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PDB: 3016 件

5UOQ
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CRYSTAL STRUCTURE OF THE PROTOTYPE FOAMY VIRUS INTASOME WITH A 2- PYRIDINONE AMINAL INHIBITOR (COMPOUND 31)
分子名称: (3R)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxo-1,2',3',5,7,8,9,10-octahydro-2H-spiro[imidazo[5,1-a][2,6]naphthyridine-3,1'-indene]-7'-carbonitrile, GLYCEROL, INTEGRASE, ...
著者Klein, D.J.
登録日2017-02-01
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery and optimization of 2-pyridinone aminal integrase strand transfer inhibitors for the treatment of HIV.
Bioorg. Med. Chem. Lett., 27, 2017
1W9V
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Specificity and affinity of natural product cyclopentapeptide argifin against Aspergillus fumigatus
分子名称: ARGIFIN, CHITINASE, SULFATE ION
著者Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, van Aalten, D.M.F.
登録日2004-10-19
公開日2005-01-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
1WB0
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specificity and affinity of natural product cyclopentapeptide inhibitor Argifin against human chitinase
分子名称: ARGIFIN, CHITOTRIOSIDASE 1, GLYCEROL, ...
著者Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, Van Aalten, D.M.F.
登録日2004-10-29
公開日2005-01-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
2WP1
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Structure of Brdt bromodomain 2 bound to an acetylated histone H3 peptide
分子名称: BROMODOMAIN TESTIS-SPECIFIC PROTEIN, HISTONE H3
著者Moriniere, J, Rousseaux, S, Steuerwald, U, Soler-Lopez, M, Curtet, S, Vitte, A.-L, Govin, J, Gaucher, J, Sadoul, K, Hart, D.J, Krijgsveld, J, Khochbin, S, Mueller, C.W, Petosa, C.
登録日2009-08-02
公開日2009-09-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Cooperative Binding of Two Acetylation Marks on a Histone Tail by a Single Bromodomain.
Nature, 461, 2009
1W9P
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Specificity and affinity of natural product cyclopentapeptide inhibitors against Aspergillus fumigatus, human and bacterial chitinaseFra
分子名称: CHITINASE, SULFATE ION
著者Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, Van Aalten, D.M.F.
登録日2004-10-15
公開日2004-10-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
5DKQ
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Crystal Structure of Calcium-loaded S100B bound to SBi4214
分子名称: 2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine, CALCIUM ION, Protein S100-B
著者Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J.
登録日2015-09-03
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.591 Å)
主引用文献Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
J.Med.Chem., 59, 2016
7UO0
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E.coli RNaseP Holoenzyme with Mg2+
分子名称: CALCIUM ION, Precursor tRNA substrate G(-1) G(-2), RNase P RNA, ...
著者Huang, W, Taylor, D.J.
登録日2022-04-12
公開日2022-09-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural and mechanistic basis for recognition of alternative tRNA precursor substrates by bacterial ribonuclease P.
Nat Commun, 13, 2022
5DAH
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Crystal structure of PZP domain of human AF10 protein fused with Histone H3 peptide
分子名称: Histone H3 peptide, Protein AF-10, SULFATE ION, ...
著者Chen, S, Patel, D.J.
登録日2015-08-19
公開日2015-10-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.611 Å)
主引用文献The PZP Domain of AF10 Senses Unmodified H3K27 to Regulate DOT1L-Mediated Methylation of H3K79.
Mol.Cell, 60, 2015
7RFA
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NMR Solution structure of linear [T20K]kalataB1
分子名称: Kalata-B4
著者Harvey, P.J, Craik, D.J, Gruber, C.W.
登録日2021-07-14
公開日2021-10-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Importance of the Cyclic Cystine Knot Structural Motif for Immunosuppressive Effects of Cyclotides.
Acs Chem.Biol., 16, 2021
7UO1
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E.coli RNaseP Holoenzyme with Mg2+
分子名称: CALCIUM ION, E.coli RNase P RNA, Precursor tRNA substrate U(-1) and A(-2), ...
著者Huang, W, Taylor, D.J.
登録日2022-04-12
公開日2022-09-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural and mechanistic basis for recognition of alternative tRNA precursor substrates by bacterial ribonuclease P.
Nat Commun, 13, 2022
1VHH
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A POTENTIAL CATALYTIC SITE WITHIN THE AMINO-TERMINAL SIGNALLING DOMAIN OF SONIC HEDGEHOG
分子名称: SONIC HEDGEHOG, SULFATE ION, ZINC ION
著者Hall, T.M.T, Porter, J.A, Beachy, P.A, Leahy, D.J.
登録日1995-10-03
公開日1996-01-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A potential catalytic site revealed by the 1.7-A crystal structure of the amino-terminal signalling domain of Sonic hedgehog.
Nature, 378, 1995
7UO2
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E.coli RNaseP Holoenzyme with Mg2+
分子名称: MAGNESIUM ION, RNase P RNA, Ribonuclease P protein component
著者Huang, W, Taylor, D.J.
