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4UMI
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BU of 4umi by Molmil
Crystal structure of the fiber head domain of the Atadenovirus snake adenovirus 1, native, F23 crystal form
Descriptor: FIBER PROTEIN
Authors:Singh, A.K, van Raaij, M.J.
Deposit date:2014-05-17
Release date:2014-12-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Crystal structure of the fibre head domain of the Atadenovirus Snake Adenovirus 1.
PLoS ONE, 9, 2014
2E9E
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BU of 2e9e by Molmil
Crystal structure of the complex of goat lactoperoxidase with Nitrate at 3.25 A resolution
Descriptor: 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Singh, A.K, Prem kumar, R, Singh, N, Sharma, S, Singh, S.B, Bhushan, A, Kaur, P, Singh, T.P.
Deposit date:2007-01-25
Release date:2007-02-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Crystal structure of the complex of goat lactoperoxidase with Nitrate at 3.25 A resolution
To be Published
3I6N
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BU of 3i6n by Molmil
Mode of Binding of the Tuberculosis Prodrug Isoniazid to Peroxidases: Crystal Structure of Bovine Lactoperoxidase with Isoniazid at 2.7 Resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(DIAZENYLCARBONYL)PYRIDINE, CALCIUM ION, ...
Authors:Singh, A.K, Kumar, R.P, Pandey, N, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2009-07-07
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mode of binding of the tuberculosis prodrug isoniazid to heme peroxidases: binding studies and crystal structure of bovine lactoperoxidase with isoniazid at 2.7 A resolution.
J.Biol.Chem., 285, 2010
2IPS
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BU of 2ips by Molmil
Crystal structure of a ternary complex of bovine lactoperoxidase with thiocyanate and iodide at 3.1 A resolution
Descriptor: 2-acetamido-2-deoxy-alpha-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, CALCIUM ION, ...
Authors:Singh, A.K, Singh, N, Sharma, S, Singh, T.P.
Deposit date:2006-10-12
Release date:2006-10-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of a ternary complex of bovine lactoperoxidase with thiocyanate and iodide at 3.1 A resolution
To be Published
3KRQ
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BU of 3krq by Molmil
Crystal structure of the complex of lactoperoxidase with a potent inhibitor amino-triazole at 2.2a resolution
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-AMINO-1,2,4-TRIAZOLE, ...
Authors:Singh, A.K, Singh, N, Sinha, M, Kushwaha, G.S, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
Deposit date:2009-11-19
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:First structural evidence for the mode of diffusion of aromatic ligands and ligand-induced closure of the hydrophobic channel in heme peroxidases
J.Biol.Inorg.Chem., 15, 2010
6QGP
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BU of 6qgp by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-0769
Descriptor: 1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
Authors:Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
Deposit date:2019-01-12
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.942 Å)
Cite:Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-0769
To be published
2DQK
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BU of 2dqk by Molmil
Crystal structure of the complex of proteinase K with a specific lactoferrin peptide Val-Leu-Leu-His at 1.93 A resolution
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K, ...
Authors:Singh, A.K, Singh, N, Sharma, S, Dey, S, Bhushan, A, Singh, T.P.
Deposit date:2006-05-29
Release date:2006-06-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of the complex of proteinase K with a specific lactoferrin peptide Val-Leu-Leu-His at 1.93 resolution
To be Published
2DUJ
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BU of 2duj by Molmil
Crystal structure of the complex formed between proteinase K and a synthetic peptide Leu-Leu-Phe-Asn-Asp at 1.67 A resolution
Descriptor: CALCIUM ION, LLFND, NITRATE ION, ...
Authors:Singh, A.K, Singh, N, Somvanshi, R.K, Gupta, D, Sharma, S, Singh, T.P.
Deposit date:2006-07-23
Release date:2006-08-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal structure of the complex of proteinase K with a specific lactoferrin peptide Val-Leu-Leu-His at 1.93 A resolution
To be Published
2DP4
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BU of 2dp4 by Molmil
Crystal structure of the complex formed between proteinase K and a human lactoferrin fragment at 2.9 A resolution
Descriptor: 8-mer peptide from Lactotransferrin, Proteinase K
Authors:Singh, A.K, Singh, N, Sharma, S, Bhushan, A, Singh, T.P.
Deposit date:2006-05-05
Release date:2006-05-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the complex formed between proteinase K and a human lactoferrin fragment at 2.9 A resolution
To be Published
2EFB
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BU of 2efb by Molmil
Crystal structure of the complex of goat lactoperoxidase with phosphate at 2.94 A resolution
Descriptor: 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Singh, A.K, Hariprasad, G, Prem Kumar, R, Singh, N, Bhushan, A, Sharma, S, Kaur, P, Singh, T.P.
Deposit date:2007-02-22
Release date:2007-03-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Crystal structure of the complex of goat lactoperoxidase with phosphate at 2.94 A resolution
To be Published
2EHA
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BU of 2eha by Molmil
Crystal structure of goat lactoperoxidase complexed with formate anion at 3.3 A resolution
Descriptor: 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Singh, A.K, Ethayathulla, A.S, Singh, N, Sharma, S, Kaur, P, Singh, T.P.
Deposit date:2007-03-06
Release date:2007-04-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of goat lactoperoxidase complexed with formate anion at 3.3 A resolution
to be published
2OJV
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BU of 2ojv by Molmil
Crystal structure of a ternary complex of goat lactoperoxidase with cyanide and iodide ions at 2.4 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CARBONATE ION, ...
