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1S6P
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CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R100943
分子名称: 1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)-1-IMINO-ETHYL]-THIOUREA, MAGNESIUM ION, POL polyprotein [Contains: Reverse transcriptase]
著者Das, K, Arnold, E.
登録日2004-01-26
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants
J.Med.Chem., 47, 2004
1S9E
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R129385
分子名称: 4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE, POL polyprotein [Contains: Reverse transcriptase], POL polyprotein [Contains:Reverse transcriptase]
著者Das, K, Clark Jr, A.D, Ludovici, D.W, Kukla, M.J, Decorte, B, Lewi, P.J, Hughes, S.H, Janssen, P.A, Arnold, E.
登録日2004-02-04
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants.
J.Med.Chem., 47, 2004
1S9G
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R120394.
分子名称: 4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE, POL polyprotein [Contains: Reverse transcriptase]
著者Das, K, Clark Jr, A.D, Ludovici, D.W, Kukla, M.J, Decorte, B, Lewi, P.J, Hughes, S.H, Janssen, P.A, Arnold, E.
登録日2004-02-04
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants.
J.Med.Chem., 47, 2004
1JTL
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The crystal structure of d(GGCCAATTGG) Complexed with Distamycin
分子名称: 5'-D(*GP*GP*CP*CP*AP*AP*TP*TP*GP*G)-3', DISTAMYCIN A
著者Uytterhoeven, K, Van Meervelt, L.
登録日2001-08-21
公開日2002-08-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Two 1 : 1 binding modes for distamycin in the minor groove of d(GGCCAATTGG).
Eur.J.Biochem., 269, 2002
1K2Z
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The Crystal Structure of d(GGCCAATTGG) Complexed with Distamycin.
分子名称: 5'-D(*GP*GP*CP*CP*AP*AP*TP*TP*GP*G)-3', DISTAMYCIN A
著者Uytterhoeven, K, Van Meervelt, L.
登録日2001-10-01
公開日2002-08-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Two 1 : 1 binding modes for distamycin in the minor groove of d(GGCCAATTGG).
Eur.J.Biochem., 269, 2002
3GJH
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Crystal structure of a DNA duplex containing 7,8-dihydropyridol[2,3-d]pyrimidin-2-one
分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(B7C)P*GP*CP*G)-3', 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE
著者Takenaka, A, Juan, E.C.M, Shimizu, S, Haraguchi, T, Xiao, M, Kurose, T.
登録日2009-03-09
公開日2010-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Insights into the stabilizing contributions of bicyclic cytosine analogues: crystal structures of DNA duplexes containing 7,8-dihydropyridol[2,3-d]pyrimidin-2-one
To be Published
3AJK
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Crystal structure of d(CGCGGATf5UCGCG): 5-Formyluridine:Guanosine Base-pair in B-DNA with Hoechst33258
分子名称: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, 5'-D(*CP*GP*CP*GP*GP*AP*TP*(UFR)P*CP*GP*CP*G*)-3', MAGNESIUM ION
著者Tsunoda, M, Sakaue, T, Ueno, Y, Matsuda, A, Takenaka, A.
登録日2010-06-07
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Insights into the structures of DNA damaged by hydroxyl radical: crystal structures of DNA duplexes containing 5-formyluracil
J Nucleic Acids, 2010, 2010
3AJJ
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Crystal Structure of d(CGCGGATf5UCGCG): 5-Formyluridine/Guanosine Base-pair in B-DNA
分子名称: 5'-D(*CP*GP*CP*GP*GP*AP*TP*(UFR)P*CP*GP*CP*G)-3'
著者Tsunoda, M, Sakaue, T, Ueno, Y, Matsuda, A, Takenaka, A.
登録日2010-06-07
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Insights into the structures of DNA damaged by hydroxyl radical: crystal structures of DNA duplexes containing 5-formyluracil
J Nucleic Acids, 2010, 2010
8GU7
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Selective targeting of the Beclin 2-Atg14L coiled coil complex by stapled peptides promotes autophagy and endolysosomal trafficking of GPCRs
分子名称: Beclin 1-associated autophagy-related key regulator, Beclin-2
著者Qiu, X, Zhao, Y.
登録日2022-09-11
公開日2023-07-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The potent BECN2-ATG14 coiled-coil interaction is selectively critical for endolysosomal degradation of GPRASP1/GASP1-associated GPCRs.
Autophagy, 19, 2023
8GT9
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Selective targeting of the Beclin 2-Atg14L coiled coil complex by stapled peptides promotes autophagy and endolysosomal trafficking of GPCRs
分子名称: Beclin-2
著者Qiu, X, Zhao, Y.
登録日2022-09-07
公開日2023-07-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The potent BECN2-ATG14 coiled-coil interaction is selectively critical for endolysosomal degradation of GPRASP1/GASP1-associated GPCRs.
Autophagy, 19, 2023
4G1Q
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BU of 4g1q by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with Rilpivirine (TMC278, Edurant), a non-nucleoside rt-inhibiting drug
分子名称: 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, MAGNESIUM ION, ...
著者Bauman, J.D, Patel, D, Das, K, Arnold, E.
登録日2012-07-11
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Snapshot of the equilibrium dynamics of a drug bound to HIV-1 reverse transcriptase.
Nat Chem, 5, 2013
6ELI
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Structure of HIV-1 reverse transcriptase (RT) in complex with rilpivirine and an RNase H inhibitor XZ462
分子名称: 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Gag-Pol polyprotein, ...
著者Das, K, Arnold, E.
登録日2017-09-29
公開日2018-04-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Developing and Evaluating Inhibitors against the RNase H Active Site of HIV-1 Reverse Transcriptase.
