7TAZ
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![BU of 7taz by Molmil](/molmil-images/mine/7taz) | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with VM-1500A, a non-nucleoside RT inhibitor | Descriptor: | 2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide, Reverse transcriptase p51, Reverse transcriptase/ribonuclease H | Authors: | Snyder, A.A, Risener, C.J, Kirby, K.A, Sarafianos, S.G. | Deposit date: | 2021-12-21 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with VM-1500A, a non-nucleoside RT inhibitor To Be Published
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7WD3
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![BU of 7wd3 by Molmil](/molmil-images/mine/7wd3) | Cryo-EM structure of Drg1 hexamer treated with ATP and benzo-diazaborine | Descriptor: | 2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL, ADENOSINE-5'-TRIPHOSPHATE, ATPase family gene 2 protein | Authors: | Ma, C.Y, Wu, D.M, Chen, Q, Gao, N. | Deposit date: | 2021-12-21 | Release date: | 2022-12-14 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural dynamics of AAA + ATPase Drg1 and mechanism of benzo-diazaborine inhibition. Nat Commun, 13, 2022
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7WDJ
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![BU of 7wdj by Molmil](/molmil-images/mine/7wdj) | The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with linoleic acid | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | Authors: | Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | Deposit date: | 2021-12-21 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with linoleic acid To Be Published
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7WD6
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![BU of 7wd6 by Molmil](/molmil-images/mine/7wd6) | The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with hexanoic acid | Descriptor: | Fatty acid-binding protein, heart, HEXANOIC ACID, ... | Authors: | Sugiyama, S, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | Deposit date: | 2021-12-21 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with hexanoic acid To Be Published
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7WDH
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![BU of 7wdh by Molmil](/molmil-images/mine/7wdh) | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol and hydroxylamine | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2021-12-21 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons. Angew.Chem.Int.Ed.Engl., 62, 2023
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7WDI
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![BU of 7wdi by Molmil](/molmil-images/mine/7wdi) | Crystal structure of the P450 BM3 heme domain mutant F87K in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2021-12-21 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine To Be Published
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7WDG
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![BU of 7wdg by Molmil](/molmil-images/mine/7wdg) | Crystal structure of the P450 BM3 heme domain mutant F87L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol and hydroxylamine | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2021-12-21 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons. Angew.Chem.Int.Ed.Engl., 62, 2023
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7WDE
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![BU of 7wde by Molmil](/molmil-images/mine/7wde) | Crystal structure of the P450 BM3 heme domain mutant F87L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, styrene and hydroxylamine | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2021-12-21 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine To Be Published
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7WDD
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![BU of 7wdd by Molmil](/molmil-images/mine/7wdd) | Crystal structure of the P450 BM3 heme domain mutant F87K in complex with N-imidazolyl-hexanoyl-L-phenylalanine, styrene and hydroxylamine | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2021-12-21 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine To Be Published
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7QNN
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![BU of 7qnn by Molmil](/molmil-images/mine/7qnn) | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate | Authors: | Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M. | Deposit date: | 2021-12-21 | Release date: | 2022-12-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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7WDB
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![BU of 7wdb by Molmil](/molmil-images/mine/7wdb) | Human TRPC5 channel in complex with riluzole | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine, CALCIUM ION, ... | Authors: | Chen, L, Wei, M, Yang, Y. | Deposit date: | 2021-12-21 | Release date: | 2022-04-13 | Last modified: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structural identification of riluzole-binding site on human TRPC5. Cell Discov, 8, 2022
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7TAH
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![BU of 7tah by Molmil](/molmil-images/mine/7tah) | |
7TAJ
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![BU of 7taj by Molmil](/molmil-images/mine/7taj) | |
7TAF
