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7VQF
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BU of 7vqf by Molmil
Phenol binding protein, MopR
分子名称: ACETATE ION, PHENOL, Phenol sensing regulator, ...
著者Singh, J, Ray, S, Anand, R.
登録日2021-10-19
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Phenol sensing in nature is modulated via a conformational switch governed by dynamic allostery.
J.Biol.Chem., 298, 2022
7ENU
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BU of 7enu by Molmil
Crystal structure of iron-saturated C-terminal half of lactoferrin produced proteolytically using pepsin at 2.32A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ...
著者Singh, J, Maurya, A, Viswanathan, V, Singh, P.K, Sharma, P, Sharma, S, Singh, T.P.
登録日2021-04-19
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.322 Å)
主引用文献Crystal structure of iron-saturated C-terminal half of lactoferrin produced proteolytically using pepsin at 2.32A resolution
To Be Published
7EV0
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BU of 7ev0 by Molmil
Crystal structure of pepsin cleaved C-terminal half of lactoferrin at 2.7A resolution
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, CARBONATE ION, ...
著者Singh, J, Ahmad, M.I, Maurya, A, Sharma, P, Sharma, S, Singh, T.P.
登録日2021-05-19
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of pepsin cleaved C-terminal half of lactoferrin at 2.7A resolution
To Be Published
7C3T
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BU of 7c3t by Molmil
Crystal structure of NE0047 (N66Q) mutant in complex with 8-azaguanine
分子名称: 5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL, Cytidine and deoxycytidylate deaminase zinc-binding region, ZINC ION
著者Gaded, V, Bitra, A, Singh, J, Anand, R.
登録日2020-05-14
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure guided mutagenesis reveals the substrate determinants of guanine deaminase.
J.Struct.Biol., 213, 2021
7C3U
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BU of 7c3u by Molmil
Crystal structure of NE0047 (N66A) mutant in complex with 8-azaguanine
分子名称: 1,2-ETHANEDIOL, 5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL, Cytidine and deoxycytidylate deaminase zinc-binding region, ...
著者Gaded, V, Bitra, A, Singh, J, Anand, R.
登録日2020-05-14
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure guided mutagenesis reveals the substrate determinants of guanine deaminase.
J.Struct.Biol., 213, 2021
7C3S
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BU of 7c3s by Molmil
Crystal structure of NE0047 (E143D) mutant in complex with 8-azaguanine
分子名称: 1,2-ETHANEDIOL, 5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL, Cytidine and deoxycytidylate deaminase zinc-binding region, ...
著者Gaded, V, Bitra, A, Singh, J, Anand, R.
登録日2020-05-14
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structure guided mutagenesis reveals the substrate determinants of guanine deaminase.
J.Struct.Biol., 213, 2021
7V2Q
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BU of 7v2q by Molmil
T.thermophilus 30S ribosome with KsgA, class K6
分子名称: 16s ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Raina, R, Singh, J, Anand, R, Vinothkumar, K.R.
登録日2021-08-09
公開日2022-04-06
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Decoding the Mechanism of Specific RNA Targeting by Ribosomal Methyltransferases.
Acs Chem.Biol., 17, 2022
7V2N
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BU of 7v2n by Molmil
T.thermophilus 30S ribosome with KsgA, class K2
分子名称: 16s ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Raina, R, Singh, J, Anand, R, Vinothkumar, K.R.
登録日2021-08-09
公開日2022-04-06
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Decoding the Mechanism of Specific RNA Targeting by Ribosomal Methyltransferases.
Acs Chem.Biol., 17, 2022
7V2M
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BU of 7v2m by Molmil
T.thermophilus 30S ribosome with KsgA, class K1k4
分子名称: 16s ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Raina, R, Singh, J, Anand, R, Vinothkumar, K.R.
登録日2021-08-09
公開日2022-04-06
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Decoding the Mechanism of Specific RNA Targeting by Ribosomal Methyltransferases.
Acs Chem.Biol., 17, 2022
7V2O
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BU of 7v2o by Molmil
T.thermophilus 30S ribosome with KsgA, class K4
分子名称: 16s ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Raina, R, Singh, J, Anand, R, Vinothkumar, K.R.
登録日2021-08-09
公開日2022-04-06
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Decoding the Mechanism of Specific RNA Targeting by Ribosomal Methyltransferases.
Acs Chem.Biol., 17, 2022
7V2L
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BU of 7v2l by Molmil
T.thermophilus 30S ribosome with KsgA, class K1k2
分子名称: 16s ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Raina, R, Singh, J, Anand, R, Vinothkumar, K.R.
登録日2021-08-09
公開日2022-04-06
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Decoding the Mechanism of Specific RNA Targeting by Ribosomal Methyltransferases.
Acs Chem.Biol., 17, 2022
7V2P
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BU of 7v2p by Molmil
T.thermophilus 30S ribosome with KsgA, class K5
分子名称: 16s ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Raina, R, Singh, J, Anand, R, Vinothkumar, K.R.
登録日2021-08-09
公開日2022-04-06
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Decoding the Mechanism of Specific RNA Targeting by Ribosomal Methyltransferases.
Acs Chem.Biol., 17, 2022
7FDW
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BU of 7fdw by Molmil
Crystal structure of pepsin cleaved lactoferrin C-lobe at 2.28 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ...
著者Singh, P.K, Singh, J, Maurya, A, Sharma, P, Sharma, S, Singh, T.P.
登録日2021-07-18
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.277 Å)
主引用文献A Peptide Bond from the Inter-lobe Segment in the Bilobal Lactoferrin Acts as a Preferred Site for Cleavage for Serine Proteases to Generate the Perfect C-lobe: Structure of the Pepsin Hydrolyzed Lactoferrin C-lobe at 2.28 angstrom Resolution.
