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5N83
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BU of 5n83 by Molmil
Structure of the distal domain of mouse adenovirus 2 fibre, methylmercury chloride derivative
Descriptor: Fiber, MERCURY (II) ION
Authors:Singh, A.K, van Raaij, M.J.
Deposit date:2017-02-22
Release date:2018-03-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structure and N-acetylglucosamine binding of the distal domain of mouse adenovirus 2 fibre.
J. Gen. Virol., 99, 2018
4CW8
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BU of 4cw8 by Molmil
Structure of the carboxy-terminal domain of the turkey type 3 siadenovirus fibre, virulent form
Descriptor: FIBER KNOB DOMAIN, PHOSPHATE ION
Authors:Singh, A.K, van Raaij, M.J.
Deposit date:2014-04-01
Release date:2015-04-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and Sialyllactose Binding of the Carboxy-Terminal Head Domain of the Fibre from a Siadenovirus, Turkey Adenovirus 3.
PLoS ONE, 10, 2015
4D63
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BU of 4d63 by Molmil
Structure of the carboxy-terminal domain of the turkey type 3 siadenovirus fibre, avirulent form complexed with 6-sialyllactose.
Descriptor: FIBER KNOB DOMAIN, N-acetyl-alpha-neuraminic acid
Authors:Singh, A.K, van Raaij, M.J.
Deposit date:2014-11-08
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Sialyllactose Binding of the Carboxy-Terminal Head Domain of the Fibre from a Siadenovirus, Turkey Adenovirus 3.
PLoS ONE, 10, 2015
4CUB
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BU of 4cub by Molmil
Unravelling the multiple functions of the architecturally intricate Streptococcus pneumoniae beta-galactosidase, BgaA
Descriptor: 1,2-ETHANEDIOL, BETA-GALACTOSIDASE, CALCIUM ION, ...
Authors:Singh, A.K, Pluvinage, B, Higgins, M.A, Dalia, A.B, Flynn, M, Lloyd, A.R, Weiser, J.N, Stubbs, K.A, Boraston, A.B, King, S.J.
Deposit date:2014-03-17
Release date:2014-08-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa.
Plos Pathog., 10, 2014
4CUA
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BU of 4cua by Molmil
Unravelling the multiple functions of the architecturally intricate Streptococcus pneumoniae beta-galactosidase, BgaA
Descriptor: 1,2-ETHANEDIOL, BETA-GALACTOSIDASE, CALCIUM ION
Authors:Singh, A.K, Pluvinage, B, Higgins, M.A, Dalia, A.B, Flynn, M, Lloyd, A.R, Weiser, J.N, Stubbs, K.A, Boraston, A.B, King, S.J.
Deposit date:2014-03-17
Release date:2014-08-20
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa.
Plos Pathog., 10, 2014
4CUC
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BU of 4cuc by Molmil
Unravelling the multiple functions of the architecturally intricate Streptococcus pneumoniae beta-galactosidase, BgaA.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BETA-GALACTOSIDASE, SULFATE ION, ...
Authors:Singh, A.K, Pluvinage, B, Higgins, M.A, Dalia, A.B, Flynn, M, Lloyd, A.R, Weiser, J.N, Stubbs, K.A, Boraston, A.B, King, S.J.
Deposit date:2014-03-17
Release date:2014-08-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, BgaA.
Plos Pathog., 10, 2014
4D62
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BU of 4d62 by Molmil
Structure of the carboxy-terminal domain of the turkey type 3 siadenovirus fibre, avirulent form complexed with 3-sialyllactose.
Descriptor: FIBER KNOB DOMAIN, N-acetyl-alpha-neuraminic acid
Authors:Singh, A.K, van Raaij, M.J.
Deposit date:2014-11-08
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Sialyllactose Binding of the Carboxy-Terminal Head Domain of the Fibre from a Siadenovirus, Turkey Adenovirus 3.
