8W7H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w7h by Molmil](/molmil-images/mine/8w7h) | Purine Nucleoside Phosphorylase in complex with MMV000848 | Descriptor: | (2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | Authors: | Chung, Z, Lin, J.Q, Lescar, J. | Deposit date: | 2023-08-30 | Release date: | 2024-01-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Identification and structural validation of purine nucleoside phosphorylase from Plasmodium falciparum as a target of MMV000848. J.Biol.Chem., 300, 2023
|
|
8HO4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ho4 by Molmil](/molmil-images/mine/8ho4) | Falcilysin in complex with MMV000848 | Descriptor: | (2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol, 1,2-ETHANEDIOL, Falcilysin, ... | Authors: | Lin, J.Q, Chung, Z, Lescar, J. | Deposit date: | 2022-12-09 | Release date: | 2023-12-20 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development. Cell Chem Biol, 31, 2024
|
|
8HO5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ho5 by Molmil](/molmil-images/mine/8ho5) | Falcilysin in complex with MMV665806 | Descriptor: | (2S)-1-(2,3-dimethyl-1H-indol-1-yl)-3-{[(1S,2S)-2-methylcyclohexyl]amino}propan-2-ol, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Lin, J.Q, Chung, Z, Lescar, J. | Deposit date: | 2022-12-09 | Release date: | 2023-12-20 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development. Cell Chem Biol, 31, 2024
|
|
5ITO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ito by Molmil](/molmil-images/mine/5ito) | |
4P0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p0i by Molmil](/molmil-images/mine/4p0i) | Structure of the PBP NocT | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nopaline-binding periplasmic protein | Authors: | Vigouroux, A, Morera, S. | Deposit date: | 2014-02-21 | Release date: | 2014-10-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host. Plos Pathog., 10, 2014
|
|
4POW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pow by Molmil](/molmil-images/mine/4pow) | Structure of the PBP NocT in complex with pyronopaline | Descriptor: | 1,2-ETHANEDIOL, 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline, Nopaline-binding periplasmic protein | Authors: | Morera, S, Vigouroux, A. | Deposit date: | 2014-02-26 | Release date: | 2014-10-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host. Plos Pathog., 10, 2014
|
|
5YVJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yvj by Molmil](/molmil-images/mine/5yvj) | |
4PP0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pp0 by Molmil](/molmil-images/mine/4pp0) | Structure of the PBP NocT-M117N in complex with pyronopaline | Descriptor: | 1,2-ETHANEDIOL, 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline, DI(HYDROXYETHYL)ETHER, ... | Authors: | Morera, S, Vigouroux, A. | Deposit date: | 2014-02-26 | Release date: | 2014-10-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host. Plos Pathog., 10, 2014
|
|
7C31
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c31 by Molmil](/molmil-images/mine/7c31) | Crystal structure of the grapevine defensin VvK1 | Descriptor: | Knot1 domain-containing protein | Authors: | Chen, M.W, Chang, S.C, Chandy, K.G, Luo, D. | Deposit date: | 2020-05-10 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Modulation of Lymphocyte Potassium Channel KV1.3 by Membrane-Penetrating, Joint-Targeting Immunomodulatory Plant Defensin. Acs Pharmacol Transl Sci, 3, 2020
|
|
5YW1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yw1 by Molmil](/molmil-images/mine/5yw1) | |
5YVY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yvy by Molmil](/molmil-images/mine/5yvy) | |
5I3P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i3p by Molmil](/molmil-images/mine/5i3p) | DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 27 | Descriptor: | 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, Genome polyprotein, ZINC ION | Authors: | Noble, C.G. | Deposit date: | 2016-02-10 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling Plos Pathog., 12, 2016
|
|
5I3Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i3q by Molmil](/molmil-images/mine/5i3q) | DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 29 | Descriptor: | 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide, Genome polyprotein, ZINC ION | Authors: | Noble, C.G. | Deposit date: | 2016-02-10 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling Plos Pathog., 12, 2016
|
|
7XXL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xxl by Molmil](/molmil-images/mine/7xxl) | RBD in complex with Fab14 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab14 heavy chain, Fab14 light chain, ... | Authors: | Lin, J.Q, Tan, Y.J.E, Wu, B, Lescar, J. | Deposit date: | 2022-05-30 | Release date: | 2022-09-14 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (7.3 Å) | Cite: | Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth. Nat Commun, 13, 2022
