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PDB: 44 件

7KWI
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Solution Structure of the R2ab Repeat Domain from Staph. epidermidis Autolysin (AtlE)
分子名称: Bifunctional autolysin
著者Yadav, R, Perera, Y.R, Fitzkee, N.C.
登録日2020-12-01
公開日2021-12-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure of the R2ab Repeat Domain from Staph. epidermidis Autolysin (AtlE)
To Be Published
7N88
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BU of 7n88 by Molmil
The cryoEM structure of LbpB from N. gonorrhoeae in complex with lactoferrin
分子名称: BICARBONATE ION, FE (III) ION, Lactoferrin-binding protein B, ...
著者Yadav, R, Noinaj, N.
登録日2021-06-14
公開日2021-12-01
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural insight into the dual function of LbpB in mediating Neisserial pathogenesis.
Elife, 10, 2021
7RKL
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BU of 7rkl by Molmil
Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with II399 (P1 space group)
分子名称: 3-[3-(acetyl{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)prop-1-yn-1-yl]benzamide, NNMT protein, SULFATE ION
著者Yadav, R, Noinaj, N, Iyamu, I.D, Huang, R.
登録日2021-07-22
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Exploring Unconventional SAM Analogues To Build Cell-Potent Bisubstrate Inhibitors for Nicotinamide N-Methyltransferase.
Angew.Chem.Int.Ed.Engl., 61, 2022
7RKK
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Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with II399 (C2 space group)
分子名称: 3-[3-(acetyl{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)prop-1-yn-1-yl]benzamide, NNMT protein
著者Yadav, R, Noinaj, N, Iyamu, I.D, Huang, R.
登録日2021-07-22
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Exploring Unconventional SAM Analogues To Build Cell-Potent Bisubstrate Inhibitors for Nicotinamide N-Methyltransferase.
Angew.Chem.Int.Ed.Engl., 61, 2022
7SOK
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BU of 7sok by Molmil
Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with inhibitor II329
分子名称: (2S)-2-amino-4-([3-(3-carbamoylphenyl)prop-2-yn-1-yl]{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)butanoic acid, DI(HYDROXYETHYL)ETHER, NNMT protein
著者Yadav, R, Iyamu, I.D, Huang, R, Noinaj, N.
登録日2021-10-31
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with inhibitor II329
To Be Published
7SS1
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BU of 7ss1 by Molmil
The structure of NTMT1 in complex with compound GD433
分子名称: (1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluoro-3-hydroxyphenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate, N-terminal Xaa-Pro-Lys N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE
著者Yadav, R, Guangping, D, Deng, Y, Huang, R, Noinaj, N.
登録日2021-11-09
公開日2022-11-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a first-in-class small molecule inhibitor for Protein N-terminal methyltransferases 1/2
To Be Published
7U1M
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BU of 7u1m by Molmil
Crystal structure of NTMT1 in complex with compound YD206
分子名称: (1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate, N-terminal Xaa-Pro-Lys N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE
著者Yadav, R, Noinaj, N.
登録日2022-02-21
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Venglustat Inhibits Protein N-Terminal Methyltransferase 1 in a Substrate-Competitive Manner.
J.Med.Chem., 65, 2022
2NAF
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BU of 2naf by Molmil
Solution structure of peptidyl-tRNA hydrolase from Mycobacterium smegmatis
分子名称: Peptidyl-tRNA hydrolase
著者Yadav, R, Pathak, P, Fatma, F, Kabra, A, Pulavarti, S, Jain, A, Kumar, A, Shukla, V, Arora, A.
登録日2015-12-23
公開日2017-01-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural characterization of peptidyl-tRNA hydrolase from Mycobacterium smegmatis by NMR spectroscopy.
Biochim.Biophys.Acta, 1864, 2016
2LGJ
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BU of 2lgj by Molmil
Solution structure of MsPTH
分子名称: Peptidyl-tRNA hydrolase
著者Yadav, R, Pathak, P, Pulavarti, S, Jain, A, Kumar, A, Shukla, V, Arora, A.
登録日2011-07-27
公開日2012-08-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure and backbone dynamics of Peptidyl t-RNA hydrolase from Mycobacterium smegmatis
To be Published
7JRD
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BU of 7jrd by Molmil
The crystal structure of lactoferrin binding protein B (LbpB) from Neisseria meningitidis in complex with human lactoferrin
分子名称: BICARBONATE ION, FE (III) ION, Lactoferrin-binding protein B, ...
著者Yadav, R, Noinaj, N.
登録日2020-08-12
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural insight into the dual function of LbpB in mediating Neisserial pathogenesis.
Elife, 10, 2021
8JZZ
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BU of 8jzz by Molmil
Structure of human C5a-desArg bound human C5aR1 in complex with Go
分子名称: Antibody fragment ScFv16, C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, ...
著者Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C.
登録日2023-07-06
公開日2023-10-18
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
8I9L
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BU of 8i9l by Molmil
Structure of C3a-C3aR-Go complex (Composite map)
分子名称: Antibody fragment - ScFv16, C3a anaphylatoxin, C3a anaphylatoxin chemotactic receptor, ...
著者Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C.
登録日2023-02-07
公開日2023-10-18
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
8I95
