6NP0
| Cryo-EM structure of 5HT3A receptor in presence of granisetron | Descriptor: | 1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Basak, S, Chakrapani, S. | Deposit date: | 2019-01-17 | Release date: | 2019-07-24 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Molecular mechanism of setron-mediated inhibition of full-length 5-HT3Areceptor. Nat Commun, 10, 2019
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2HFH
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2HVD
| Human nucleoside diphosphate kinase A complexed with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A | Authors: | Giraud, M.-F, Georgescauld, F, Lascu, I, Dautant, A. | Deposit date: | 2006-07-28 | Release date: | 2006-09-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structures of S120G Mutant and Wild Type of Human Nucleoside Diphosphate Kinase A in Complex with ADP J.Bioenerg.Biomembr., 38, 2006
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2HVE
| S120G mutant of human nucleoside diphosphate kinase A complexed with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A | Authors: | Giraud, M.-F, Georgescauld, F, Lascu, I, Dautant, A. | Deposit date: | 2006-07-28 | Release date: | 2006-09-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Crystal Structures of S120G Mutant and Wild Type of Human Nucleoside Diphosphate Kinase A in Complex with ADP J.Bioenerg.Biomembr., 38, 2006
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3KSW
| Crystal structure of sterol 14alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with an inhibitor VNF ((4-(4-chlorophenyl)-N-[2-(1H-imidazol-1-yl)-1-phenylethyl]benzamide) | Descriptor: | 4'-chloro-N-[(1R)-2-(1H-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase | Authors: | Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R. | Deposit date: | 2009-11-23 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi. J.Biol.Chem., 285, 2010
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3SQO
| PCSK9 J16 Fab complex | Descriptor: | J16 Heavy chain, J16 Light chain, PCSK9 prodomain, ... | Authors: | Strop, P. | Deposit date: | 2011-07-05 | Release date: | 2012-05-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Proprotein convertase substilisin/kexin type 9 antagonism reduces low-density lipoprotein cholesterol in statin-treated hypercholesterolemic nonhuman primates. J.Pharmacol.Exp.Ther., 340, 2012
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7KCF
| Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-24512 | Descriptor: | 1,2-ETHANEDIOL, 6-(4-hydroxyphenyl)-5-methyl-2-phenyl-3-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one, GLYCEROL, ... | Authors: | Padyana, A, Jin, L. | Deposit date: | 2020-10-05 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion. J.Med.Chem., 64, 2021
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7KDA
| Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 34 | Descriptor: | 2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Padyana, A, Jin, L. | Deposit date: | 2020-10-08 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion. J.Med.Chem., 64, 2021
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7KDB
| Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 35 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-(4-hydroxyphenyl)-2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one, ... | Authors: | Padyana, A, Jin, L. | Deposit date: | 2020-10-08 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion. J.Med.Chem., 64, 2021
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7KCE
| Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 2 | Descriptor: | 5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one, CHLORIDE ION, S-ADENOSYLMETHIONINE, ... | Authors: | Padyana, A, Jin, L. | Deposit date: | 2020-10-05 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion. J.Med.Chem., 64, 2021
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7KCC
| Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AG-270 | Descriptor: | 1,2-ETHANEDIOL, 3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one, CHLORIDE ION, ... | Authors: | Padyana, A, Jin, L. | Deposit date: | 2020-10-05 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion. J.Med.Chem., 64, 2021
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2W4D
| Acylphosphatase variant G91A from Pyrococcus horikoshii | Descriptor: | ACYLPHOSPHATASE, PHOSPHATE ION, POTASSIUM ION | Authors: | Lam, S.Y, Wong, K.B. | Deposit date: | 2008-11-25 | Release date: | 2009-12-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Rigidifying Salt-Bridge Favors the Activity of Thermophilic Enzyme at High Temperatures at the Expense of Low-Temperature Activity. Plos Biol., 9, 2011
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5T5X
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3K1O
| Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with a potential antichagasic drug, posaconazole | Descriptor: | 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-6-O-{4-[4-(4-{1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenyl}-1-(1H-1,2,4-triazol-1-yl)-D-erythro-hexitol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14 alpha-demethylase | Authors: | Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R. | Deposit date: | 2009-09-28 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi. J.Biol.Chem., 285, 2010
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3IOV
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3GIJ
| Dpo4 extension ternary complex with oxoG(syn)-A(anti) and oxoG(anti)-A(syn) pairs | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*AP*AP*CP*(8OG)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*C)-3', 5'-D(*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(2DA))-3', ... | Authors: | Rechkoblit, O, Malinina, L, Patel, D.J. | Deposit date: | 2009-03-05 | Release date: | 2009-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Impact of conformational heterogeneity of OxoG lesions and their pairing partners on bypass fidelity by Y family polymerases. Structure, 17, 2009
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3GII
| Dpo4 extension ternary complex with disordered A opposite an oxoG in anti conformation | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*AP*AP*CP*(8OG)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3', 5'-D(*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(2DA))-3', ... | Authors: | Rechkoblit, O, Malinina, L, Patel, D.J. | Deposit date: | 2009-03-05 | Release date: | 2009-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Impact of conformational heterogeneity of OxoG lesions and their pairing partners on bypass fidelity by Y family polymerases. Structure, 17, 2009
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3GIL
| Dpo4 extension ternary complex with oxoG(anti)-T(anti) pair | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*AP*AP*CP*(8OG)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*C)-3', 5'-D(*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(2DT))-3', ... | Authors: | Rechkoblit, O, Malinina, L, Patel, D.J. | Deposit date: | 2009-03-05 | Release date: | 2009-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Impact of conformational heterogeneity of OxoG lesions and their pairing partners on bypass fidelity by Y family polymerases. Structure, 17, 2009
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3GIK
| Dpo4 extension ternary complex with the oxoG(anti)-C(anti) pair | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*AP*AP*CP*(8OG)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*C)-3', 5'-D(*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(DOC))-3', ... | Authors: | Rechkoblit, O, Malinina, L, Patel, D.J. | Deposit date: | 2009-03-05 | Release date: | 2009-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Impact of conformational heterogeneity of OxoG lesions and their pairing partners on bypass fidelity by Y family polymerases. Structure, 17, 2009
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2F2L
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3KHM
| Crystal structure of sterol 14alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with inhibitor fluconazole | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14 alpha-demethylase | Authors: | Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R. | Deposit date: | 2009-10-30 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi. J.Biol.Chem., 285, 2010
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3IOU
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3IOT
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3IOR
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3GIM
| Dpo4 extension ternary complex with oxoG(anti)-G(syn) pair | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*AP*AP*CP*(8OG)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*C)-3', 5'-D(*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(DDG))-3', ... | Authors: | Rechkoblit, O, Malinina, L, Patel, D.J. | Deposit date: | 2009-03-05 | Release date: | 2009-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Impact of conformational heterogeneity of OxoG lesions and their pairing partners on bypass fidelity by Y family polymerases. Structure, 17, 2009
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