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4E56
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BU of 4e56 by Molmil
Crystal Structure of spacer 8aa-shortened cephalosporin acylase mutant
分子名称: CALCIUM ION, Cephalosporin acylase
著者Yin, J, Zhang, Z, Wu, G, Huang, X.
登録日2012-03-14
公開日2013-03-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献spacer shortened Cephalosporin acylase
To be Published
3GTL
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BU of 3gtl by Molmil
Backtracked RNA polymerase II complex with 13mer with G<>U mismatch
分子名称: DNA (28-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D.
登録日2009-03-27
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.38 Å)
主引用文献Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
3GTJ
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BU of 3gtj by Molmil
Backtracked RNA polymerase II complex with 13mer RNA
分子名称: DNA (28-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D.
登録日2009-03-27
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.42 Å)
主引用文献Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
3GTK
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BU of 3gtk by Molmil
Backtracked RNA polymerase II complex with 18mer RNA
分子名称: DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D.
登録日2009-03-27
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
3GTP
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BU of 3gtp by Molmil
Backtracked RNA polymerase II complex with 24mer RNA
分子名称: DNA (28-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D.
登録日2009-03-27
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
3GTM
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BU of 3gtm by Molmil
Co-complex of Backtracked RNA polymerase II with TFIIS
分子名称: DNA (28-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D.
登録日2009-03-27
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
5DQC
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BU of 5dqc by Molmil
Co-crystal of BACE1 with compound 0211
分子名称: Beta-secretase 1, N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
著者Ghosh, A.K, Bhavanam, S.R, Yen, T.-C, Cardenas, E.L, Rao, K.V, Downs, D, Huang, X, Tang, J, Mescar, A.D.
登録日2015-09-14
公開日2016-02-17
最終更新日2016-07-13
実験手法X-RAY DIFFRACTION (2.4651 Å)
主引用文献Design of Potent and Highly Selective Inhibitors for Human beta-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes.
Chem Sci, 7, 2016
5J97
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BU of 5j97 by Molmil
Dimerization domain of cytoplasmic activation/proliferation-associated protein-2 (caprin-2)
分子名称: Caprin-2
著者Wu, Y, Zhu, J, Huang, X, Du, Z.
登録日2016-04-08
公開日2017-08-09
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Dimerization domain of cytoplasmic activation/proliferation-associated protein-2 (caprin-2)
To Be Published
8WIK
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BU of 8wik by Molmil
Crystal structure of human FSP1
分子名称: 6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE, Ferroptosis suppressor protein 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Feng, S, Huang, X, Tang, D, Qi, S.
登録日2023-09-24
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of human ferroptosis suppressive protein 1 in complex with flavin adenine dinucleotide and nicotinamide adenine nucleotide.
MedComm (2020), 5, 2024
3SDN
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BU of 3sdn by Molmil
Structure of G65I sperm whale myoglobin mutant
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Myoglobin, ...
著者Lebioda, L, Huang, X.
登録日2011-06-09
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Amphitrite ornata Dehaloperoxidase (DHP): Investigations of Structural Factors That Influence the Mechanism of Halophenol Dehalogenation Using "Peroxidase-like" Myoglobin Mutants and "Myoglobin-like" DHP Mutants.
Biochemistry, 50, 2011
4GID
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BU of 4gid by Molmil
Structure of beta-secretase complexed with inhibitor
分子名称: Beta-secretase 1, L-PROLINAMIDE, N-[(2S)-1-({(2S,3R)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
著者Ghosh, A, Tang, J, Venkateswara, R.K, Yadav, N, Anderson, D, Gavande, N, Huang, X, Terzyan, S.
登録日2012-08-08
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of highly selective beta-secretase inhibitors: synthesis, biological evaluation, and protein-ligand X-ray crystal structure.
J.Med.Chem., 55, 2012
3M4O
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BU of 3m4o by Molmil
RNA polymerase II elongation complex B
分子名称: DNA (28-MER), DNA (5'-D(P*GP*TP*GP*GP*TP*TP*AP*TP*GP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, D, Zhu, G, Huang, X, Lippard, S.J.
登録日2010-03-11
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.57 Å)
主引用文献X-ray structure and mechanism of RNA polymerase II stalled at an antineoplastic monofunctional platinum-DNA adduct.
Proc.Natl.Acad.Sci.USA, 107, 2010
4OUH
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BU of 4ouh by Molmil
Crystal structure of the FP domain of Human PI31 Proteasome Inhibitor
分子名称: Proteasome inhibitor PI31 subunit
著者Shang, J, Huang, X, Du, Z.
