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4E5N
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BU of 4e5n by Molmil
Thermostable phosphite dehydrogenase in complex with NAD
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Thermostable phosphite dehydrogenase
著者Zou, Y, Zhang, H, Nair, S.K.
登録日2012-03-14
公開日2012-05-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration.
Biochemistry, 51, 2012
4E5M
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BU of 4e5m by Molmil
Thermostable phosphite dehydrogenase E175A/A176R in complex with NADP
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thermostable phosphite dehydrogenase
著者Zou, Y, Zhang, H, Nair, S.K.
登録日2012-03-14
公開日2012-05-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration.
Biochemistry, 51, 2012
6NIH
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BU of 6nih by Molmil
Crystal structure of human TLR1
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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Su, L, Zhang, H.
登録日2018-12-27
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of TLR2/TLR1 Activation by the Synthetic Agonist Diprovocim.
J. Med. Chem., 62, 2019
8JYL
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BU of 8jyl by Molmil
Acyl-ACP Synthetase structure bound to C10-AMS
分子名称: Acyl-acyl carrier protein synthetase, MAGNESIUM ION, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-decanoylsulfamate
著者Huang, H, Chang, S, Huang, M, Zhang, H, Zhou, C, Zhang, X, Feng, Y.
登録日2023-07-03
公開日2024-07-10
実験手法ELECTRON MICROSCOPY (2.33 Å)
主引用文献Acyl-ACP Synthetase structure bound to C10-AMS
To Be Published
8JYU
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BU of 8jyu by Molmil
Acyl-ACP Synthetase structure bound to Decanoyl-AMP
分子名称: ADENOSINE MONOPHOSPHATE, Acyl-acyl carrier protein synthetase, DECANOIC ACID, ...
著者Huang, H, Chang, S, Huang, M, Zhang, H, Zhou, C, Zhang, X, Feng, Y.
登録日2023-07-03
公開日2024-07-10
実験手法ELECTRON MICROSCOPY (2.19 Å)
主引用文献Acyl-ACP Synthetase structure bound to Decanoyl-AMP
To Be Published
2O2N
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BU of 2o2n by Molmil
Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand
分子名称: 4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-1-YL]-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE, Apoptosis regulator Bcl-X
著者Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W.
登録日2006-11-30
公開日2007-02-27
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
2O2F
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BU of 2o2f by Molmil
Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand
分子名称: 4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE, Apoptosis regulator Bcl-2
著者Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W.
登録日2006-11-29
公開日2007-02-27
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
2O21
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BU of 2o21 by Molmil
Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand
分子名称: 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-2
著者Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W.
登録日2006-11-29
公開日2007-02-27
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
2O1Y
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BU of 2o1y by Molmil
Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand
分子名称: 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-X
著者Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W.
登録日2006-11-29
公開日2007-02-27
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
2O22
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BU of 2o22 by Molmil
Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand
分子名称: Apoptosis regulator Bcl-2, N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide
著者Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W.
登録日2006-11-29
公開日2007-02-27
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
2O2M
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BU of 2o2m by Molmil
Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand
分子名称: 4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE, Apoptosis regulator Bcl-X
著者Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W.
登録日2006-11-30
公開日2007-02-27
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL.
J.Med.Chem., 50, 2007
8GNA
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BU of 8gna by Molmil
Structure of the SbCas7-11-crRNA-NTR complex
分子名称: RAMP superfamily protein, RNA (32-MER), RNA (5'-R(P*GP*GP*GP*GP*CP*AP*GP*AP*AP*AP*AP*UP*UP*GP*GP*GP*U)-3'), ...
著者Yu, G, Wang, X, Deng, Z, Zhang, H.
登録日2022-08-23
公開日2023-01-18
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Target RNA-guided protease activity in type III-E CRISPR-Cas system.
Nucleic Acids Res., 50, 2022
8GU6
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BU of 8gu6 by Molmil
Structure of the SbCas7-11-crRNA-NTR-Csx29 complex
分子名称: CHAT domain protein, RAMP superfamily protein, RNA (33-MER), ...
著者Yu, G, Wang, X, Deng, Z, Zhang, H.
登録日2022-09-10
公開日2023-01-18
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Target RNA-guided protease activity in type III-E CRISPR-Cas system.
Nucleic Acids Res., 50, 2022
8H2T
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BU of 8h2t by Molmil
Cryo-EM structure of IadD/E dioxygenase bound with IAA
分子名称: 1H-INDOL-3-YLACETIC ACID, Aromatic-ring-hydroxylating dioxygenase beta subunit, FE (III) ION, ...
