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PDB: 2408 件

3ZSQ
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Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design
分子名称: 5-[[[2-[[(1S)-1-(4-METHOXYPHENYL)BUTYL]CARBAMOYL]PHENYL]METHYL-PROP-2-ENYL-AMINO]METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, ACETIC ACID, GLYCEROL, ...
著者Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J.
登録日2011-06-30
公開日2012-07-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
3ZT3
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Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design
分子名称: 1,2-ETHANEDIOL, 5-{(E)-[(2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLIDENE]METHYL}-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, ACETIC ACID, ...
著者Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J.
登録日2011-07-01
公開日2012-07-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
5G0I
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Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker cleaved) in complex with Nexturastat A
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, HDAC6, ...
著者Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P.
登録日2016-03-18
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
3ZSZ
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Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design
分子名称: (R)-[2-[[(2S)-BUTAN-2-YL]CARBAMOYL]PHENYL]METHYL-[(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL]-METHYL-AZANIUM, ACETATE ION, CHLORIDE ION, ...
著者Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J.
登録日2011-07-01
公開日2012-07-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
1TJ1
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BU of 1tj1 by Molmil
Crystal structure of E. coli PutA proline dehydrogenase domain (residues 86-669) complexed with L-lactate
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, Bifunctional putA protein, FLAVIN-ADENINE DINUCLEOTIDE
著者Tanner, J.J, Zhang, M, White, T.A, Schuermann, J.P, Baban, B.A, Becker, D.F.
登録日2004-06-03
公開日2004-10-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of the Escherichia coli PutA proline dehydrogenase domain in complex with competitive inhibitors
Biochemistry, 43, 2004
3ZT1
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Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design
分子名称: (4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-[(4-METHOXYPHENYL)METHYLCARBAMOYL]PHENYL]METHYL]AZANIUM, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J.
登録日2011-07-01
公開日2012-07-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
3ZSV
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Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design
分子名称: (R)-[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium, 1,2-ETHANEDIOL, ACETIC ACID, ...
著者Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J.
登録日2011-07-01
公開日2012-07-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
7EMN
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BU of 7emn by Molmil
The atomic structure of SHP2 E76A mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Luo, F, Xie, J.J, Zhu, J.D, Liu, C.
登録日2021-04-14
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A novel partially open state of SHP2 points to a "multiple gear" regulation mechanism.
J.Biol.Chem., 296, 2021
4AIY
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BU of 4aiy by Molmil
R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 'GREEN' SUBSTATE, AVERAGE STRUCTURE
分子名称: PHENOL, PROTEIN (INSULIN)
著者O'Donoghue, S.I, Chang, X, Abseher, R, Nilges, M, Led, J.J.
登録日1998-12-29
公開日2000-02-28
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Unraveling the symmetry ambiguity in a hexamer: calculation of the R6 human insulin structure.
J.Biomol.NMR, 16, 2000
5FWH
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N-terminal FHA domain from EssC a component of the bacterial Type VII secretion apparatus
分子名称: ESSC
著者Zoltner, M, Ng, W.M.A.V, Money, J.J, Fyfe, P.K, Kneuper, H, Palmer, T, Hunter, W.N.
登録日2016-02-17
公開日2016-04-06
最終更新日2016-10-12
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Essc: Domain Structures Inform on the Elusive Translocation Channel in the Type Vii Secretion System.
Biochem.J., 473, 2016
5G0F
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BU of 5g0f by Molmil
Crystal structure of Danio rerio HDAC6 ZnF-UBP domain
分子名称: GLYCINE, HDAC6, NICKEL (II) ION, ...
著者Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P.
登録日2016-03-18
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
5G0H
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BU of 5g0h by Molmil
Crystal structure of Danio rerio HDAC6 CD2 in complex with (S)- trichostatin A
分子名称: 1,2-ETHANEDIOL, HDAC6, POTASSIUM ION, ...
著者Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P.
登録日2016-03-18
公開日2016-07-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
5G0J
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BU of 5g0j by Molmil
Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker intact) in complex with Nexturastat A
分子名称: CHLORIDE ION, HDAC6, NEXTURASTAT A, ...
著者Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P.
登録日2016-03-18
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
3ZSY
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BU of 3zsy by Molmil
Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design
分子名称: (R)-(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-(CYCLOHEXYLMETHYLCARBAMOYL)PHENYL]METHYL]-METHYL-AZANIUM, ACETATE ION, INTEGRASE, ...
著者Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J.
登録日2011-07-01
公開日2012-07-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
5EK5
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BU of 5ek5 by Molmil
STRUCTURAL CHARACTERIZATION OF IRMA FROM ESCHERICHIA COLI
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ...
著者Heras, B, Moriel, D.G, Paxman, J.J, Schembri, M.A.
登録日2015-11-03
公開日2016-03-09
最終更新日2016-07-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Molecular and Structural Characterization of a Novel Escherichia coli Interleukin Receptor Mimic Protein.
Mbio, 7, 2016
5G0G
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BU of 5g0g by Molmil
Crystal structure of Danio rerio HDAC6 CD1 in complex with trichostatin A
分子名称: CHLORIDE ION, HDAC6, SODIUM ION, ...
