7FGY
| Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P40, NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, J, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S. | Deposit date: | 2021-07-28 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase. Acs Chem.Biol., 17, 2022
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7FGW
| Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with pyrimethamine, NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, BENZAMIDINE, ... | Authors: | Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, Y, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S. | Deposit date: | 2021-07-28 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase. Acs Chem.Biol., 17, 2022
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6A7E
| Human dihydrofolate reductase complexed with NADPH and BT2 | Descriptor: | 5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Vanichtanankul, J, Tarnchompoo, B, Chitnumsub, P, Kamchonwongpaisan, S, Yuthavong, Y. | Deposit date: | 2018-07-02 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance. ACS Med Chem Lett, 9, 2018
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6A7C
| Human dihydrofolate reductase complexed with NADPH and BT1 | Descriptor: | 5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Vanichtanankul, J, Tarnchompoo, B, Chitnumsub, P, Kamchonwongpaisan, S, Yuthavong, Y. | Deposit date: | 2018-07-02 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance. ACS Med Chem Lett, 9, 2018
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3VYB
| Crystal structure of methyl CpG binding domain of MBD4 in complex with the 5mCG/hmCG sequence | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*GP*TP*CP*(5HC)P*GP*GP*TP*AP*GP*TP*GP*AP*CP*T)-3'), ... | Authors: | Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M. | Deposit date: | 2012-09-22 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of the versatile DNA recognition ability of the methyl-CpG binding domain of methyl-CpG binding domain protein 4 J.Biol.Chem., 288, 2013
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7CTY
| Wild type plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS), fragment 263, NADP+, dUMP | Descriptor: | Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION, ... | Authors: | Vanichtanankul, J, Vitsupakorn, D. | Deposit date: | 2020-08-20 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of new non-pyrimidine scaffolds as Plasmodium falciparum DHFR inhibitors by fragment-based screening. J Enzyme Inhib Med Chem, 36, 2021
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7CTW
| Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with fragment 820, NADPH, dUMP | Descriptor: | 1-(2-methylsulfanylphenyl)piperazine, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Vanichtanankul, J, Vitsupakorn, D. | Deposit date: | 2020-08-20 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery of new non-pyrimidine scaffolds as Plasmodium falciparum DHFR inhibitors by fragment-based screening. J Enzyme Inhib Med Chem, 36, 2021
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7CVR
| Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Tetralylamine | Descriptor: | (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine, (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | Authors: | Stanfield, J.K, Sugimoto, H, Shoji, O. | Deposit date: | 2020-08-26 | Release date: | 2021-09-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Tetralylamine at 1.60 Angstrom Resolution To Be Published
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7CX6
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7CX8
| Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Tetralylamine | Descriptor: | (1R)-1,2,3,4-tetrahydronaphthalen-1-amine, (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine, (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, ... | Authors: | Stanfield, J.K, Sugimoto, H, Shoji, O. | Deposit date: | 2020-09-01 | Release date: | 2021-09-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Tetralylamine at 1.70 Angstrom Resolution To Be Published
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7E46
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7CKN
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7COO
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7CON
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7CP8
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7CZI
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7D0T
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7D0U
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7D1F
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4UIF
| Cryo-EM structure of Dengue virus serotype 2 in complex with antigen-binding fragments of human antibody 2D22 | Descriptor: | ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 - HEAVY CHAIN, ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 - LIGHT CHAIN, DENGUE VIRUS SEROTYPE 2 STRAIN PVP94 07 - ENVELOPE PROTEIN, ... | Authors: | Fibriansah, G, Ibarra, K.D, Ng, T.-S, Smith, S.A, Tan, J.L, Lim, X.-N, Ooi, J.S.G, Kostyuchenko, V.A, Wang, J, de Silva, A.M, Harris, E, Crowe Junior, J.E, Lok, S.-M. | Deposit date: | 2015-03-30 | Release date: | 2015-07-15 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | Cryo-EM structure of an antibody that neutralizes dengue virus type 2 by locking E protein dimers. Science, 349, 2015
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4UIH
| Cryo-EM structure of Dengue virus serotype 2 strain New Guinea-C complexed with human antibody 2D22 Fab at 37 degree C. The Fab molecules were added to the virus before 37 degree C incubation. | Descriptor: | ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 -HEAVY CHAIN, ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 -LIGHT CHAIN, DENGUE VIRUS SEROTYPE 2 STRAIN NEW GUINEA-C E PROTEIN ECTODOMAIN | Authors: | Fibriansah, G, Ibarra, K.D, Ng, T.-S, Smith, S.A, Tan, J.L, Lim, X.N, Ooi, J.S.G, Kostyuchenko, V.A, Wang, J, de Silva, A.M, Harris, E, Crowe, J.E, Lok, S.-M. | Deposit date: | 2015-03-30 | Release date: | 2015-07-15 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (20 Å) | Cite: | Cryo-EM structure of an antibody that neutralizes dengue virus type 2 by locking E protein dimers. Science, 349, 2015
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7Y7Y
| Cryo-EM structure of human GABA transporter GAT1 bound with nipecotic acid in NaCl solution in an inward-occluded state at 2.4 angstrom | Descriptor: | (3R)-piperidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2022-06-22 | Release date: | 2023-04-26 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Molecular basis for substrate recognition and transport of human GABA transporter GAT1. Nat.Struct.Mol.Biol., 30, 2023
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7Y7W
| Cryo-EM structure of human GABA transporter GAT1 bound with GABA in NaCl solution in an inward-occluded state at 2.4 angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2022-06-22 | Release date: | 2023-04-26 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Molecular basis for substrate recognition and transport of human GABA transporter GAT1. Nat.Struct.Mol.Biol., 30, 2023
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7Y7Z
| Cryo-EM structure of human GABA transporter GAT1 bound with tiagabine in NaCl solution in an inward-open state at 3.2 angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Sodium- and chloride-dependent GABA transporter 1, ... | Authors: | Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2022-06-22 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular basis for substrate recognition and transport of human GABA transporter GAT1. Nat.Struct.Mol.Biol., 30, 2023
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7Y7V
| Cryo-EM structure of human apo GABA transporter GAT1 in an inward-open state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Sodium- and chloride-dependent GABA transporter 1 | Authors: | Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2022-06-22 | Release date: | 2023-04-26 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Molecular basis for substrate recognition and transport of human GABA transporter GAT1. Nat.Struct.Mol.Biol., 30, 2023
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