著者Yu, G, Li, Z, Zhang, H.
登録日2022-10-07
公開日2023-06-14
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.59 Å)
主引用文献Structural and biochemical characterization of the key components of an auxin degradation operon from the rhizosphere bacterium Variovorax.
Plos Biol., 21, 2023
6LG4
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BU of 6lg4 by Molmil
crystal structure of the first bromodomain of human BRD4 in complex with compound BDF-1024
分子名称: 7-chloranyl-5-nitro-quinolin-8-ol, Bromodomain-containing protein 4
著者Xu, H, Zuo, Y, Zhang, H.
登録日2019-12-04
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
6LG8
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BU of 6lg8 by Molmil
crystal structure of the first bromodomain of human BRD4 in complex with compound BDF-2138
分子名称: 2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol, Bromodomain-containing protein 4
著者Xu, H, Zuo, Y, Zhang, H.
登録日2019-12-04
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
6UVN
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BU of 6uvn by Molmil
CryoEM structure of VcCascasde-TniQ complex
分子名称: Cas6, Cas7, Cas8/5, ...
著者Chang, L, Li, Z, Zhang, H.
登録日2019-11-03
公開日2020-01-29
最終更新日2020-02-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structure of a type I-F CRISPR RNA guided surveillance complex bound to transposition protein TniQ.
Cell Res., 30, 2020
3R1B
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BU of 3r1b by Molmil
Open crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene
分子名称: (4-tert-butylphenyl)acetaldehyde, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
著者Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R.
登録日2011-03-09
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity.
Biochemistry, 50, 2011
5H4B
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BU of 5h4b by Molmil
Crystal structure of Cbln4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-4
著者Zhong, C, Shen, J, Zhang, H, Ding, J.
登録日2016-10-31
公開日2017-09-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions.
Cell Rep, 20, 2017
3R1A
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BU of 3r1a by Molmil
Closed crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene
分子名称: (4-tert-butylphenyl)acetaldehyde, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
著者Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R.
登録日2011-03-09
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity.
Biochemistry, 50, 2011
5WSZ
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BU of 5wsz by Molmil
Crystal structure of a lytic polysaccharide monooxygenase,BtLPMO10A, from Bacillus thuringiensis
分子名称: COPPER (II) ION, LpmO10A
著者Zhao, Y, Zhang, H, Yin, H.
登録日2016-12-08
公開日2017-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.565 Å)
主引用文献Crystal structure of a lytic polysaccharide monooxygenase,BtLPMO10A, from Bacillus thuringiensis
To Be Published
2KEB
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BU of 2keb by Molmil
NMR solution structure of the N-terminal domain of the DNA polymerase alpha p68 subunit
分子名称: DNA polymerase subunit alpha B
著者Huang, H, Weiner, B.E, Zhang, H, Fuller, B.E, Gao, Y, Wile, B.M, Chazin, W.J, Fanning, E.
登録日2009-01-28
公開日2010-02-02
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of a DNA polymerase alpha-primase domain that docks on the SV40 helicase and activates the viral primosome.
J.Biol.Chem., 285, 2010
5V7R
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BU of 5v7r by Molmil
Cyrstal structure of anti-Tau antibody CBTAU-7.1 Fab
分子名称: CBTAU-7.1 Fab heavy chain, CBTAU-7.1 Fab light chain
著者Zhu, X, Zhang, H, Wilson, I.A.
登録日2017-03-20
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Immunological memory to hyperphosphorylated tau in asymptomatic individuals.
Acta Neuropathol., 133, 2017
5V7U
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BU of 5v7u by Molmil
Cyrstal structure of anti-Tau antibody CBTAU-22.1 Fab
分子名称: CBTAU-22.1 Fab heavy chain, CBTAU-22.1 Fab light chain, SULFATE ION
著者Zhu, X, Zhang, H, Wilson, I.A.
登録日2017-03-20
公開日2017-04-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Immunological memory to hyperphosphorylated tau in asymptomatic individuals.
Acta Neuropathol., 133, 2017
2L6E
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BU of 2l6e by Molmil
NMR Structure of the monomeric mutant C-terminal domain of HIV-1 Capsid in complex with stapled peptide Inhibitor
分子名称: Capsid protein p24, NYAD-13 stapled peptide inhibitor
著者Bhattacharya, S, Zhang, H, Debnath, A.K, Cowburn, D.
登録日2010-11-18
公開日2010-12-29
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Solution structure of a hydrocarbon stapled peptide inhibitor in complex with monomeric C-terminal domain of HIV-1 capsid.
J.Biol.Chem., 283, 2008

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