登録日2022-04-12
公開日2022-09-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and mechanistic basis for recognition of alternative tRNA precursor substrates by bacterial ribonuclease P.
Nat Commun, 13, 2022
7UO5
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E.coli RNaseP Holoenzyme with Mg2+
分子名称: CALCIUM ION, RNase P RNA, Ribonuclease P protein component
著者Huang, W, Taylor, D.J.
登録日2022-04-12
公開日2022-09-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and mechanistic basis for recognition of alternative tRNA precursor substrates by bacterial ribonuclease P.
Nat Commun, 13, 2022
8BMQ
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BU of 8bmq by Molmil
Cryo-EM structure of the folate-specific ECF transporter complex in MSP2N2 lipid nanodiscs bound to AMP-PNP
分子名称: Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT, ...
著者Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J.
登録日2022-11-10
公開日2023-08-02
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Expulsion mechanism of the substrate-translocating subunit in ECF transporters.
Nat Commun, 14, 2023
8BMS
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Cryo-EM structure of the mutant solitary ECF module 2EQ in MSP2N2 lipid nanodiscs in the ATPase closed and ATP-bound conformation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, ...
著者Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J.
登録日2022-11-10
公開日2023-08-02
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Expulsion mechanism of the substrate-translocating subunit in ECF transporters.
Nat Commun, 14, 2023
8BMR
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Cryo-EM structure of the wild-type solitary ECF module in MSP2N2 lipid nanodiscs in the ATPase open and nucleotide-free conformation
分子名称: Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT
著者Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J.
登録日2022-11-10
公開日2023-08-02
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Expulsion mechanism of the substrate-translocating subunit in ECF transporters.
Nat Commun, 14, 2023
8BMP
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Cryo-EM structure of the folate-specific ECF transporter complex in MSP2N2 lipid nanodiscs bound to ATP and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Energy-coupling factor transporter ATP-binding protein EcfA1, ...
著者Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J.
登録日2022-11-10
公開日2023-08-02
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Expulsion mechanism of the substrate-translocating subunit in ECF transporters.
Nat Commun, 14, 2023
5D3M
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Folate ECF transporter: AMPPNP bound state
分子名称: Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT, ...
著者Guskov, A, Swier, L.J.Y.M, Slotboom, D.J.
登録日2015-08-06
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.303 Å)
主引用文献Structural insight in the toppling mechanism of an energy-coupling factor transporter.
Nat Commun, 7, 2016
1XO2
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Crystal structure of a human cyclin-dependent kinase 6 complex with a flavonol inhibitor, fisetin
分子名称: 3,7,3',4'-TETRAHYDROXYFLAVONE, Cell division protein kinase 6, Cyclin
著者Lu, H.S, Chang, D.J, Baratte, B, Meijer, L, Schulze-Gahmen, U.
登録日2004-10-05
公開日2005-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of a Human Cyclin-Dependent Kinase 6 Complex with a Flavonol Inhibitor, Fisetin.
J.Med.Chem., 48, 2005
1XU7
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Crystal Structure of the Interface Open Conformation of Tetrameric 11b-HSD1
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Corticosteroid 11-beta-dehydrogenase, isozyme 1, ...
著者Hosfield, D.J, Wu, Y, Skene, R.J, Hilger, M, Jennings, A, Snell, G.P, Aertgeerts, K.
登録日2004-10-25
公開日2004-11-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Conformational Flexibility in Crystal Structures of Human 11beta-hydroxysteroid dehydrogenase type I provide insights into glucocorticoid interconversion and enzyme regulation.
J.Biol.Chem., 280, 2005
6RH6
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Solution structure and 1H, 13C and 15N chemical shift assignments for the complex of NECAP1 PHear domain with phosphorylated AP2 mu2 148-163
分子名称: AP-2 complex subunit mu, Adaptin ear-binding coat-associated protein 1
著者Owen, D.J, Neuhaus, D, Yang, J.-C, Herrmann, T.
登録日2019-04-18
公開日2019-09-04
実験手法SOLUTION NMR
主引用文献Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation.
Dev.Cell, 50, 2019
5DDP
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L-glutamine riboswitch bound with L-glutamine
分子名称: GLUTAMINE, MAGNESIUM ION, RNA (61-MER), ...
著者Ren, A, Patel, D.J.
登録日2015-08-25
公開日2015-12-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Structural and Dynamic Basis for Low-Affinity, High-Selectivity Binding of L-Glutamine by the Glutamine Riboswitch.
Cell Rep, 13, 2015
7UJC
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Raloxifene in Complex with Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutation
分子名称: Estrogen receptor, RALOXIFENE
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-30
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
7UJ8
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Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-Hydroxytamoxifen
分子名称: 4-HYDROXYTAMOXIFEN, Estrogen receptor
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-30
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.385 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
7UJF
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Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative with Selective Estrogen Receptor Degrader Properties
分子名称: (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-30
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022

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