登録日2014-02-17
公開日2015-02-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The FP domains of PI31 and Fbxo7 have the same protein fold but very different modes of protein-protein interaction.
J.Biomol.Struct.Dyn., 33, 2015
3M3Y
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BU of 3m3y by Molmil
RNA polymerase II elongation complex C
分子名称: DNA (28-MER), DNA (5'-D(*GP*TP*GP*GP*TP*TP*AP*TP*GP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, D, Zhu, G, Huang, X, Lippard, S.J.
登録日2010-03-10
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献X-ray structure and mechanism of RNA polymerase II stalled at an antineoplastic monofunctional platinum-DNA adduct.
Proc.Natl.Acad.Sci.USA, 107, 2010
3OT1
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BU of 3ot1 by Molmil
Crystal structure of VC2308 protein
分子名称: 4-methyl-5(B-hydroxyethyl)-thiazole monophosphate biosynthesis enzyme, CHLORIDE ION, SODIUM ION
著者Niedzialkowska, E, Wawrzak, Z, Chruszcz, M, Porebski, P, Skarina, T, Huang, X, Grimshaw, S, Cymborowski, M, Savchenko, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-09-10
公開日2010-09-22
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Crystal structure of VC2308 protein
To be Published
2LZG
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BU of 2lzg by Molmil
NMR Structure of Mdm2 (6-125) with Pip-1
分子名称: E3 ubiquitin-protein ligase Mdm2, [(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid
著者Michelsen, K.B, Jordan, J.B, Lewis, J, Long, A.M, Yang, E, Rew, Y, Zhou, J, Yakowec, P, Schnier, P.D, Huang, X, Poppe, L.
登録日2012-10-02
公開日2012-11-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Ordering of the N-Terminus of Human MDM2 by Small Molecule Inhibitors.
J.Am.Chem.Soc., 134, 2012
4L9C
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BU of 4l9c by Molmil
Crystal structure of the FP domain of human F-box protein Fbxo7 (native)
分子名称: F-box only protein 7, GLYCEROL
著者Du, Z, Huang, X, Shang, J, Yang, Y, Wang, G.
登録日2013-06-18
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the FP domain of Fbxo7 reveals a novel mode of protein-protein interaction.
Acta Crystallogr.,Sect.D, 70, 2014
4L9H
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BU of 4l9h by Molmil
Crystal structure of the FP domain of human F-box protein Fbxo7(SeMet)
分子名称: F-box only protein 7
著者Du, Z, Huang, X, Shang, J, Yang, Y, Wang, G.
登録日2013-06-18
公開日2014-01-15
最終更新日2014-10-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the FP domain of Fbxo7 reveals a novel mode of protein-protein interaction.
Acta Crystallogr.,Sect.D, 70, 2014
5YEW
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BU of 5yew by Molmil
Structural basis for GTP hydrolysis and conformational change of mitofusin 1 in mediating mitochondrial fusion
分子名称: BERYLLIUM TRIFLUORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Yan, L, Qi, Y, Huang, X, Yu, C.
登録日2017-09-20
公開日2018-01-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for GTP hydrolysis and conformational change of MFN1 in mediating membrane fusion
Nat. Struct. Mol. Biol., 25, 2018
6BSY
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BU of 6bsy by Molmil
HIV-1 Rev assembly domain (residues 1-69)
分子名称: PHOSPHATE ION, Protein Rev
著者Watts, N.R, Eren, E, Zhuang, X, Wang, Y.X, Steven, A.C, Wingfield, P.T.
登録日2017-12-04
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A new HIV-1 Rev structure optimizes interaction with target RNA (RRE) for nuclear export.
J. Struct. Biol., 203, 2018
4NLH
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BU of 4nlh by Molmil
SKICH domain of human TAX1BP1
分子名称: Tax1-binding protein 1
著者Yang, Y, Wang, G, Huang, X, Zhu, J, Du, Z.
登録日2013-11-14
公開日2014-12-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献SKICH domain of human TAX1BP1
To be published
7WJS
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BU of 7wjs by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157
分子名称: 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-07
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WKY
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BU of 7wky by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13153
分子名称: 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-12
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WNI
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BU of 7wni by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158
分子名称: 1,2-ETHANEDIOL, 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, ...
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-18
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WMU
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BU of 7wmu by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13146
分子名称: 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-17
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022

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