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BU of 8i95 by Molmil
Structure of EP54-C3aR-Go complex
分子名称: Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, EP54 ligand, ...
著者Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C.
登録日2023-02-06
公開日2023-10-18
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
8I97
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BU of 8i97 by Molmil
Structure of Apo-C3aR-Go complex (Glacios)
分子名称: Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C.
登録日2023-02-06
公開日2023-10-18
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
8I9A
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BU of 8i9a by Molmil
Structure of EP54-C3aR-Gq complex
分子名称: Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, EP54 ligand, ...
著者Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C.
登録日2023-02-06
公開日2023-10-18
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.57 Å)
主引用文献Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
8I9S
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BU of 8i9s by Molmil
Structure of Apo-C3aR-Go complex (Titan)
分子名称: Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C.
登録日2023-02-07
公開日2023-10-18
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
8IA2
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BU of 8ia2 by Molmil
Structure of C5a bound human C5aR1 in complex with Go (Composite map)
分子名称: Antibody fragment - ScFv16, C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, ...
著者Yadav, M.K, Yadav, R, Maharana, J, Banerjee, R, Shukla, A.K, Gati, C.
登録日2023-02-07
公開日2023-10-18
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
8J6D
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BU of 8j6d by Molmil
Structure of EP141-C3aR-Go complex
分子名称: Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, EP141 peptide agonist, ...
著者Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C.
登録日2023-04-25
公開日2023-10-18
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
5XCH
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BU of 5xch by Molmil
Crystal structure of Wild type Vps29 complexed with Zn+2 from Entamoeba histolytica
分子名称: Vacuolar protein sorting-associated protein 29, ZINC ION
著者Srivastava, V.K, Yadav, R, Tomar, P, Gourinath, S, Datta, S.
登録日2017-03-22
公開日2017-10-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural and thermodynamic characterization of metal binding in Vps29 from Entamoeba histolytica: implication in retromer function.
Mol. Microbiol., 106, 2017
5XCE
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BU of 5xce by Molmil
Crystal structure of Wild type Vps29 from Entamoeba histolytica
分子名称: Vacuolar protein sorting-associated protein 29
著者Srivastava, V.K, Yadav, R, Tomar, P, Gourinath, S, Datta, S.
登録日2017-03-22
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural and thermodynamic characterization of metal binding in Vps29 from Entamoeba histolytica: implication in retromer function.
Mol. Microbiol., 106, 2017
5JXX
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BU of 5jxx by Molmil
Crystal structure of UDP-N-acetylglucosamine O-acyltransferase (LpxA) from Moraxella catarrhalis RH4.
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CITRATE ANION, GLYCEROL
著者Pratap, S, Kesari, P, Yadav, R, Narwal, M, Dev, A, Kumar, P.
登録日2016-05-13
公開日2017-06-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献Acyl chain preference and inhibitor identification of Moraxella catarrhalis LpxA: Insight through crystal structure and computational studies.
Int. J. Biol. Macromol., 96, 2017
5XCK
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BU of 5xck by Molmil
Crystal structure of Vps29 double mutant (D62A/H86A) from Entamoeba histolytica
分子名称: Vacuolar protein sorting-associated protein 29
著者Srivastava, V.K, Yadav, R, Tomar, P, Gourinath, S, Datta, S.
登録日2017-03-22
公開日2017-10-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and thermodynamic characterization of metal binding in Vps29 from Entamoeba histolytica: implication in retromer function.
Mol. Microbiol., 106, 2017
6PVS
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BU of 6pvs by Molmil
Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with inhibitor LL320
分子名称: 9-(5-{[(3R)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-D-lyxofuranosyl)-9H-purin-6-amine, NNMT protein
著者Noinaj, N, Huang, R, Chen, D, Yadav, R.
登録日2019-07-21
公開日2019-11-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.575 Å)
主引用文献Novel Propargyl-Linked Bisubstrate Analogues as Tight-Binding Inhibitors for NicotinamideN-Methyltransferase.
J.Med.Chem., 62, 2019
6PVE
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BU of 6pve by Molmil
Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with inhibitor LL319
分子名称: 9-(5-{[(3S)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-D-ribofuranosyl)-9H-purin-6-amine, NNMT protein
著者Noinaj, N, Huang, R, Chen, D, Yadav, R.
登録日2019-07-20
公開日2019-11-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel Propargyl-Linked Bisubstrate Analogues as Tight-Binding Inhibitors for NicotinamideN-Methyltransferase.
J.Med.Chem., 62, 2019
3P2J
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BU of 3p2j by Molmil
Crystal structure of peptidyl-tRNA hydrolase from Mycobacterium smegmatis at 2.2 A resolution
分子名称: Peptidyl-tRNA hydrolase
著者Kumar, A, Singh, A, Yadav, R, Sinha, M, Arora, A, Sharma, S, Singh, T.P.
登録日2010-10-02
公開日2010-11-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal Structure of peptidyl-tRNA hydrolase from Mycobacterium smegmatis at 2.2 A resolution
To be Published

 

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