1TFM
 
 | | CRYSTAL STRUCTURE OF A RIBOSOME INACTIVATING PROTEIN IN ITS NATURALLY INHIBITED FORM | | Descriptor: | 2-AMINO-4-ISOPROPYL-PTERIDINE-6-CARBOXYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Mishra, V, Bilgrami, S, Paramasivam, M, Yadav, S, Sharma, R.S, Kaur, P, Srinivasan, A, Babu, C.R, Singh, T.P. | | Deposit date: | 2004-05-27 | | Release date: | 2004-07-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | CRYSTAL STRUCTURE OF A RIBOSOME INACTIVATING PROTEIN IN ITS NATURALLY INHIBITED FORM
To be Published
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1YF8
 | | Crystal structure of Himalayan mistletoe RIP reveals the presence of a natural inhibitor and a new functionally active sugar-binding site | | Descriptor: | 2-AMINO-4-ISOPROPYL-PTERIDINE-6-CARBOXYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Mishra, V, Bilgrami, S, Sharma, R.S, Kaur, P, Yadav, S, Betzel, C, Babu, C.R, Singh, T.P. | | Deposit date: | 2004-12-31 | | Release date: | 2005-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of himalayan mistletoe ribosome-inactivating protein reveals the presence of a natural inhibitor and a new functionally active sugar-binding site.
J.Biol.Chem., 280, 2005
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7VE0
 | | Crystal Structure of Ritonavir bound Plasmepsin II (PMII) from Plasmodium falciparum | | Descriptor: | 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ... | | Authors: | Mishra, V, Rathore, I, Bhaumik, P. | | Deposit date: | 2021-09-07 | | Release date: | 2023-02-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery.
Curr Res Struct Biol, 7, 2024
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7VE2
 | | Crystal Structure of Lopinavir bound Plasmepsin II (PMII) from Plasmodium falciparum | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, Plasmepsin II | | Authors: | Mishra, V, Rathore, I, Bhaumik, P. | | Deposit date: | 2021-09-07 | | Release date: | 2023-02-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery.
Curr Res Struct Biol, 7, 2024
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1PC8
 | | Crystal Structure of a novel form of mistletoe lectin from Himalayan Viscum album L. at 3.8A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Himalayan mistletoe ribosome-inactivating protein, ... | | Authors: | Mishra, V, Ethayathulla, A.S, Paramasivam, M, Singh, G, Yadav, S, Kaur, P, Sharma, R.S, Babu, C.R, Singh, T.P. | | Deposit date: | 2003-05-16 | | Release date: | 2004-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structure of a novel ribosome-inactivating protein from a hemi-parasitic plant inhabiting the northwestern Himalayas.
Acta Crystallogr.,Sect.D, 60, 2004
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5YIE
 | | Crystal Structure of KNI-10742 bound Plasmepsin II (PMII) from Plasmodium falciparum | | Descriptor: | (4R)-3-[(2S,3S)-3-[2-[4-[2-azanylethyl(ethyl)amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ... | | Authors: | Mishra, V, Rathore, I, Bhaumik, P. | | Deposit date: | 2017-10-04 | | Release date: | 2018-07-11 | | Last modified: | 2019-05-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
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5YIC
 | | Crystal Structure of KNI-10333 bound Plasmepsin II (PMII) from Plasmodium falciparum | | Descriptor: | (4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-aminophenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, GLYCEROL, ... | | Authors: | Mishra, V, Rathore, I, Bhaumik, P. | | Deposit date: | 2017-10-03 | | Release date: | 2018-07-11 | | Last modified: | 2019-05-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
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5YID
 | | Crystal Structure of KNI-10395 bound Plasmepsin II (PMII) from Plasmodium falciparum | | Descriptor: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ... | | Authors: | Mishra, V, Rathore, I, Bhaumik, P. | | Deposit date: | 2017-10-04 | | Release date: | 2018-07-11 | | Last modified: | 2019-05-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
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4OY3
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4OJT
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5YIA
 | | Crystal Structure of KNI-10343 bound Plasmepsin II (PMII) from Plasmodium falciparum | | Descriptor: | (4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, GLYCEROL, ... | | Authors: | Rathore, I, Mishra, V, Bhaumik, P. | | Deposit date: | 2017-10-03 | | Release date: | 2018-07-11 | | Last modified: | 2019-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
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5YIB
 | | Crystal Structure of KNI-10743 bound Plasmepsin II (PMII) from Plasmodium falciparum | | Descriptor: | (4R)-3-[(2S,3S)-3-[2-[4-[2-(dimethylamino)ethyl-methyl-amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ... | | Authors: | Rathore, I, Mishra, V, Bhaumik, P. | | Deposit date: | 2017-10-03 | | Release date: | 2018-07-11 | | Last modified: | 2019-05-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
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4P54
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7VGE
 | | Structure of the PDZ deleted variant of HtrA2 protease (S306A) | | Descriptor: | Serine protease HTRA2, mitochondrial | | Authors: | Parui, A.L, Mishra, V, Bhaumik, P, Bose, K. | | Deposit date: | 2021-09-15 | | Release date: | 2022-06-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Inter-subunit crosstalk via PDZ synergistically governs allosteric activation of proapoptotic HtrA2.
