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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
Descriptor: ANTI-NP MURINE GERMLINE MONOCLONAL ANTIBODY BBE6.12H3, HEAVY CHAIN, LIGHT CHAIN, ...
Authors:Khan, T, Salunke, D.M.
Deposit date:2010-11-30
Release date:2011-12-28
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: ANTI-NP MURINE GERMLINE MONOCLONAL ANTIBODY BBE6.12H3, HEAVY CHAIN, LIGHT CHAIN, ...
Authors:Khan, T, Salunke, D.M.
Deposit date:2010-12-01
Release date:2011-12-28
Last modified:2012-02-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: ANTI-NP MURINE GERMLINE MONOCLONAL ANTIBODY BBE6.12H3, DODECAPEPTIDE (DLWTTAIPTIPS)
Authors:Khan, T, Salunke, D.M.
Deposit date:2010-12-18
Release date:2011-12-28
Last modified:2012-02-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: ANTI-NP MURINE GERMLINE MONOCLONAL ANTIBODY BBE6.12H3, HEAVY CHAIN, LIGHT CHAIN, ...
Authors:Khan, T, Salunke, D.M.
Deposit date:2010-11-30
Release date:2011-12-28
Last modified:2012-02-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: ANTIBODY BBE6.12H3 HEAVY CHAIN, ANTIBODY BBE6.12H3 LIGHT CHAIN
Authors:Khan, T, Salunke, D.M.
Deposit date:2011-11-10
Release date:2012-02-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: ANTI-ARS MURINE GERMLINE MONOCLONAL ANTIBODY 36-65, DODECAPEPTIDE ANTIGEN
Authors:Khan, T, Salunke, D.M.
Deposit date:2013-03-30
Release date:2014-04-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.89 Å)
Cite: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
Descriptor: ANTI-ARS MURINE GERMLINE MONOCLONAL ANTIBODY 36-65, DODECAPEPTIDE ANTIGEN
Authors:Khan, T, Salunke, D.M.
Deposit date:2013-03-30
Release date:2014-04-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 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, ...
Authors: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.
Deposit date:2018-05-16
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-activity relationships, biological evaluation and structural studies of novel pyrrolonaphthoxazepines as antitumor agents.
Eur J Med Chem, 162, 2018
4AC4
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BU of 4ac4 by Molmil
CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-18
Descriptor: 3-METHOXY-4-PHENOXYBENZOIC ACID, TRANSTHYRETIN
Authors:Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
Deposit date:2011-12-13
Release date:2012-12-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: TRANSTHYRETIN, {4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzene-1,3-diyl}bis[hydroxy(oxo)ammonium]
Authors:Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
Deposit date:2011-12-11
Release date:2012-09-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol, TRANSTHYRETIN
Authors:Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
Deposit date:2011-12-11
Release date:2012-09-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites.
Plos One, 7, 2012
4ABU
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BU of 4abu by Molmil
CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-2
Descriptor: 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde, TRANSTHYRETIN
Authors:Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
Deposit date:2011-12-11
Release date:2012-09-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite: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
Descriptor: 3-(5-MERCAPTO-1,3,4-OXADIAZOL-2-YL)-PHENOL, TRANSTHYRETIN
Authors:Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
Deposit date:2011-12-10
Release date:2012-09-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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.
Descriptor: TRANSTHYRETIN
Authors:Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
Deposit date:2012-03-20
Release date:2012-09-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 3-hydroxy-4-phenoxybenzaldehyde, TRANSTHYRETIN
Authors:Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
Deposit date:2011-12-19
Release date:2012-12-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic Study of Novel Transthyretin Inhibitors: Unique Mechanism of Negative-Cooperativity between Two T4 Binding Sites
To be Published
4AC2
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BU of 4ac2 by Molmil
CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-7
Descriptor: 2,4-DICHLORO-1-[4-(CHLOROMETHYL)-2-METHOXYPHENOXY]BENZENE, TRANSTHYRETIN
Authors:Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
Deposit date:2011-12-12
Release date:2012-09-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites.
Plos One, 7, 2012
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
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N(1),N(8)-bis(glutathionyl)spermidine reductase, ...
Authors:Battista, T, Fiorillo, A, Colotti, G, Ilari, A.
Deposit date:2021-03-15
Release date:2022-03-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.153 Å)
Cite: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
Descriptor: 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
Authors:Orth, P.
Deposit date:2015-01-13
Release date:2015-02-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: (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
Authors:Orth, P.
Deposit date:2015-01-29
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 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
Authors:Orth, P.
Deposit date:2015-01-29
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
Bioorg. Med. Chem. Lett., 25, 2015
7W5U
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BU of 7w5u by Molmil
Acetyl-CoA Carboxylase-AccB
Descriptor: Acetyl-CoA carboxylase complex, beta-chain, GLYCEROL, ...
Authors:Ali, I, Zheng, J.
Deposit date:2021-11-30
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.34 Å)
Cite: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
7MZV
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BU of 7mzv by Molmil
Structure of yeast pseudouridine synthase 7 (PUS7)
Descriptor: Multisubstrate pseudouridine synthase 7, SULFATE ION
Authors:Purchal, M, Koutmos, M.
Deposit date:2021-05-24
Release date:2022-02-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Pseudouridine synthase 7 is an opportunistic enzyme that binds and modifies substrates with diverse sequences and structures.
Proc.Natl.Acad.Sci.USA, 119, 2022

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