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2Y06
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BU of 2y06 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE ANTI-(4-HYDROXY-3-NITROPHENYL) - ACETYL MURINE GERMLINE ANTIBODY BBE6.12H3 FAB FRAGMENT IN COMPLEX WITH A PHAGE DISPLAY DERIVED DODECAPEPTIDE GDPRPSYISHLL
分子名称: ANTI-NP MURINE GERMLINE MONOCLONAL ANTIBODY BBE6.12H3, HEAVY CHAIN, LIGHT CHAIN, ...
著者Khan, T, Salunke, D.M.
登録日2010-11-30
公開日2011-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Elucidation of the Mechanistic Basis of Degeneracy in the Primary Humoral Response.
J.Immunol., 188, 2012
2Y07
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BU of 2y07 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE ANTI-(4-HYDROXY-3-NITROPHENYL) - ACETYL MURINE GERMLINE MONOCLONAL ANTIBODY BBE6.12H3 FAB FRAGMENT IN COMPLEX WITH A PHAGE DISPLAY DERIVED DODECAPEPTIDE PPYPAWHAPGNI
分子名称: ANTI-NP MURINE GERMLINE MONOCLONAL ANTIBODY BBE6.12H3, HEAVY CHAIN, LIGHT CHAIN, ...
著者Khan, T, Salunke, D.M.
登録日2010-11-30
公開日2011-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Elucidation of the Mechanistic Basis of Degeneracy in the Primary Humoral Response.
J.Immunol., 188, 2012
2Y36
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BU of 2y36 by Molmil
Crystal structure analysis of the anti-(4-hydroxy-3-nitrophenyl)- acetyl murine germline antibody BBE6.12H3 Fab fragment in complex with a phage display derived dodecapeptide DLWTTAIPTIPS
分子名称: ANTI-NP MURINE GERMLINE MONOCLONAL ANTIBODY BBE6.12H3, DODECAPEPTIDE (DLWTTAIPTIPS)
著者Khan, T, Salunke, D.M.
登録日2010-12-18
公開日2011-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Elucidation of the Mechanistic Basis of Degeneracy in the Primary Humoral Response.
J.Immunol., 188, 2012
2XZQ
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BU of 2xzq by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE ANTI-(4-HYDROXY-3-NITROPHENYL)- ACETYL MURINE GERMLINE MONOCLONAL ANTIBODY BBE6.12H3 FAB FRAGMENT IN COMPLEX WITH A PHAGE DISPLAY DERIVED DODECAPEPTIDE YQLRPNAETLRF
分子名称: ANTI-NP MURINE GERMLINE MONOCLONAL ANTIBODY BBE6.12H3, HEAVY CHAIN, LIGHT CHAIN, ...
著者Khan, T, Salunke, D.M.
登録日2010-12-01
公開日2011-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Elucidation of the Mechanistic Basis of Degeneracy in the Primary Humoral Response.
J.Immunol., 188, 2012
4A6Y
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BU of 4a6y by Molmil
CRYSTAL STRUCTURE OF FAB FRAGMENT OF ANTI-(4-HYDROXY-3-NITROPHENYL) -ACETYL MURINE GERMLINE ANTIBODY BBE6.12H3
分子名称: ANTIBODY BBE6.12H3 HEAVY CHAIN, ANTIBODY BBE6.12H3 LIGHT CHAIN
著者Khan, T, Salunke, D.M.
登録日2011-11-10
公開日2012-02-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Elucidation of the Mechanistic Basis of Degeneracy in the Primary Humoral Response.
J.Immunol., 188, 2012
4BH7
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BU of 4bh7 by Molmil
CRYSTAL STRUCTURE OF GERMLINE ANTIBODY 36-65 IN COMPLEX WITH PEPTIDE PPYPAWHAPGNI
分子名称: ANTI-ARS MURINE GERMLINE MONOCLONAL ANTIBODY 36-65, DODECAPEPTIDE ANTIGEN
著者Khan, T, Salunke, D.M.
登録日2013-03-30
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Adjustable Locks and Flexible Keys: Plasticity of Epitope-Paratope Interactions in Germline Antibodies.
J.Immunol., 192, 2014
4BH8
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BU of 4bh8 by Molmil
CRYSTAL STRUCTURE OF GERMLINE ANTIBODY 36-65 IN COMPLEX WITH PEPTIDE GDPRPSYISHLL
分子名称: ANTI-ARS MURINE GERMLINE MONOCLONAL ANTIBODY 36-65, DODECAPEPTIDE ANTIGEN
著者Khan, T, Salunke, D.M.
登録日2013-03-30
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Adjustable Locks and Flexible Keys: Plasticity of Epitope-Paratope Interactions in Germline Antibodies.
J.Immunol., 192, 2014
6GJ4
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BU of 6gj4 by Molmil
Tubulin-6j complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate, CALCIUM ION, ...
著者Brindisi, M, Ulivieri, C, Alfano, G, Gemma, S, Balaguer, F.d.A, Khan, T, Grillo, A, Chemi, G, Menchon, G, Prota, A.E, Olieric, N, Agell, D.L, Barasoain, I, Diaz, J.F, Nebbioso, A, Conte, M.R, Lopresti, L, Magnano, S, Amet, R, Kinsella, P, Zisterer, D.M, Ibrahim, O, O'Sullivan, J, Morbidelli, L, Spaccapelo, R, Baldari, C, Butini, S, Novellino, E, Campiani, G, Altucci, L, Steinmetz, M.O, Brogi, S.
