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4R9S
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Mycobacterium tuberculosis InhA bound to NITD-916
分子名称: 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1H)-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Noble, C.G.
登録日2014-09-07
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Direct inhibitors of InhA are active against Mycobacterium tuberculosis
Sci Transl Med, 7, 2015
4R9R
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BU of 4r9r by Molmil
Mycobacterium tuberculosis InhA bound to NITD-564
分子名称: 6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1H)-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Noble, C.G.
登録日2014-09-07
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Direct inhibitors of InhA are active against Mycobacterium tuberculosis
Sci Transl Med, 7, 2015
5ZV3
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BU of 5zv3 by Molmil
Crystal structure of human anti-tau antibody CBTAU-28.1 in complex with its tau peptide
分子名称: Heavy chain of antibody CBTAU28.1, Light chain (kappa) of antibody CBTAU28.1, Peptide from Microtubule-associated protein tau
著者Zhang, H, Wilson, I.A.
登録日2018-05-09
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
2M6X
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BU of 2m6x by Molmil
Structure of the p7 channel of Hepatitis C virus, genotype 5a
分子名称: p7
著者OuYang, B, Chou, J.J.
登録日2013-04-12
公開日2013-06-12
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Unusual architecture of the p7 channel from hepatitis C virus
Nature, 498, 2013
4XKG
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BU of 4xkg by Molmil
Crystal structure of hemagglutinin from Taiwan (2013) H6N1 influenza virus in complex with 6'-SLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
著者Tzarum, N, Zhu, X, Wilson, I.A.
登録日2015-01-11
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure and Receptor Binding of the Hemagglutinin from a Human H6N1 Influenza Virus.
Cell Host Microbe, 17, 2015
4XQO
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BU of 4xqo by Molmil
Crystal structure of hemagglutinin from Jiangxi-Donghu (2013) H10N8 influenza virus in complex with 6'-SLN
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, Hemagglutinin HA1 chain, ...
著者Tzarum, N, Zhang, H, Zhu, X, Wilson, I.A.
登録日2015-01-19
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A Human-Infecting H10N8 Influenza Virus Retains a Strong Preference for Avian-type Receptors.
Cell Host Microbe, 17, 2015
4XQ5
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BU of 4xq5 by Molmil
Human-infecting H10N8 influenza virus retains strong preference for avian-type receptors
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, Hemagglutinin HA1 chain, ...
著者Tzarum, N, Zhang, H, Zhu, X, Wilson, I.A.
登録日2015-01-19
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.592 Å)
主引用文献A Human-Infecting H10N8 Influenza Virus Retains a Strong Preference for Avian-type Receptors.
Cell Host Microbe, 17, 2015
4XKD
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BU of 4xkd by Molmil
Crystal structure of hemagglutinin from Taiwan (2013) H6N1 influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
著者Tzarum, N, Zhu, X, Wilson, I.A.
登録日2015-01-11
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.482 Å)
主引用文献Structure and Receptor Binding of the Hemagglutinin from a Human H6N1 Influenza Virus.
Cell Host Microbe, 17, 2015
4XKF
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BU of 4xkf by Molmil
Crystal structure of hemagglutinin from Taiwan (2013) H6N1 influenza virus in complex with LSTa
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
著者Tzarum, N, Zhu, X, Wilson, I.A.
登録日2015-01-11
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.446 Å)
主引用文献Structure and Receptor Binding of the Hemagglutinin from a Human H6N1 Influenza Virus.
Cell Host Microbe, 17, 2015
4XKE
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BU of 4xke by Molmil
Crystal structure of hemagglutinin from Taiwan (2013) H6N1 influenza virus in complex with 3'-SLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
著者Tzarum, N, Zhu, X, Wilson, I.A.
登録日2015-01-11
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.356 Å)
主引用文献Structure and Receptor Binding of the Hemagglutinin from a Human H6N1 Influenza Virus.
Cell Host Microbe, 17, 2015
4XQU
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BU of 4xqu by Molmil
Crystal structure of hemagglutinin from Jiangxi-Donghu (2013) H10N8 influenza virus in complex with 3'-SLN
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, Hemagglutinin HA1, ...
著者Tzarum, N, Zhang, H, Zhu, X, Wilson, I.A.
登録日2015-01-20
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献A Human-Infecting H10N8 Influenza Virus Retains a Strong Preference for Avian-type Receptors.
Cell Host Microbe, 17, 2015
2MY9
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BU of 2my9 by Molmil
Solution structure of N-terminal domain of human TIG3
分子名称: Retinoic acid receptor responder protein 3
著者Wei, H, Wang, L, Xia, B.
登録日2015-01-21
公開日2015-04-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural and functional characterization of tumor suppressors TIG3 and H-REV107.
Febs Lett., 589, 2015
3KME
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BU of 3kme by Molmil
Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor
分子名称: (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
著者Orth, P.
登録日2009-11-10
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
5T4I
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BU of 5t4i by Molmil
A Novel domain in human EXOG converts apoptotic endonuclease to DNA-repair enzyme
分子名称: DNA (5'-D(*GP*CP*AP*CP*GP*TP*CP*AP*G)-3'), DNA (5'-D(P*CP*TP*GP*AP*CP*GP*TP*GP*C)-3'), MANGANESE (II) ION, ...
