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7N88
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BU of 7n88 by Molmil
The cryoEM structure of LbpB from N. gonorrhoeae in complex with lactoferrin
Descriptor: BICARBONATE ION, FE (III) ION, Lactoferrin-binding protein B, ...
Authors:Yadav, R, Noinaj, N.
Deposit date:2021-06-14
Release date:2021-12-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insight into the dual function of LbpB in mediating Neisserial pathogenesis.
Elife, 10, 2021
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
Descriptor: BICARBONATE ION, FE (III) ION, Lactoferrin-binding protein B, ...
Authors:Yadav, R, Noinaj, N.
Deposit date:2020-08-12
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural insight into the dual function of LbpB in mediating Neisserial pathogenesis.
Elife, 10, 2021
7SS1
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BU of 7ss1 by Molmil
The structure of NTMT1 in complex with compound GD433
Descriptor: (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
Authors:Yadav, R, Guangping, D, Deng, Y, Huang, R, Noinaj, N.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a first-in-class small molecule inhibitor for Protein N-terminal methyltransferases 1/2
To Be Published
2LGJ
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BU of 2lgj by Molmil
Solution structure of MsPTH
Descriptor: Peptidyl-tRNA hydrolase
Authors:Yadav, R, Pathak, P, Pulavarti, S, Jain, A, Kumar, A, Shukla, V, Arora, A.
Deposit date:2011-07-27
Release date:2012-08-01
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of Peptidyl t-RNA hydrolase from Mycobacterium smegmatis
To be Published
7KWI
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BU of 7kwi by Molmil
Solution Structure of the R2ab Repeat Domain from Staph. epidermidis Autolysin (AtlE)
Descriptor: Bifunctional autolysin
Authors:Yadav, R, Perera, Y.R, Fitzkee, N.C.
Deposit date:2020-12-01
Release date:2021-12-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution Structure of the R2ab Repeat Domain from Staph. epidermidis Autolysin (AtlE)
To Be Published
7RKL
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BU of 7rkl by Molmil
Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with II399 (P1 space group)
Descriptor: 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
Authors:Yadav, R, Noinaj, N, Iyamu, I.D, Huang, R.
Deposit date:2021-07-22
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite: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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BU of 7rkk by Molmil
Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with II399 (C2 space group)
Descriptor: 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
Authors:Yadav, R, Noinaj, N, Iyamu, I.D, Huang, R.
Deposit date:2021-07-22
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.76 Å)
Cite: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
Descriptor: (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
Authors:Yadav, R, Iyamu, I.D, Huang, R, Noinaj, N.
Deposit date:2021-10-31
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with inhibitor II329
To Be Published
2L72
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BU of 2l72 by Molmil
Solution structure and dynamics of ADF from Toxoplasma gondii (TgADF)
Descriptor: Actin depolymerizing factor, putative
Authors:Pathak, P.P, Shukla, V.K, Yadav, R, Jain, A, Srivastava, S, Tripathi, S, Pulavarti, S.V.S.R.K, Arora, A.
Deposit date:2010-12-01
Release date:2011-08-17
Last modified:2011-12-28
Method:SOLUTION NMR
Cite:Solution structure and dynamics of ADF from Toxoplasma gondii
J.Struct.Biol., 176, 2011
2NAF
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BU of 2naf by Molmil
Solution structure of peptidyl-tRNA hydrolase from Mycobacterium smegmatis
Descriptor: Peptidyl-tRNA hydrolase
Authors:Yadav, R, Pathak, P, Fatma, F, Kabra, A, Pulavarti, S, Jain, A, Kumar, A, Shukla, V, Arora, A.
Deposit date:2015-12-23
Release date:2017-01-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural characterization of peptidyl-tRNA hydrolase from Mycobacterium smegmatis by NMR spectroscopy.
Biochim.Biophys.Acta, 1864, 2016
7U1M
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BU of 7u1m by Molmil
Crystal structure of NTMT1 in complex with compound YD206
Descriptor: (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
Authors:Yadav, R, Noinaj, N.
Deposit date:2022-02-21
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Venglustat Inhibits Protein N-Terminal Methyltransferase 1 in a Substrate-Competitive Manner.
J.Med.Chem., 65, 2022
6PVS
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BU of 6pvs by Molmil
Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with inhibitor LL320
Descriptor: 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
Authors:Noinaj, N, Huang, R, Chen, D, Yadav, R.
