7SOK
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7sok by Molmil](/molmil-images/mine/7sok) | 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
|
|
7SS1
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7ss1 by Molmil](/molmil-images/mine/7ss1) | 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
|
|
7U1M
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7u1m by Molmil](/molmil-images/mine/7u1m) | 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
|
|
7RKK
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7rkk by Molmil](/molmil-images/mine/7rkk) | 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
|
|
7RKL
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7rkl by Molmil](/molmil-images/mine/7rkl) | 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
|
|
7JRD
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7jrd by Molmil](/molmil-images/mine/7jrd) | |
7KWI
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7kwi by Molmil](/molmil-images/mine/7kwi) | |
7N88
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7n88 by Molmil](/molmil-images/mine/7n88) | |
2LGJ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 2lgj by Molmil](/molmil-images/mine/2lgj) | 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 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure and backbone dynamics of Peptidyl t-RNA hydrolase from Mycobacterium smegmatis To be Published
|
|
2NAF
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 2naf by Molmil](/molmil-images/mine/2naf) | 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: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural characterization of peptidyl-tRNA hydrolase from Mycobacterium smegmatis by NMR spectroscopy. Biochim.Biophys.Acta, 1864, 2016
|
|
3KJZ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3kjz by Molmil](/molmil-images/mine/3kjz) | 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
|
|
5XCH
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5xch by Molmil](/molmil-images/mine/5xch) | Crystal structure of Wild type Vps29 complexed with Zn+2 from Entamoeba histolytica | Descriptor: | Vacuolar protein sorting-associated protein 29, ZINC ION | Authors: | Srivastava, V.K, Yadav, R, Tomar, P, Gourinath, S, Datta, S. | Deposit date: | 2017-03-22 | Release date: | 2017-10-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural and thermodynamic characterization of metal binding in Vps29 from Entamoeba histolytica: implication in retromer function. Mol. Microbiol., 106, 2017
|
|
5XCE
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5xce by Molmil](/molmil-images/mine/5xce) | Crystal structure of Wild type Vps29 from Entamoeba histolytica | Descriptor: | Vacuolar protein sorting-associated protein 29 | Authors: | Srivastava, V.K, Yadav, R, Tomar, P, Gourinath, S, Datta, S. | Deposit date: | 2017-03-22 | Release date: | 2017-10-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural and thermodynamic characterization of metal binding in Vps29 from Entamoeba histolytica: implication in retromer function. Mol. Microbiol., 106, 2017
|
|
5XCK
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5xck by Molmil](/molmil-images/mine/5xck) | Crystal structure of Vps29 double mutant (D62A/H86A) from Entamoeba histolytica | Descriptor: | Vacuolar protein sorting-associated protein 29 | Authors: | Srivastava, V.K, Yadav, R, Tomar, P, Gourinath, S, Datta, S. | Deposit date: | 2017-03-22 | Release date: | 2017-10-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and thermodynamic characterization of metal binding in Vps29 from Entamoeba histolytica: implication in retromer function. Mol. Microbiol., 106, 2017
|
|
3KK0
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3kk0 by Molmil](/molmil-images/mine/3kk0) | 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
|
|
6PVS
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6pvs by Molmil](/molmil-images/mine/6pvs) | 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
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6pve by Molmil](/molmil-images/mine/6pve) | 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
|
|
5JXX
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5jxx by Molmil](/molmil-images/mine/5jxx) | Crystal structure of UDP-N-acetylglucosamine O-acyltransferase (LpxA) from Moraxella catarrhalis RH4. | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CITRATE ANION, GLYCEROL | Authors: | Pratap, S, Kesari, P, Yadav, R, Narwal, M, Dev, A, Kumar, P. | Deposit date: | 2016-05-13 | Release date: | 2017-06-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | Acyl chain preference and inhibitor identification of Moraxella catarrhalis LpxA: Insight through crystal structure and computational studies. Int. J. Biol. Macromol., 96, 2017
|
|
8I9A
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8i9a by Molmil](/molmil-images/mine/8i9a) | 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
|
|
8I95
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8i95 by Molmil](/molmil-images/mine/8i95) | 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
|
|
8IA2
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8ia2 by Molmil](/molmil-images/mine/8ia2) | 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
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8i9s by Molmil](/molmil-images/mine/8i9s) | 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
|
|
8I9L
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8i9l by Molmil](/molmil-images/mine/8i9l) | 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
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8i97 by Molmil](/molmil-images/mine/8i97) | 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
|
|
8JZZ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 8jzz by Molmil](/molmil-images/mine/8jzz) | 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
|
|