|
|
5K5M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k5m by Molmil](/molmil-images/mine/5k5m) | |
5WS8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ws8 by Molmil](/molmil-images/mine/5ws8) | Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate | Descriptor: | MAGNESIUM ION, OXALATE ION, Pyruvate kinase | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | Deposit date: | 2016-12-06 | Release date: | 2017-11-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis. Nat Commun, 8, 2017
|
|
5WRP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wrp by Molmil](/molmil-images/mine/5wrp) | T-state crystal structure of pyruvate kinase from Mycobacterium tuberculosis | Descriptor: | PHOSPHATE ION, Pyruvate kinase | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | Deposit date: | 2016-12-02 | Release date: | 2017-11-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis. Nat Commun, 8, 2017
|
|
5WSB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wsb by Molmil](/molmil-images/mine/5wsb) | Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, allosteric activators AMP and Glucose 6-Phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | Deposit date: | 2016-12-06 | Release date: | 2017-11-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis. Nat Commun, 8, 2017
|
|
5WSC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wsc by Molmil](/molmil-images/mine/5wsc) | Crystal of pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, soaked with allosteric activators AMP and Glucose 6-Phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | Deposit date: | 2016-12-06 | Release date: | 2017-11-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis. Nat Commun, 8, 2017
|
|
5WSA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wsa by Molmil](/molmil-images/mine/5wsa) | Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate and allosteric activator Glucose 6-Phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, OXALATE ION, ... | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | Deposit date: | 2016-12-06 | Release date: | 2017-11-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis. Nat Commun, 8, 2017
|
|
5WS9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ws9 by Molmil](/molmil-images/mine/5ws9) | Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, ATP and allosteric activator AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | Deposit date: | 2016-12-06 | Release date: | 2017-11-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis. Nat Commun, 8, 2017
|
|
6ID4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6id4 by Molmil](/molmil-images/mine/6id4) | Defining the structural basis for human alloantibody binding to human leukocyte antigen allele HLA-A*11:01 | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Lescar, J, Wong, Y.H, Liew, C.W, Gu, Y, MacAry, P.A. | Deposit date: | 2018-09-08 | Release date: | 2019-02-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Defining the structural basis for human alloantibody binding to human leukocyte antigen allele HLA-A*11:01. Nat Commun, 10, 2019
|
|
6K4F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k4f by Molmil](/molmil-images/mine/6k4f) | SiaC of Pseudomonas aeruginosa | Descriptor: | DUF1987 domain-containing protein | Authors: | Lin, J.Q, Lescar, J. | Deposit date: | 2019-05-23 | Release date: | 2019-06-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.735 Å) | Cite: | The SiaABC threonine phosphorylation pathway controls biofilm formation in response to carbon availability in Pseudomonas aeruginosa. Plos One, 15, 2020
|
|
6K4E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k4e by Molmil](/molmil-images/mine/6k4e) | SiaA-PP2C domain of Pseudomonas aeruginosa | Descriptor: | MAGNESIUM ION, Putative serine phosphatase | Authors: | Lin, J.Q, Lescar, J. | Deposit date: | 2019-05-23 | Release date: | 2019-06-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.094 Å) | Cite: | The SiaABC threonine phosphorylation pathway controls biofilm formation in response to carbon availability in Pseudomonas aeruginosa. Plos One, 15, 2020
|
|
8CHC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8chc by Molmil](/molmil-images/mine/8chc) | PBP AccA from A. vitis S4 in complex with Agrocinopine D-like | Descriptor: | Agrocinopine D-like (C2-C2 linked; with two alpha-D-glucopyranoses), Agrocinopine utilization periplasmic binding protein AccA | Authors: | Morera, S, Vigouroux, A, Deicsics, G. | Deposit date: | 2023-02-07 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.679 Å) | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J., 481, 2024
|
|