PLoS ONE, 10, 2015
4CU7
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BU of 4cu7 by Molmil
Unravelling the multiple functions of the architecturally intricate Streptococcus pneumoniae beta-galactosidase, BgaA
Descriptor: 1,2-ETHANEDIOL, BETA-GALACTOSIDASE, D-galacto-isofagomine, ...
Authors:Singh, A.K, Pluvinage, B, Higgins, M.A, Dalia, A.B, Flynn, M, Lloyd, A.R, Weiser, J.N, Stubbs, K.A, Boraston, A.B, King, S.J.
Deposit date:2014-03-17
Release date:2014-08-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, BgaA.
Plos Pathog., 10, 2014
5DBE
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BU of 5dbe by Molmil
Crystal structure of O-acetylserine sulfhydrylase from Haemophilus influenzae in complex with pre-reactive O-acetyl serine, alpha-aminoacrylate reaction intermediate and peptide inhibitor at the resolution of 2.25A
Descriptor: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, C-terminal peptide from Serine acetyltransferase, Cysteine synthase, ...
Authors:Singh, A.K, Kaushik, A, Ekka, M.K, Kumaran, S.
Deposit date:2015-08-21
Release date:2015-09-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure Of O-Acetylserine Sulfhydrylase From Haemophilus Influenzae In Complex With Pre-Reactive O-Acetyl Serine, Alpha-Aminoacrylate Reactionintermediate And Peptide Inhibitor At The Resolution Of 2.25A
To Be Published
4CU6
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BU of 4cu6 by Molmil
Unravelling the multiple functions of the architecturally intricate Streptococcus pneumoniae beta-galactosidase, BgaA
Descriptor: 1,2-ETHANEDIOL, BETA-GALACTOSIDASE, SULFATE ION
Authors:Singh, A.K, Pluvinage, B, Higgins, M.A, Dalia, A.B, Flynn, M, Lloyd, A.R, Weiser, J.N, Stubbs, K.A, Boraston, A.B, King, S.J.
Deposit date:2014-03-17
Release date:2014-08-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa.
Plos Pathog., 10, 2014
4CU8
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BU of 4cu8 by Molmil
Unravelling the multiple functions of the architecturally intricate Streptococcus pneumoniae beta-galactosidase, BgaA
Descriptor: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE 2, ...
Authors:Singh, A.K, Pluvinage, B, Higgins, M.A, Dalia, A.B, Flynn, M, Lloyd, A.R, Weiser, J.N, Stubbs, K.A, Boraston, A.B, King, S.J.
Deposit date:2014-03-17
Release date:2014-08-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, BgaA.
Plos Pathog., 10, 2014
4CU9
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BU of 4cu9 by Molmil
Unravelling the multiple functions of the architecturally intricate Streptococcus pneumoniae beta-galactosidase, BgaA
Descriptor: 1,2-ETHANEDIOL, BETA-GALACTOSIDASE, CALCIUM ION
Authors:Singh, A.K, Pluvinage, B, Higgins, M.A, Dalia, A.B, Flynn, M, Lloyd, A.R, Weiser, J.N, Stubbs, K.A, Boraston, A.B, King, S.J.
Deposit date:2014-03-17
Release date:2014-08-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa.
Plos Pathog., 10, 2014
6DVZ
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BU of 6dvz by Molmil
Cryo-EM structure of mouse TRPV3-Y564A in complex with 2-Aminoethoxydiphenyl borate (2-APB)
Descriptor: 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 3
Authors:Singh, A.K, McGoldrick, L.L, Sobolevsky, A.I.
Deposit date:2018-06-25
Release date:2018-09-05
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.24 Å)
Cite:Structure and gating mechanism of the transient receptor potential channel TRPV3.
Nat. Struct. Mol. Biol., 25, 2018
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
6D7O
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BU of 6d7o by Molmil
Crystal Structure of Rat TRPV6* in complex with 2-Aminoethoxydiphenyl borate (2-APB)
Descriptor: 2-aminoethyl diphenylborinate, 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, CALCIUM ION, ...