Authors:Singh, A.K, Singh, N, Singh, S.B, Sharma, S, Kaur, P, Singh, T.P.
Deposit date:2007-01-15
Release date:2007-01-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a ternary complex of goat lactoperoxidase with cyanide and iodide ions at 2.4 A resolution
To be Published
7OZW
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BU of 7ozw by Molmil
Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with fragment 166 at the transient P-pocket
Descriptor: (1~{R},2~{R})-2-phenyl-~{N}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide, DNA (37-MER), Reverse transcriptase/ribonuclease H
Authors:Singh, A.K, Das, K.
Deposit date:2021-06-28
Release date:2021-12-08
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening.
Nat Commun, 12, 2021
7P15
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BU of 7p15 by Molmil
Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with fragment F04 at the transient P-pocket
Descriptor: (1~{R},2~{R})-~{N}-(1~{H}-pyrazol-4-yl)-2-pyridin-3-yl-cyclopropane-1-carboxamide, DNA (37-MER), Reverse transcriptase/ribonuclease H
Authors:Singh, A.K, Das, K.
Deposit date:2021-07-01
Release date:2021-12-08
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening.
Nat Commun, 12, 2021
2R5L
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BU of 2r5l by Molmil
Crystal structure of lactoperoxidase at 2.4A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ...
Authors:Singh, A.K, Singh, N, Sharma, S, Kaur, P, Srinivasan, A, Singh, T.P.
Deposit date:2007-09-04
Release date:2007-09-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Lactoperoxidase at 2.4 A Resolution.
J.Mol.Biol., 376, 2007
4G1P
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BU of 4g1p by Molmil
Structural and Mechanistic Basis of Substrate Recognition by Novel Di-peptidase Dug1p From Saccharomyces cerevisiae
Descriptor: CYSTEINE, Cys-Gly metallodipeptidase DUG1, GLYCINE, ...
Authors:Singh, A.K, Singh, M, Pandya, V.K, Singh, V, Mittal, M, Kumaran, S.
Deposit date:2012-07-11
Release date:2013-07-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.547 Å)
Cite:Structural and Mechanistic Basis of Substrate Recognition by Novel Di-peptidase Dug1p From Saccromyces cerevesiae
To be published
2NQX
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BU of 2nqx by Molmil
Crystal Structure of bovine lactoperoxidase with iodide ions at 2.9A resolution
Descriptor: 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Singh, A.K, Kaur, P, Singh, N, Bhushan, A, Sharma, S, Singh, T.P.
Deposit date:2006-11-01
Release date:2006-11-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal Structure of bovine lactoperoxidase with iodide ions at 2.9A resolution
To be Published
2PT3
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BU of 2pt3 by Molmil
Crystal structure of bovine lactoperoxidase at 2.34 A resolution reveals multiple anion binding sites
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lactoperoxidase, ...
Authors:Singh, A.K, Singh, N, Sharma, S, Kaur, P, Betzel, C, Singh, T.P.
Deposit date:2007-05-08
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Crystal structure of bovine lactoperoxidase at 2.34 A resolution reveals multiple anion binding sites
To be Published
2PWB
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BU of 2pwb by Molmil
Crystal structure of the complex of proteinase K with coumarin at 1.9 A resolution
Descriptor: CALCIUM ION, COUMARIN, NITRATE ION, ...
Authors:Singh, A.K, Singh, N, Sinha, M, Sharma, S, Kaur, P, Singh, T.P.
Deposit date:2007-05-11
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the complex of proteinase K with coumarin at 1.9A resolution
To be Published
2PYZ
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BU of 2pyz by Molmil
Crystal structure of the complex of proteinase K with auramine at 1.8A resolution
Descriptor: 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE), CALCIUM ION, NITRATE ION, ...
Authors:Singh, A.K, Singh, N, Sinha, M, Sharma, S, Bhushan, A, Kaur, P, Singh, T.P.
Deposit date:2007-05-17
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structure of the complex of Proteinase K with auramine at 1.8A resolution
To be Published
2PUM
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BU of 2pum by Molmil
Crystal structure of bovine lactoperoxidase complex with catechol and iodide at 2.7 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CATECHOL, ...
Authors:Singh, A.K, Singh, N, Sharma, S, Kaur, P, Singh, T.P.
Deposit date:2007-05-09
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of bovine lactoperoxidase complex with catechol and iodide at 2.7 A resolution
To be Published
7A28
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BU of 7a28 by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-617
Descriptor: 1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
Deposit date:2020-08-16
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-617
To be published
7A2F
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BU of 7a2f by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-656
Descriptor: 1-cycloheptyl-3-{4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl}-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, FORMIC ACID, GLYCEROL, ...
Authors:Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
Deposit date:2020-08-17
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-656
To be published
2QF8
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BU of 2qf8 by Molmil
Crystal structure of the complex of Buffalo Secretory Glycoprotein with tetrasaccharide at 2.8A resolution
Descriptor: 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1
Authors:Singh, A.K, Jain, R, Sinha, M, Kumar, A, Singh, N, Sharma, S, Kaur, P, Singh, T.P.
Deposit date:2007-06-27
Release date:2007-07-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the complex of Buffalo Secretory Glycoprotein with Tetrasaccharide at 2.8A resolution
To be Published
7ABJ
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BU of 7abj by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1361
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-isopropyl-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one, ...
Authors:Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
Deposit date:2020-09-07
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:hPDE4D2 structure with inhibitor NPD-1361
To be published

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