, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Morera, S, Vigouroux, A.
登録日2023-02-06
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.398 Å)
主引用文献A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CH2
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BU of 8ch2 by Molmil
PBP AccA from A. vitis S4 in complex with L-arabinose-2-phosphate (A2P)
分子名称: 1,2-ETHANEDIOL, 2-O-phosphono-alpha-L-arabinopyranose, 2-O-phosphono-beta-L-arabinopyranose, ...
著者Morera, S, Deicsics, G, Vigouroux, A.
登録日2023-02-06
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.404 Å)
主引用文献A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CKE
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BU of 8cke by Molmil
PBP AccA from A.tumefaciens C58 in complex with agrocinopine A in space group I222
分子名称: 1,2-ETHANEDIOL, 2-O-phosphono-alpha-L-arabinopyranose, 2-O-phosphono-beta-L-arabinopyranose, ...
著者Morera, S, Vigouroux, A.
登録日2023-02-15
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.298 Å)
主引用文献A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8C6W
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BU of 8c6w by Molmil
PBP AccA from A. tumefaciens Bo542 in apoform 1
分子名称: Agrocinopine utilization periplasmic binding protein AccA
著者Morera, S, Vigouroux, A, Legrand, P.
登録日2023-01-12
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CH1
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BU of 8ch1 by Molmil
PBP AccA from A. vitis S4 in complex with Agrocinopine A
分子名称: 1,2-ETHANEDIOL, 2-O-phosphono-alpha-L-arabinopyranose, 2-O-phosphono-beta-L-arabinopyranose, ...
著者Morera, S, Vigouroux, A.
登録日2023-02-06
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.496 Å)
主引用文献A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CKD
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BU of 8ckd by Molmil
PBP AccA from A. fabrum C58 in complex with agrocinopine D-like
分子名称: 1,2-ETHANEDIOL, ABC transporter substrate-binding protein, Agrocinopine D-like (C2-C2 linked; with an alpha and beta-D-glucopyranose), ...
著者Morera, S, Vigouroux, A.
登録日2023-02-15
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CHC
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BU of 8chc by Molmil
PBP AccA from A. vitis S4 in complex with Agrocinopine D-like
分子名称: Agrocinopine D-like (C2-C2 linked; with two alpha-D-glucopyranoses), Agrocinopine utilization periplasmic binding protein AccA
著者Morera, S, Vigouroux, A, Deicsics, G.
登録日2023-02-07
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.679 Å)
主引用文献A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
5P9G
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BU of 5p9g by Molmil
Structure of BTK with RN486
分子名称: 6-cyclopropyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]isoquinolin-1-one, Tyrosine-protein kinase BTK
著者Gardberg, A.S.
登録日2016-09-20
公開日2017-05-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
8R4B
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BU of 8r4b by Molmil
Roco protein from C. tepidum in the GTP state bound to the activating Nanobodies NbRoco1 and NbRoco2
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, NbRoco1, NbRoco2, ...
著者Galicia, C, Versees, W.
登録日2023-11-13
公開日2024-05-01
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Structural insights into the GTP-driven monomerization and activation of a bacterial LRRK2 homolog using allosteric nanobodies.
Elife, 13, 2024
5P9M
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BU of 5p9m by Molmil
BTK1 BINDS COVALENTLY TO HY-15771 ONO-4059
分子名称: 6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
著者Gardberg, A.S.
登録日2016-09-20
公開日2017-05-24
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
8EYW
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BU of 8eyw by Molmil
Beetroot dimer bound to ThT
分子名称: 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium, POTASSIUM ION, RNA (49-MER)
著者Passalacqua, L.F.M, Ferre-D'Amare, A.R.
登録日2022-10-28
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture.
Nat Commun, 14, 2023
8EYU
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BU of 8eyu by Molmil
Structure of Beetroot dimer bound to DFAME
分子名称: POTASSIUM ION, RNA (49-MER), methyl (2E)-3-{(4Z)-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}prop-2-enoate
著者Passalacqua, L.F.M, Ferre-D'Amare, A.R.
登録日2022-10-28
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture.
Nat Commun, 14, 2023
8EYV
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BU of 8eyv by Molmil
Structure of Beetroot dimer bound to DFHO
分子名称: (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, POTASSIUM ION, RNA (45-MER)
著者Passalacqua, L.F.M, Ferre-D'Amare, A.R.