J. Virol., 92, 2018
8P2D
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BU of 8p2d by Molmil
Cryo-EM structure of the dimeric form of the anaerobic ribonucleotide reductase from Prevotella copri produced in the presence of dATP and CTP
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Anaerobic ribonucleoside-triphosphate reductase, MAGNESIUM ION
著者Banerjee, I, Bimai, O, Sjoberg, B.M, Logan, D.T.
登録日2023-05-15
公開日2023-09-13
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (2.59 Å)
主引用文献Nucleotide binding to the ATP-cone in anaerobic ribonucleotide reductases allosterically regulates activity by modulating substrate binding.
Elife, 12, 2024
8HWQ
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Cryo-EM structure of human pannexin 3 with C-terminal truncated
分子名称: Pannexin-3
著者Zhang, H, Zhang, H, Wang, D.
登録日2023-01-02
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Cryo-EM structure of human pannexin 3 with C-terminal truncated
To Be Published
5IBQ
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BU of 5ibq by Molmil
Crystal structure of an ABC solute binding protein from Rhizobium etli CFN 42 (RHE_PF00037,TARGET EFI-511357) in complex with alpha-D-apiose
分子名称: 3-C-(hydroxylmethyl)-alpha-D-erythrofuranose, CALCIUM ION, Probable ribose ABC transporter, ...
著者Vetting, M.W, Carter, M.S, Al Obaidi, N.F, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2016-02-22
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structure of an ABC solute binding protein from Rhizobium etli CFN 42 (RHE_PF00037,TARGET EFI-511357) in complex with alpha-D-apiose
To be published
3QF2
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Crystal structure of NALP3 PYD
分子名称: NACHT, LRR and PYD domains-containing protein 3
著者Park, H.H, Bae, J.Y.
登録日2011-01-21
公開日2011-08-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of NALP3 Protein Pyrin Domain (PYD) and Its Implications in Inflammasome Assembly
J.Biol.Chem., 286, 2011
3MKN
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BU of 3mkn by Molmil
Crystal structure of the E. coli pyrimidine nucleosidase YeiK bound to a competitive inhibitor
分子名称: (2S,3S,4R,5R)-2-(3,4-diaminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol, CALCIUM ION, Putative uncharacterized protein YeiK
著者Garau, G, Fornili, A, Giabbai, B, Degano, M.
登録日2010-04-15
公開日2010-12-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Energy Landscapes Associated with Macromolecular Conformational Changes from Endpoint Structures
J.Am.Chem.Soc., 132, 2010
8K53
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Structure of the Dimeric Human CNTN2 Ig 1-6-FNIII 1-2 Domain in an Asymmetric State
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, Contactin-2, ...
著者Zhang, Z.Z.
登録日2023-07-21
公開日2023-12-06
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of human CNTN2 immunoglobulin domains 1-6 homo-dimer
To Be Published
2MPC
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Solution structure of the pyrin domain of human Pyrin
分子名称: Pyrin
著者Soh, S.L, Smith, S.J, Hill, J.M.
登録日2014-05-15
公開日2014-07-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Identification of multifaceted binding modes for pyrin and ASC pyrin domains gives insights into pyrin inflammasome assembly.
J.Biol.Chem., 289, 2014
8K3J
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Structure of human CNTN2 immunoglobulin domains 1-6 homo-dimer
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, Contactin-2, ...
著者Zhang, Z.Z.
登録日2023-07-16
公開日2024-07-17
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of human CNTN2 immunoglobulin domains 1-6 homo-dimer
To Be Published
2NN6
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Structure of the human RNA exosome composed of Rrp41, Rrp45, Rrp46, Rrp43, Mtr3, Rrp42, Csl4, Rrp4, and Rrp40
分子名称: 3'-5' exoribonuclease CSL4 homolog, Exosome complex exonuclease RRP4, Exosome complex exonuclease RRP40, ...
著者Lima, C.D.
登録日2006-10-23
公開日2006-12-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Reconstitution, activities, and structure of the eukaryotic RNA exosome.
Cell(Cambridge,Mass.), 127, 2006
7WIY
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Cryo-EM structure of human TPH2 tetramer
分子名称: FE (III) ION, IMIDAZOLE, Tryptophan 5-hydroxylase 2
著者Zhu, K.F, Liu, C, Zhang, H.W, Wang, D.P.
登録日2022-01-05
公開日2022-10-05
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Cryo-EM Structure and Activator Screening of Human Tryptophan Hydroxylase 2.
Front Pharmacol, 13, 2022
4KS7
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PAK6 kinase domain in complex with PF-3758309
分子名称: ISOPROPYL ALCOHOL, PF-3758309, Serine/threonine-protein kinase PAK 6
著者Gao, J, Boggon, T.J.
登録日2013-05-17
公開日2013-09-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Substrate and Inhibitor Specificity of the Type II p21-Activated Kinase, PAK6.
Plos One, 8, 2013
4KS8
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PAK6 kinase domain in complex with sunitinib
分子名称: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, Serine/threonine-protein kinase PAK 6
著者Gao, J, Boggon, T.J.
登録日2013-05-17
公開日2013-09-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Substrate and Inhibitor Specificity of the Type II p21-Activated Kinase, PAK6.
Plos One, 8, 2013
8GN8
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structure of human connexin 40.1 pentameric hemichannel by cryoEM
分子名称: Gap junction delta-4 protein
著者Zhang, H, Wang, D.P.
登録日2022-08-23
公開日2023-08-30
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献structure of human connexin 40.1 intercellular gap junction channel by cryoEM
To Be Published

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件を2025-08-20に公開中

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