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![BU of 7taf by Molmil](/molmil-images/mine/7taf) | Cryo-EM structure of Human Enterovirus D68 US/MO/14-18947 strain virion in complex with inhibitor 11526092 | Descriptor: | N,N-dimethyl-5-(3-{2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy}propyl)-1,2-oxazole-3-carboxamide, viral protein 1, viral protein 2, ... | Authors: | Fu, J, Klose, T, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-12-20 | Release date: | 2023-01-25 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2 Å) | Cite: | Isoxazole-3-Carboxamide Derivatives of Pleconaril Destabilize the Viral Capsid of Enterovirus-D68 To Be Published
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7TAG
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![BU of 7tag by Molmil](/molmil-images/mine/7tag) | Cryo-EM structure of Human Enterovirus D68 US/MO/14-18947 strain virion in complex with pleconaril | Descriptor: | 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE, viral protein 1, viral protein 2, ... | Authors: | Fu, J, Klose, T, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-12-20 | Release date: | 2023-01-25 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Isoxazole-3-Carboxamide Derivatives of Pleconaril Destabilize the Viral Capsid of Enterovirus-D68 To Be Published
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7WCQ
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![BU of 7wcq by Molmil](/molmil-images/mine/7wcq) | Crystal structure of HIV-1 protease in complex with lactam derivative 1 | Descriptor: | (3R,4R)-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3-(4-methylsulfonylphenyl)-4-oxidanyl-pyrrolidin-2-one, Protease | Authors: | Kojima, E, Iimuro, A, Nakajima, M, Kinuta, H, Asada, N, Sako, Y, Nakata, Z, Uemura, K, Arita, S, Miki, S, Wakasa-Morimoto, C, Tachibana, Y, Fumoto, M. | Deposit date: | 2021-12-20 | Release date: | 2022-11-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.011 Å) | Cite: | Pocket-to-Lead: Structure-Based De Novo Design of Novel Non-peptidic HIV-1 Protease Inhibitors Using the Ligand Binding Pocket as a Template. J.Med.Chem., 65, 2022
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7WCI
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![BU of 7wci by Molmil](/molmil-images/mine/7wci) | The 0.85 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with two molecules of pelargonic acid | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | Authors: | Sugiyama, S, Kakinouchi, K, Takahashi, J, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | Deposit date: | 2021-12-20 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | The 0.85 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with two molecules of pelargonic acid To Be Published
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7WCM
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![BU of 7wcm by Molmil](/molmil-images/mine/7wcm) | Cryo-EM structure of GPR119-Gs Complex with small molecule agonist MBX-2982 | Descriptor: | 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole, Glucose-dependent insulinotropic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Qiao, A.N, Wu, S, Ye, S. | Deposit date: | 2021-12-20 | Release date: | 2022-12-21 | Last modified: | 2022-12-28 | Method: | ELECTRON MICROSCOPY (2.33 Å) | Cite: | Activation and signaling mechanism revealed by GPR119-G s complex structures. Nat Commun, 13, 2022
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7WCN
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![BU of 7wcn by Molmil](/molmil-images/mine/7wcn) | Cryo-EM structure of GPR119-Gs Complex with small molecule agonist AR231453 | Descriptor: | Glucose-dependent insulinotropic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Qiao, A.N, Wu, S, Ye, S. | Deposit date: | 2021-12-20 | Release date: | 2022-12-21 | Last modified: | 2022-12-28 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Activation and signaling mechanism revealed by GPR119-G s complex structures. Nat Commun, 13, 2022
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7QNG
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![BU of 7qng by Molmil](/molmil-images/mine/7qng) | Structure of a MHC I-Tapasin-ERp57 complex | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Mueller, I.K, Thomas, C, Trowitzsch, S, Tampe, R. | Deposit date: | 2021-12-20 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of an MHC I-tapasin-ERp57 editing complex defines chaperone promiscuity. Nat Commun, 13, 2022
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7QLU
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![BU of 7qlu by Molmil](/molmil-images/mine/7qlu) | Endothiapepsin apo at 100K | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Endothiapepsin | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QN3
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![BU of 7qn3 by Molmil](/molmil-images/mine/7qn3) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 13) | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QLT
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![BU of 7qlt by Molmil](/molmil-images/mine/7qlt) | Endothiapepsin in complex with ligand TL00150 in 10% DMSO at 100K | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QLY
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![BU of 7qly by Molmil](/molmil-images/mine/7qly) | Endothiapepsin apo at 298K | Descriptor: | Endothiapepsin | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QLZ
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![BU of 7qlz by Molmil](/molmil-images/mine/7qlz) | Endothiapepsin in 5% DMSO at 298 K | Descriptor: | Endothiapepsin | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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