著者Szymanski, M.R, Yin, W.Y.
登録日2016-08-29
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.389 Å)
主引用文献A domain in human EXOG converts apoptotic endonuclease to DNA-repair exonuclease.
Nat Commun, 8, 2017
5T5C
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BU of 5t5c by Molmil
A Novel domain in human EXOG converts apoptotic endonuclease to DNA-repair enzyme
分子名称: DNA (5'-D(P*CP*TP*GP*AP*CP*GP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*CP*GP*TP*CP*AP*G)-3'), MAGNESIUM ION, ...
著者Szymanski, M.R, Yin, W.Y.
登録日2016-08-30
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献A domain in human EXOG converts apoptotic endonuclease to DNA-repair exonuclease.
Nat Commun, 8, 2017
5T40
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A Novel domain in human EXOG converts apoptotic endonuclease to DNA-repair enzyme
分子名称: MAGNESIUM ION, Nuclease EXOG, mitochondrial, ...
著者Szymanski, M.R, Yin, W.Y.
登録日2016-08-27
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献A domain in human EXOG converts apoptotic endonuclease to DNA-repair exonuclease.
Nat Commun, 8, 2017
5TEG
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BU of 5teg by Molmil
Crystal structure of hSETD8 in complex with histone H4K20 norleucine mutant peptide and S-Adenosylmethionine
分子名称: Histone H4 mutant peptide with H4K20norleucine, N-lysine methyltransferase KMT5A, S-ADENOSYLMETHIONINE
著者Judge, R.A, Petros, A.M.
登録日2016-09-21
公開日2016-12-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Turning a Substrate Peptide into a Potent Inhibitor for the Histone Methyltransferase SETD8.
ACS Med Chem Lett, 7, 2016
5T3V
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BU of 5t3v by Molmil
A Novel domain in human EXOG converts apoptotic endonuclease to DNA-repair enzyme
分子名称: MANGANESE (II) ION, Nuclease EXOG, mitochondrial, ...
著者Szymanski, M.R, Yin, W.Y.
登録日2016-08-26
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A domain in human EXOG converts apoptotic endonuclease to DNA-repair exonuclease.
Nat Commun, 8, 2017
3LGP
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BU of 3lgp by Molmil
Crystal structure of catalytic domain of tace with benzimidazolyl-thienyl-tartrate based inhibitor
分子名称: (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide, Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION
著者Orth, P.
登録日2010-01-21
公開日2010-07-28
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and activity relationships of tartrate-based TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KMC
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BU of 3kmc by Molmil
Crystal structure of catalytic domain of TACE with tartrate-based inhibitor
分子名称: (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, TNF-alpha-converting enzyme, ...
著者Orth, P.
登録日2009-11-10
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
4ZCJ
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BU of 4zcj by Molmil
Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin HA1 Cys30, HA2 Cys47 mutant
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, Hemagglutinin, ...
著者Lee, P.S, Wilson, I.A.
登録日2015-04-16
公開日2015-05-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Design and Structure of an Engineered Disulfide-Stabilized Influenza Virus Hemagglutinin Trimer.
J.Virol., 89, 2015
5ER4
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BU of 5er4 by Molmil
Crystal Structure of Calcium-loaded S100B bound to SC0025
分子名称: 6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol, CALCIUM ION, Protein S100-B
著者Cavalier, M.C, Melville, Z.E, Aligholizadeh, E, Fang, L, Alasady, M.J, Pierce, A.D, Wilder, P.T, MacKerell Jr, A.D, Weber, D.J.
登録日2015-11-13
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.813 Å)
主引用文献Novel protein-inhibitor interactions in site 3 of Ca(2+)-bound S100B as discovered by X-ray crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
6BJ3
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BU of 6bj3 by Molmil
TCR55 in complex with HIV(Pol448-456)/HLA-B35
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, HIV Pol B35 peptide, ...
著者Jude, K.M, Sibener, L.V, Garcia, K.C.
登録日2017-11-03
公開日2018-07-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Isolation of a Structural Mechanism for Uncoupling T Cell Receptor Signaling from Peptide-MHC Binding.
Cell, 174, 2018
6BJ2
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BU of 6bj2 by Molmil
TCR589 in complex with HIV(Pol448-456)/HLA-B35
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, Beta-2-microglobulin, ...
著者Jude, K.M, Sibener, L.V, Garcia, K.C.
登録日2017-11-03
公開日2018-07-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Isolation of a Structural Mechanism for Uncoupling T Cell Receptor Signaling from Peptide-MHC Binding.
Cell, 174, 2018
7XOZ
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BU of 7xoz by Molmil
Crystal structure of RPPT-TIR
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase
著者Song, W, Jia, A, Huang, S, Chai, J.
登録日2022-05-02
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献TIR-catalyzed ADP-ribosylation reactions produce signaling molecules for plant immunity.
Science, 377, 2022

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