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2JSQ
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Monomeric Human Telomere DNA Tetraplex with 3+1 Strand Fold Topology, Two Edgewise Loops and Double-Chain Reversal Loop, Form 2 15BrG, NMR, 10 Structures
分子名称: HUMAN TELOMERE DNA
著者Kuryavyi, V.V, Phan, A.T, Luu, K.N, Patel, D.J.
登録日2007-07-11
公開日2008-07-15
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure of two intramolecular G-quadruplexes formed by natural human telomere sequences in K+ solution.
Nucleic Acids Res., 35, 2007
7TT8
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BU of 7tt8 by Molmil
Human LRH-1 LBD bound to agonist 6N-10CA and fragment of Tif2 coactivator
分子名称: 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Cato, M.L, Ortlund, E.A.
登録日2022-01-31
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Differential Modulation of Nuclear Receptor LRH-1 through Targeting Buried and Surface Regions of the Binding Pocket.
J.Med.Chem., 65, 2022
7U2L
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BU of 7u2l by Molmil
C5guano-uOR-Gi-scFv16
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Wang, H, Qu, Q, Skiniotis, G, Kobilka, B.
登録日2022-02-24
公開日2022-05-04
最終更新日2023-02-08
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
7BQK
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BU of 7bqk by Molmil
The structure of PdxI in complex with its substrate analogue
分子名称: 1,2-ETHANEDIOL, 3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one, GLYCEROL, ...
著者Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
登録日2020-03-24
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献An enzymatic Alder-ene reaction.
Nature, 586, 2020
6D86
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Structure of the Bovine p85a BH domain
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, SULFATE ION
著者Moore, S.A, Marshall, J.D, Anderson, D.H.
登録日2018-04-25
公開日2018-05-23
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Patient-derived mutations within the N-terminal domains of p85 alpha impact PTEN or Rab5 binding and regulation.
Sci Rep, 8, 2018
5IWF
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BU of 5iwf by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor 2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinamid
分子名称: 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide, Lysine-specific demethylase 5A,Lysine-specific demethylase 5A, MANGANESE (II) ION
著者Horton, J.R, Cheng, X.
登録日2016-03-22
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.289 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
6DQA
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BU of 6dqa by Molmil
Linked KDM5A JMJ Domain Bound to Inhibitor N70 i.e.[2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]
分子名称: 1,2-ETHANEDIOL, 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.888 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
2NO8
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BU of 2no8 by Molmil
NMR Structure analysis of the colicin immuntiy protein IM2
分子名称: Colicin-E2 immunity protein
著者Macdonald, C.J.
登録日2006-10-25
公開日2007-11-06
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structural Models for non Cognate Complexes of the DNase Domain of Colicin E9 and Colicin Immunity Proteins
To be Published
7SNM
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BU of 7snm by Molmil
Lanosterol-bound P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus
分子名称: Cytochrome P450 51, LANOSTEROL, PROTOPORPHYRIN IX CONTAINING FE
著者Lepesheva, G.I, Hargrove, T, Wawrzak, Z.
登録日2021-10-28
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Unravelling the role of transient redox partner complexes in P450 electron transfer mechanics.
Sci Rep, 12, 2022
7T2S
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BU of 7t2s by Molmil
Structure of E. coli upec-117 Cap18 3'-5' exonuclease
分子名称: 3'-5' exonuclease, ACETATE ION
著者Liang, Q, Richey, S.T, Ye, Q, Lau, R.K, Corbett, K.D.
登録日2021-12-06
公開日2022-07-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure and activity of a bacterial defense-associated 3'-5' exonuclease.
Protein Sci., 31, 2022
5IVF
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BU of 5ivf by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N10 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol
分子名称: 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol, Lysine-specific demethylase 5A, MANGANESE (II) ION
著者Horton, J.R, Cheng, X.
登録日2016-03-20
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.683 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
7BQL
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BU of 7bql by Molmil
The crystal structure of PdxI complex with the Alder-ene adduct
分子名称: 3-[(1R,2S,4R,6S)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1H-pyridin-2-one, DI(HYDROXYETHYL)ETHER, Methyltransf_2 domain-containing protein
著者Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
登録日2020-03-24
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.396 Å)
主引用文献An enzymatic Alder-ene reaction.
Nature, 586, 2020
7T4G
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BU of 7t4g by Molmil
The Envelope Glycoprotein SIVmac239.K180S SOSIP trimer in complex with 3 copies of the neutralizing antibody K11
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Berndsen, Z.T, Ward, A.B.
登録日2021-12-09
公開日2022-10-19
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Molecular insights into antibody-mediated protection against the prototypic simian immunodeficiency virus.