登録日2022-10-28
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture.
Nat Commun, 14, 2023
8F0N
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BU of 8f0n by Molmil
Wobble Beetroot (A16U-U38G) dimer bound to DFHO
分子名称: (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, POTASSIUM ION, RNA (49-MER)
著者Passalacqua, L.F.M, Ferre-D'Amare, A.R.
登録日2022-11-03
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture.
Nat Commun, 14, 2023
5H7D
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BU of 5h7d by Molmil
Crystal structure of the YgjG-protein A-Zpa963-calmodulin complex
分子名称: CALCIUM ION, Putrescine aminotransferase,Immunoglobulin G-binding protein A, Zpa963,Calmodulin
著者Youn, S.J, Kwon, N.Y, Lee, J.H, Kim, J.H, Lee, H, Lee, J.O.
登録日2016-11-17
公開日2017-06-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Construction of novel repeat proteins with rigid and predictable structures using a shared helix method.
Sci Rep, 7, 2017
5VIH
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BU of 5vih by Molmil
Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 4-fluorophenyl-ACEPC
分子名称: 5-[(2R)-2-amino-2-carboxyethyl]-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCINE, ...
著者Mou, T.-C, Conti, P, Pinto, A, Tamborini, L, Sprang, S.R, Hansen, K.B.
登録日2017-04-16
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis of subunit selectivity for competitive NMDA receptor antagonists with preference for GluN2A over GluN2B subunits.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5VIJ
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BU of 5vij by Molmil
Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 4-bromophenyl-ACEPC
分子名称: 5-[(2R)-2-amino-2-carboxyethyl]-1-(4-bromophenyl)-1H-pyrazole-3-carboxylic acid, GLYCINE, Glutamate receptor ionotropic, ...
著者Mou, T.-C, Conti, P, Pinto, A, Tamborini, L, Sprang, S.R, Hansen, K.B.
登録日2017-04-16
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.105 Å)
主引用文献Structural basis of subunit selectivity for competitive NMDA receptor antagonists with preference for GluN2A over GluN2B subunits.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5P9K
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BU of 5p9k by Molmil
CRYSTAL STRUCTURE OF BTK with CNX 774
分子名称: 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide, Tyrosine-protein kinase BTK
著者Gardberg, A.S.
登録日2016-09-20
公開日2017-05-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
4IY6
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BU of 4iy6 by Molmil
Crystal structure of the GLUA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and ME-CX516 at 1.72 A resolution
分子名称: GLUTAMIC ACID, GLYCEROL, Glutamate receptor 2, ...
著者Krintel, C, Frydenvang, K, Harpsoe, K, Gajhede, M, Kastrup, J.S.
登録日2013-01-28
公開日2013-10-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural analysis of the positive AMPA receptor modulators CX516 and Me-CX516 in complex with the GluA2 ligand-binding domain
Acta Crystallogr.,Sect.D, 69, 2013
5TSO
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BU of 5tso by Molmil
CRYSTAL STRUCTURE OF GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM PIG MUSCLE COMPLEXED WITH ORTHOPHENANTHROLINE AT 1.90 ANGSTROM RESOLUTION
分子名称: 1,10-PHENANTHROLINE, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, ...
著者Dimova, M, Devedjiev, Y.D.
登録日2016-10-30
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Novel Enhancer Binding Site Found In Bacteria And Eukaryota But Not In Archea.
To Be Published
5UYV
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BU of 5uyv by Molmil
YfeA ancillary sites that do not co-load with site 2
分子名称: Periplasmic chelated iron-binding protein YfeA, ZINC ION
著者Radka, C.D, DeLucas, L.J, Aller, S.G.
登録日2017-02-24
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.691 Å)
主引用文献Crystal structure of Yersinia pestis virulence factor YfeA reveals two polyspecific metal-binding sites.
Acta Crystallogr D Struct Biol, 73, 2017
7QT2
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BU of 7qt2 by Molmil
Antibody FenAb208 - fentanyl complex
分子名称: Antibody heavy chain, Antibody light chain, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
著者Zeelen, J.P, Straaten van, M, Stebbins, C.E.
登録日2022-01-14
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023

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件を2024-09-25に公開中

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