著者Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P.
登録日2016-03-18
公開日2016-07-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
5EPP
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BU of 5epp by Molmil
Structural Insights into the Interaction of p97 N-terminus Domain and VBM Motif in Rhomboid Protease, RHBDL4
分子名称: Rhomboid-related protein 4, Transitional endoplasmic reticulum ATPase
著者Lim, J.J, Lee, Y, Ly, T.T, Kang, J.Y, Lee, J.-G, An, J.Y, Youn, H.-S, Park, K.R, Kim, T.G, Yang, J.K, Jun, Y, Eom, S.H.
登録日2015-11-12
公開日2016-09-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural insights into the interaction of p97 N-terminus domain and VBM in rhomboid protease, RHBDL4.
Biochem.J., 473, 2016
5EKB
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R2-like ligand-binding oxidase with aerobically reconstituted Mn/Fe cofactor (reconstituted in solution)
分子名称: FE (III) ION, MANGANESE (III) ION, PALMITIC ACID, ...
著者Griese, J.J, Hogbom, M.
登録日2015-11-03
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.074 Å)
主引用文献Divergent assembly mechanisms of the manganese/iron cofactors in R2lox and R2c proteins.
J.Inorg.Biochem., 162, 2016
5EOS
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Crystallizing Strained DNA: Self-Assembly of 3D Crystals Containing a Torsionally-Stressed Component
分子名称: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*TP*GP*CP*TP*GP*C)-3'), DNA (5'-D(P*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*AP*CP*AP*CP*CP*GP*T)-3'), ...
著者Hernandez, C, Birktoft, J.J, Seeman, N.C.
登録日2015-11-10
公開日2017-08-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (4.7 Å)
主引用文献Self-Assembly of 3D DNA Crystals Containing a Torsionally Stressed Component.
Cell Chem Biol, 2017
7DRB
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BU of 7drb by Molmil
Crystal structure of plant receptor like protein RXEG1 with xyloglucanase XEG1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell 12A endoglucanase, ...
著者Sun, Y, Wang, Y, Zhang, X.X, Chen, Z.D, Xia, Y.Q, Sun, Y.J, Zhang, M.M, Xiao, Y, Han, Z.F, Wang, Y.C, Chai, J.J.
登録日2020-12-27
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Plant receptor-like protein activation by a microbial glycoside hydrolase.
Nature, 610, 2022
7DRC
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BU of 7drc by Molmil
Cryo-EM structure of plant receptor like protein RXEG1 in complex with xyloglucanase XEG1 and BAK1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Brassinosteroid insensitive 1-associated receptor kinase 1, ...
著者Sun, Y, Wang, Y, Zhang, X.X, Chen, Z.D, Xia, Y.Q, Sun, Y.J, Zhang, M.M, Xiao, Y, Han, Z.F, Wang, Y.C, Chai, J.J.
登録日2020-12-27
公開日2022-06-22
最終更新日2022-10-26
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Plant receptor-like protein activation by a microbial glycoside hydrolase.
Nature, 610, 2022
7DTK
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BU of 7dtk by Molmil
Crystal structure of the RecA1 domain of RNA helicase CGH-1 in C. elegans
分子名称: ATP-dependent RNA helicase cgh-1, GLYCEROL
著者Hong, J.J, Lv, M.Q, Zhang, Y.
登録日2021-01-05
公開日2021-03-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Structural and biochemical insights into the recognition of RNA helicase CGH-1 by CAR-1 in C. elegans.
Biochem.Biophys.Res.Commun., 549, 2021
7DTJ
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BU of 7dtj by Molmil
Crystal structure of the RecA2 domain of RNA helicase CGH-1 in C. elegans
分子名称: ATP-dependent RNA helicase cgh-1
著者Zhang, Y, Lv, M.Q, Hong, J.J.
登録日2021-01-05
公開日2021-03-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Structural and biochemical insights into the recognition of RNA helicase CGH-1 by CAR-1 in C. elegans.
Biochem.Biophys.Res.Commun., 549, 2021
5H3C
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Crystal structure of Arabidopsis SNC1 TIR domain
分子名称: Protein SUPPRESSOR OF npr1-1, CONSTITUTIVE 1
著者Hyun, K.G, Yoon, J.M, Song, J.J.
登録日2016-10-22
公開日2016-12-07
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Crystal structure of Arabidopsis thaliana SNC1 TIR domain
Biochem.Biophys.Res.Commun., 481, 2016
7DFV
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Cryo-EM structure of plant NLR RPP1 tetramer core part
分子名称: NAD+ hydrolase (NADase)
著者Ma, S.C, Lapin, D, Liu, L, Sun, Y, Song, W, Zhang, X.X, Logemann, E, Yu, D.L, Wang, J, Jirschitzka, J, Han, Z.F, SchulzeLefert, P, Parker, J.E, Chai, J.J.
登録日2020-11-10
公開日2020-12-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme.
Science, 370, 2020

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