Nat Commun, 13, 2022
5J36
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BU of 5j36 by Molmil
Crystal structure of 60-mer BFDV Capsid Protein
分子名称: Beak and feather disease virus capsid protein, PHOSPHATE ION
著者Sarker, S, Raidal, S, Aragao, D, Forwood, J.K.
登録日2016-03-30
公開日2016-05-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural insights into the assembly and regulation of distinct viral capsid complexes.
Nat Commun, 7, 2016
6DID
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BU of 6did by Molmil
HIV Env BG505 SOSIP with polyclonal Fabs from immunized rabbit #3417 post-boost#1
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, Envelope glycoprotein gp160, ...
著者Turner, H.L, Cottrell, C.A, Oyen, D, Wilson, I.A, Ward, A.B.
登録日2018-05-23
公開日2018-09-05
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.71 Å)
主引用文献Electron-Microscopy-Based Epitope Mapping Defines Specificities of Polyclonal Antibodies Elicited during HIV-1 BG505 Envelope Trimer Immunization.
Immunity, 49, 2018
2NBI
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BU of 2nbi by Molmil
Structure of the PSCD-region of the cell wall protein pleuralin-1
分子名称: HEP200 protein
著者De Sanctis, S, Wenzler, M, Kroeger, N, Malloni, W.M, Sumper, M, Rainer, D, Zadravec, P, Brunner, E, Kremer, W, Kalbitzer, H.R.
登録日2016-02-23
公開日2016-12-21
実験手法SOLUTION NMR
主引用文献PSCD Domains of Pleuralin-1 from the Diatom Cylindrotheca fusiformis: NMR Structures and Interactions with Other Biosilica-Associated Proteins.
Structure, 24, 2016
7TDQ
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BU of 7tdq by Molmil
Crystal structure of KSHV KicGAS/ORF52
分子名称: Tegument protein ORF52
著者Yin, Q, Tian, Y, Bhowmik, D, Zhu, F.
登録日2022-01-02
公開日2022-11-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of higher order oligomerization of KSHV inhibitor of cGAS.
Proc.Natl.Acad.Sci.USA, 119, 2022
5IVV
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BU of 5ivv by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N12 [3-((1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino)isonicotinic acid]
分子名称: 3-[(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 5A, MANGANESE (II) ION
著者Horton, J.R, Cheng, X.
登録日2016-03-21
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IX2
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BU of 5ix2 by Molmil
Crystal structure of mouse Morc3 ATPase-CW cassette in complex with AMPPNP and unmodified H3 peptide
分子名称: MAGNESIUM ION, MORC family CW-type zinc finger protein 3, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Li, S, Du, J, Patel, D.J.
登録日2016-03-23
公開日2016-08-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Mouse MORC3 is a GHKL ATPase that localizes to H3K4me3 marked chromatin
Proc.Natl.Acad.Sci.USA, 113, 2016
7SQW
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BU of 7sqw by Molmil
Structure of the KcsA-W67F mutant with the activation gate in the closed conformation
分子名称: (1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE, Antibody Fragment, KcsA potassium channel, ...
著者Cuello, L.G, Labro, A.J.
登録日2021-11-07
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献The nonconducting W434F mutant adopts upon membrane depolarization an inactivated-like state that differs from wild-type Shaker-IR potassium channels.
Sci Adv, 8, 2022
6DQC
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BU of 6dqc by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N50 i.e. 2-(4-((2-(dimethylamino)ethyl)(ethyl)carbamoyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl)isonicotinic acid
分子名称: 2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献To be determined
To Be Published
5J76
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BU of 5j76 by Molmil
Structure of Lectin from Colocasia esculenta(L.) Schott
分子名称: 12kD storage protein, GLYCEROL
著者Vajravijayan, S, Pletnev, S, Nandhagopal, N, Gunasekaran, K.
登録日2016-04-06
公開日2016-06-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis of beta-prism lectin from Colocasia esculenta (L.) S chott.
Int.J.Biol.Macromol., 91, 2016
6DEK
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BU of 6dek by Molmil
Crystal structure of Candida albicans acetohydroxyacid synthase catalytic subunit
分子名称: Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Garcia, M.D, Guddat, L.W.
登録日2018-05-12
公開日2018-09-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.971 Å)
主引用文献Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DER
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BU of 6der by Molmil
Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide metosulam
分子名称: (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, ...
著者Garcia, M.D, Guddat, L.W.
登録日2018-05-12
公開日2018-09-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.126 Å)
主引用文献Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7BIR
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BU of 7bir by Molmil
Inhibitor of MDM2-p53 Interaction
分子名称: 1-[[(1~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Williams, P.A.
登録日2021-01-13
公開日2021-04-07
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021

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件を2024-10-02に公開中

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