登録日2018-05-16
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-activity relationships, biological evaluation and structural studies of novel pyrrolonaphthoxazepines as antitumor agents.
Eur J Med Chem, 162, 2018
4AC2
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BU of 4ac2 by Molmil
CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-7
分子名称: 2,4-DICHLORO-1-[4-(CHLOROMETHYL)-2-METHOXYPHENOXY]BENZENE, TRANSTHYRETIN
著者Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
登録日2011-12-12
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites.
Plos One, 7, 2012
4ABV
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BU of 4abv by Molmil
CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-3
分子名称: 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol, TRANSTHYRETIN
著者Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
登録日2011-12-11
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites.
Plos One, 7, 2012
4ABQ
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BU of 4abq by Molmil
CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-1
分子名称: 3-(5-MERCAPTO-1,3,4-OXADIAZOL-2-YL)-PHENOL, TRANSTHYRETIN
著者Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
登録日2011-12-10
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites.
Plos One, 7, 2012
4ANK
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BU of 4ank by Molmil
Crystallographic study of novel transthyretin ligands exhibiting negative-cooperativity between two T4 binding sites.
分子名称: TRANSTHYRETIN
著者Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
登録日2012-03-20
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites.
Plos One, 7, 2012
4ACT
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BU of 4act by Molmil
CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-17
分子名称: 3-hydroxy-4-phenoxybenzaldehyde, TRANSTHYRETIN
著者Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
登録日2011-12-19
公開日2012-12-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic Study of Novel Transthyretin Inhibitors: Unique Mechanism of Negative-Cooperativity between Two T4 Binding Sites
To be Published
4ABU
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BU of 4abu by Molmil
CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-2
分子名称: 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde, TRANSTHYRETIN
著者Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
登録日2011-12-11
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites.
Plos One, 7, 2012
4AC4
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BU of 4ac4 by Molmil
CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-18
分子名称: 3-METHOXY-4-PHENOXYBENZOIC ACID, TRANSTHYRETIN
著者Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
登録日2011-12-13
公開日2012-12-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites.
Plos One, 7, 2012
4ABW
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BU of 4abw by Molmil
Crystal Structure of Transthyretin in Complex With Ligand C-6
分子名称: TRANSTHYRETIN, {4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzene-1,3-diyl}bis[hydroxy(oxo)ammonium]
著者Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
登録日2011-12-11
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites.
Plos One, 7, 2012
7W5U
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BU of 7w5u by Molmil
Acetyl-CoA Carboxylase-AccB
分子名称: Acetyl-CoA carboxylase complex, beta-chain, GLYCEROL, ...
著者Ali, I, Zheng, J.
登録日2021-11-30
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal structure of Acetyl-CoA carboxylase (AccB) from Streptomyces antibioticus and insights into the substrate-binding through in silico mutagenesis and biophysical investigations.
Comput Biol Med, 145, 2022
7NVP
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BU of 7nvp by Molmil
Trypanothione reductase from Trypanosoma brucei in complex with N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N(1),N(8)-bis(glutathionyl)spermidine reductase, ...
著者Battista, T, Fiorillo, A, Colotti, G, Ilari, A.
登録日2021-03-15
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.153 Å)
主引用文献Optimization of Potent and Specific Trypanothione Reductase Inhibitors: A Structure-Based Drug Discovery Approach.
Acs Infect Dis., 8, 2022
4S1G
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BU of 4s1g by Molmil
Renin in complex with (S)-1-(3-fluoro-5-(((S)-1-phenylethyl)carbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide, Renin
著者Orth, P.
登録日2015-01-13
公開日2015-02-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Iminopyrimidinones: A novel pharmacophore for the development of orally active renin inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4XX4
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BU of 4xx4 by Molmil
Renin in complex with (4S)-4-isopropyl-4-methyl-6-oxo-1-(3-(2-oxo-4-phenylpyrrolidin-1-yl)benzyl)tetrahydropyrimidin-2(1H)-iminium
分子名称: (2Z,6S)-2-imino-6-methyl-3-{3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Orth, P.
登録日2015-01-29
公開日2015-02-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
Bioorg. Med. Chem. Lett., 25, 2015
4XX3
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BU of 4xx3 by Molmil
Renin in complex with (S)-1-(3-(benzylcarbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-benzyl-3-{[(2Z,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)tetrahydropyrimidin-1(2H)-yl]methyl}benzamide, Renin
著者Orth, P.
登録日2015-01-29
公開日2015-02-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
Bioorg. Med. Chem. Lett., 25, 2015
7MZV
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BU of 7mzv by Molmil
Structure of yeast pseudouridine synthase 7 (PUS7)
分子名称: Multisubstrate pseudouridine synthase 7, SULFATE ION
著者Purchal, M, Koutmos, M.
登録日2021-05-24
公開日2022-02-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Pseudouridine synthase 7 is an opportunistic enzyme that binds and modifies substrates with diverse sequences and structures.
Proc.Natl.Acad.Sci.USA, 119, 2022
3RB9
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BU of 3rb9 by Molmil
Crystal structure of the M. tuberculosis beta clamp
分子名称: DNA polymerase III subunit beta
著者Kukshal, V, Ramachandran, R.
登録日2011-03-29
公開日2012-04-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献M. tuberculosis Sliding beta-Clamp Does Not Interact Directly with the NAD(+)-Dependent DNA Ligase
Plos One, 7, 2012

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