Protein J., 40, 2021
3ZIM
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BU of 3zim by Molmil
Discovery of a potent and isoform-selective targeted covalent inhibitor of the lipid kinase PI3Kalpha
分子名称: 1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4- dione, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT ALPHA ISOFORM
著者Nacht, M, Qiao, L, Sheets, M.P, Martin, T.S, Labenski, M, Mazdiyasni, H, Karp, R, Zhu, Z, Chaturvedi, P, Bhavsar, D, Niu, D, Westlin, W, Petter, R.C, Medikonda, A.P, Jestel, A, Blaesse, M, Singh, J.
登録日2013-01-09
公開日2013-02-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Discovery of a Potent and Isoform-Selective Targeted Covalent Inhibitor of the Lipid Kinase Pi3Kalpha
J.Med.Chem., 56, 2013
3OD7
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BU of 3od7 by Molmil
Haemophilus influenzae ferric binding protein A -Iron Loaded
分子名称: FE (III) ION, Iron-utilization periplasmic protein, PHOSPHATE ION
著者Khambati, H.K, Moraes, T.F, Singh, J, Shouldice, S.R, Yu, R.H, Schryvers, A.B.
登録日2010-08-11
公開日2010-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献The role of vicinal tyrosine residues in the function of Haemophilus influenzae ferric binding protein A.
Biochem.J., 2010
3ODB
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BU of 3odb by Molmil
Haemophilus influenzae ferric binding protein A -Iron Loaded -open Conformation
分子名称: FE (III) ION, Iron-utilization periplasmic protein
著者Khambati, H.K, Moraes, T.F, Singh, J, Shouldice, S.R, Yu, R.H, Schryvers, A.B.
登録日2010-08-11
公開日2010-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献The role of vicinal tyrosine residues in the function of Haemophilus influenzae ferric binding protein A.
Biochem.J., 2010
3OYP
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BU of 3oyp by Molmil
HCV NS3/4A in complex with ligand 3
分子名称: Non-structural protein 4A, Peptidomimetic inhibitor, Serine protease NS3, ...
著者Hagel, M, Niu, D, St.Martin, T, Sheets, M.P, Qiao, L, Bernard, H, Karp, R.M, Zhu, Z, Labenski, M.T, Chaturvedi, P.C, Nacht, M, Westlin, W.F, Petter, R.C, Singh, J.
登録日2010-09-23
公開日2010-12-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Selective irreversible inhibition of a protease by targeting a noncatalytic cysteine.
Nat.Chem.Biol., 7, 2011
7EQU
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BU of 7equ by Molmil
Crystal structure of the C-lobe of lactoferrin produced by limited proteolysis using pepsin at 2.74A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, FE (III) ION, ...
著者Maurya, A, Singh, J, Sharma, A, Sharma, P, Sharma, S, Singh, T.P.
登録日2021-05-04
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.743 Å)
主引用文献Crystal structure of the C-lobe of lactoferrin produced by limited proteolysis using pepsin at 2.74A resolution
To Be Published
7EVQ
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BU of 7evq by Molmil
Crystal structure of C-terminal half of lactoferrin obtained by limited proteolysis using pepsin at 2.6 A resolution
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, ...
著者Viswanathan, V, Singh, J, Sharma, P, Sharma, S, Singh, T.P.
登録日2021-05-21
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of C-terminal half of lactoferrin obtained by limited proteolysis using pepsin at 2.6 A resolution
To Be Published
3BLA
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BU of 3bla by Molmil
Synthetic Gene Encoded DcpS bound to inhibitor DG153249
分子名称: 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine, Scavenger mRNA-decapping enzyme DcpS
著者Staker, B.L, Christensen, J, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
登録日2007-12-10
公開日2008-10-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献DcpS as a therapeutic target for spinal muscular atrophy.
Acs Chem.Biol., 3, 2008
3BL9
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BU of 3bl9 by Molmil
Synthetic Gene Encoded DcpS bound to inhibitor DG157493
分子名称: 5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine, Scavenger mRNA-decapping enzyme DcpS
著者Staker, B.L, Christensen, J, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
登録日2007-12-10
公開日2008-10-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献DcpS as a therapeutic target for spinal muscular atrophy.
Acs Chem.Biol., 3, 2008
3BL7
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BU of 3bl7 by Molmil
Synthetic Gene Encoded DcpS bound to inhibitor DG156844
分子名称: 5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine, Scavenger mRNA-decapping enzyme DcpS
著者Staker, B.L, Christensen, J, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
登録日2007-12-10
公開日2008-10-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献DcpS as a therapeutic target for spinal muscular atrophy.
Acs Chem.Biol., 3, 2008
7Z0Y
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BU of 7z0y by Molmil
THSC20.HVTR04 Fab bound to SARS-CoV-2 Receptor Binding Domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Spike protein S1, ...
著者Wibmer, C.K.
登録日2022-02-23
公開日2022-04-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant.
Plos Pathog., 18, 2022
7Z0X
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BU of 7z0x by Molmil
THSC20.HVTR26 Fab bound to SARS-CoV-2 Receptor Binding Domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Spike protein S1, ...
著者Wibmer, C.K.
登録日2022-02-23
公開日2022-04-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant.
Plos Pathog., 18, 2022
7WVL
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BU of 7wvl by Molmil
Structure of P4A2 Fab in complex with Spike-RBD from SARS-CoV-2
分子名称: P4A2 Fab Light Chain, P4A2 Fab heavy chain, Spike protein S1
著者Narayanan, N, Nair, D.T.
登録日2022-02-10
公開日2022-12-07
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A broadly neutralizing monoclonal antibody overcomes the mutational landscape of emerging SARS-CoV-2 variants of concern.
Plos Pathog., 18, 2022

 

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