Structure, 30, 2022
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6KUC
 | | Crystal structure of Plasmodium falciparum histo-aspartic protease (HAP) zymogen (Form 2) | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, HAP protein | | Authors: | Rathore, I, Mishra, V, Bhaumik, P. | | Deposit date: | 2019-08-31 | | Release date: | 2020-05-27 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Activation mechanism of plasmepsins, pepsin-like aspartic proteases from Plasmodium, follows a unique trans-activation pathway.
Febs J., 288, 2021
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6KUD
 | | Crystal structure of Plasmodium falciparum histo-aspartic protease (HAP) zymogen (Form 3) | | Descriptor: | GLYCEROL, HAP protein | | Authors: | Rathore, I, Mishra, V, Bhaumik, P. | | Deposit date: | 2019-08-31 | | Release date: | 2020-05-27 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Activation mechanism of plasmepsins, pepsin-like aspartic proteases from Plasmodium, follows a unique trans-activation pathway.
Febs J., 288, 2021
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6KUB
 | | Crystal structure of Plasmodium falciparum histo-aspartic protease (HAP) zymogen (Form 1) | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, HAP protein | | Authors: | Rathore, I, Mishra, V, Bhaumik, P. | | Deposit date: | 2019-08-31 | | Release date: | 2020-05-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Activation mechanism of plasmepsins, pepsin-like aspartic proteases from Plasmodium, follows a unique trans-activation pathway.
Febs J., 288, 2021
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7RMD
 | | Crystal structure of the first bromodomain of human BRD4 in complex with SJ001011461-1 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(6S,10R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide, Bromodomain-containing protein 4 | | Authors: | Stachowski, T.R, Fischer, M. | | Deposit date: | 2021-07-27 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors.
Eur.J.Med.Chem., 251, 2023
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7RN2
 | | Crystal structure of the first bromodomain of human BRD4 in complex with SJ001010551-2 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(6S,10S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide, Bromodomain-containing protein 4 | | Authors: | Stachowski, T.R, Fischer, M. | | Deposit date: | 2021-07-28 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors.
Eur.J.Med.Chem., 251, 2023
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5KB3
 | | 1.4 A resolution structure of Helicobacter Pylori MTAN in complexed with p-ClPh-DADMe-ImmA | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, MAGNESIUM ION | | Authors: | Banco, M.T, Ronning, D.R. | | Deposit date: | 2016-06-02 | | Release date: | 2016-11-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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8S9K
 | | Structure of dimeric FAM111A SPD S541A Mutant | | Descriptor: | GLYCEROL, Serine protease FAM111A | | Authors: | Palani, S, Alvey, J.A, Cong, A.T.Q, Schellenberg, M.J, Machida, Y. | | Deposit date: | 2023-03-29 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Dimerization-dependent serine protease activity of FAM111A prevents replication fork stalling at topoisomerase 1 cleavage complexes.
Nat Commun, 15, 2024
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5K1Z
 | | Joint X-ray/neutron structure of MTAN complex with p-ClPh-Thio-DADMe-ImmA | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase | | Authors: | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | | Deposit date: | 2016-05-18 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | NEUTRON DIFFRACTION (2.6 Å), X-RAY DIFFRACTION | | Cite: | Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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7ROZ
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7RQS
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7RY7
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