Authors:Singh, A.K, Saotome, K, McGoldrick, L.L, Sobolevsky, A.I.
Deposit date:2018-04-25
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Structural bases of TRP channel TRPV6 allosteric modulation by 2-APB.
Nat Commun, 9, 2018
6D7T
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BU of 6d7t by Molmil
Cryo-EM structure of human TRPV6-Y467A in complex with 2-Aminoethoxydiphenyl borate (2-APB)
Descriptor: 2-aminoethyl diphenylborinate, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6
Authors:Singh, A.K, Saotome, K, McGoldrick, L.L, Sobolevsky, A.I.
Deposit date:2018-04-25
Release date:2018-07-18
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.44 Å)
Cite:Structural bases of TRP channel TRPV6 allosteric modulation by 2-APB.
Nat Commun, 9, 2018
6DVW
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BU of 6dvw by Molmil
Cryo-EM structure of mouse TRPV3
Descriptor: Transient receptor potential cation channel subfamily V member 3
Authors:Singh, A.K, McGoldrick, L.L, Sobolevsky, A.I.
Deposit date:2018-06-25
Release date:2018-09-05
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structure and gating mechanism of the transient receptor potential channel TRPV3.
Nat. Struct. Mol. Biol., 25, 2018
6E2G
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BU of 6e2g by Molmil
Cryo-EM structure of rat TRPV6 in complex with Calmodulin
Descriptor: CALCIUM ION, Calmodulin-1, Transient receptor potential cation channel subfamily V member 6
Authors:Singh, A.K, McGoldrick, L.L, Sobolevsky, A.I.
Deposit date:2018-07-11
Release date:2018-08-22
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Mechanism of calmodulin inactivation of the calcium-selective TRP channel TRPV6.
Sci Adv, 4, 2018
6E2F
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BU of 6e2f by Molmil
Cryo-EM structure of human TRPV6 in complex with Calmodulin
Descriptor: CALCIUM ION, Calmodulin-1, Transient receptor potential cation channel subfamily V member 6
Authors:Singh, A.K, McGoldrick, L.L, Sobolevsky, A.I.
Deposit date:2018-07-11
Release date:2018-08-22
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Mechanism of calmodulin inactivation of the calcium-selective TRP channel TRPV6.
Sci Adv, 4, 2018
3GC1
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BU of 3gc1 by Molmil
Crystal structure of bovine lactoperoxidase
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, Sinha, M, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
Deposit date:2009-02-21
Release date:2009-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 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
3GCL
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BU of 3gcl by Molmil
Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid
Descriptor: 2-(ACETYLOXY)BENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Singh, A.K, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2009-02-22
Release date:2009-03-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Binding modes of aromatic ligands to mammalian heme peroxidases with associated functional implications: crystal structures of lactoperoxidase complexes with acetylsalicylic acid, salicylhydroxamic acid, and benzylhydroxamic acid
J.Biol.Chem., 284, 2009
6FRD
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BU of 6frd by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-637
Descriptor: 1-cycloheptyl-3-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-4,4-dimethyl-4,5-dihydro- 1H-pyrazol-5-one, FORMIC ACID, GUANIDINE, ...
Authors:Singh, A.K, Brown, D.G.
Deposit date:2018-02-15
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-637
To be published
3GCJ
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BU of 3gcj by Molmil
Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid
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, Sinha, M, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
Deposit date:2009-02-22
Release date:2009-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid
To be Published
3GCK
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BU of 3gck by Molmil
Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZHYDROXAMIC ACID, CALCIUM ION, ...
Authors:Singh, A.K, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
Deposit date:2009-02-22
Release date:2009-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid
To be Published
6D7P
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BU of 6d7p by Molmil
Crystal Structure of Rat TRPV6*-Y466A
Descriptor: 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6
Authors:Singh, A.K, Saotome, K, McGoldrick, L.L, Sobolevsky, A.I.
Deposit date:2018-04-25
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Structural bases of TRP channel TRPV6 allosteric modulation by 2-APB.
Nat Commun, 9, 2018

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