Deposit date:2019-07-21
Release date:2019-11-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.575 Å)
Cite: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
Descriptor: 9-(5-{[(3S)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-D-ribofuranosyl)-9H-purin-6-amine, NNMT protein
Authors:Noinaj, N, Huang, R, Chen, D, Yadav, R.
Deposit date:2019-07-20
Release date:2019-11-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel Propargyl-Linked Bisubstrate Analogues as Tight-Binding Inhibitors for NicotinamideN-Methyltransferase.
J.Med.Chem., 62, 2019
3KJZ
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BU of 3kjz by Molmil
Crystal structure of native peptidyl-tRNA hydrolase from Mycobacterium smegmatis
Descriptor: Peptidyl-tRNA hydrolase
Authors:Kumar, A, Singh, N, Yadav, R, Prem Kumar, R, Sharma, S, Arora, A, Singh, T.P.
Deposit date:2009-11-04
Release date:2010-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of peptidyl-tRNA hydrolase from mycobacterium smegmatis reveals novel features related to enzyme dynamics.
Int J Biochem Mol Biol, 3, 2012
4ZXP
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BU of 4zxp by Molmil
Crystal structure of Peptidyl- tRNA Hydrolase from Vibrio cholerae
Descriptor: CITRATE ANION, Peptidyl-tRNA hydrolase
Authors:Shahid, S, Pal, R.K, Kabra, A, Yadav, R, Kumar, A, Arora, A.
Deposit date:2015-05-20
Release date:2016-06-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Unraveling the stereochemical and dynamic aspects of the catalytic site of bacterial peptidyl-tRNA hydrolase.
RNA, 23, 2017
3KK0
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BU of 3kk0 by Molmil
Crystal structure of partially folded intermediate state of peptidyl-tRNA hydrolase from Mycobacterium smegmatis
Descriptor: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Kumar, A, Singh, N, Yadav, R, Sharma, S, Arora, A, Singh, T.P.
Deposit date:2009-11-04
Release date:2010-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structures of Fully-Folded Native and Partially-Folded Intermediate States of Peptidyl-tRNA Hydrolase from Mycobacterium smegmatis
To be Published
8I95
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BU of 8i95 by Molmil
Structure of EP54-C3aR-Go complex
Descriptor: Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, EP54 ligand, ...
Authors:Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C.
Deposit date:2023-02-06
Release date:2023-10-18
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite: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)
Descriptor: Antibody fragment - ScFv16, C3a anaphylatoxin, C3a anaphylatoxin chemotactic receptor, ...
Authors:Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C.
Deposit date:2023-02-07
Release date:2023-10-18
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite: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)
Descriptor: Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C.
Deposit date:2023-02-06
Release date:2023-10-18
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite: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)
Descriptor: Antibody fragment - ScFv16, C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, ...
Authors:Yadav, M.K, Yadav, R, Maharana, J, Banerjee, R, Shukla, A.K, Gati, C.
Deposit date:2023-02-07
Release date:2023-10-18
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite: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)
Descriptor: Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C.
Deposit date:2023-02-07
Release date:2023-10-18
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite: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
Descriptor: Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, EP54 ligand, ...
Authors:Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C.
Deposit date:2023-02-06
Release date:2023-10-18
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite: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
Descriptor: Antibody fragment - ScFv16, C3a anaphylatoxin chemotactic receptor, EP141 peptide agonist, ...
Authors:Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C.
Deposit date:2023-04-25
Release date:2023-10-18
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
8JZZ
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BU of 8jzz by Molmil
Structure of human C5a-desArg bound human C5aR1 in complex with Go
Descriptor: Antibody fragment ScFv16, C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, ...
Authors:Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C.
Deposit date:2023-07-06
Release date:2023-10-18
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
3P2J
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BU of 3p2j by Molmil
Crystal structure of peptidyl-tRNA hydrolase from Mycobacterium smegmatis at 2.2 A resolution
Descriptor: Peptidyl-tRNA hydrolase
Authors:Kumar, A, Singh, A, Yadav, R, Sinha, M, Arora, A, Sharma, S, Singh, T.P.
Deposit date:2010-10-02
Release date:2010-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal Structure of peptidyl-tRNA hydrolase from Mycobacterium smegmatis at 2.2 A resolution
To be Published

 

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