7BPI
 
 | | The crystal structue of PDE10A complexed with 14 | | Descriptor: | 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Yang, Y, Zhang, S, Zhou, Q, Huang, Y.-Y, Guo, L, Luo, H.-B. | | Deposit date: | 2020-03-22 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4000864 Å) | | Cite: | Discovery of highly selective and orally available benzimidazole-based phosphodiesterase 10 inhibitors with improved solubility and pharmacokinetic properties for treatment of pulmonary arterial hypertension.
Acta Pharm Sin B, 10, 2020
|
|
6S8N
 | | Cryo-EM structure of LptB2FGC in complex with lipopolysaccharide | | Descriptor: | 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, Inner membrane protein yjgQ, ... | | Authors: | Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H. | | Deposit date: | 2019-07-10 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
|
|
6S8H
 | | Cryo-EM structure of LptB2FG in complex with LPS | | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H. | | Deposit date: | 2019-07-10 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
|
|
6S8G
 | | Cryo-EM structure of LptB2FGC in complex with AMP-PNP | | Descriptor: | Inner membrane protein yjgQ, LPS export ABC transporter permease LptF, Lipopolysaccharide ABC transporter, ... | | Authors: | Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H. | | Deposit date: | 2019-07-10 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
|
|
6J1L
 | | Crystal Structure Analysis of the ROR gamma(C455E) | | Descriptor: | 2-[4-(ethylsulfonyl)phenyl]-N-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide, Nuclear receptor ROR-gamma | | Authors: | zhang, Y, Li, C.C, wu, X.S. | | Deposit date: | 2018-12-28 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable ROR gamma Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer.
J.Med.Chem., 62, 2019
|
|
7T63
 | |
3E6U
 | | Crystal structure of Human LanCL1 | | Descriptor: | LanC-like protein 1, ZINC ION | | Authors: | Zhang, W, Zhu, G, Li, X, Rao, Z, Zhang, C. | | Deposit date: | 2008-08-16 | | Release date: | 2009-06-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione
Genes Dev., 23, 2009
|
|
3E73
 | | Crystal Structure of Human LanCL1 complexed with GSH | | Descriptor: | GLUTATHIONE, LanC-like protein 1, ZINC ION | | Authors: | Zhang, W, Zhu, G, Li, X, Rao, Z, Zhang, C. | | Deposit date: | 2008-08-17 | | Release date: | 2009-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione
Genes Dev., 23, 2009
|
|
6ZY3
 | | Cryo-EM structure of MlaFEDB in complex with phospholipid | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ... | | Authors: | Dong, C.J, Dong, H.H. | | Deposit date: | 2020-07-30 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
|
|
6ZY4
 | | Cryo-EM structure of MlaFEDB in complex with ADP | | Descriptor: | ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Dong, C.J, Dong, H.H. | | Deposit date: | 2020-07-30 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
|
|
6ZY2
 | | Cryo-EM structure of apo MlaFEDB | | Descriptor: | ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, Toluene tolerance protein Ttg2A, ... | | Authors: | Dong, C.J, Dong, H.H. | | Deposit date: | 2020-07-30 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
|
|
6ZY9
 | | Cryo-EM structure of MlaFEDB in complex with AMP-PNP | | Descriptor: | ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, MAGNESIUM ION, ... | | Authors: | Dong, C.J, Dong, H.H. | | Deposit date: | 2020-07-30 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
|
|
6RAV
 | | Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | | Descriptor: | 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | | Authors: | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | | Deposit date: | 2019-04-08 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6J7G
 | |
4UX4
 | | Crystal structure of human tankyrase 2 in complex with 1-methyl-7-(4- methylphenyl)-5-oxo-5,6-dihydro-1,6-naphthyridin-1-ium | | Descriptor: | (1S)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Lehtio, L. | | Deposit date: | 2014-08-19 | | Release date: | 2015-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Based Design, Synthesis and Evaluation in Vitro of Arylnaphthyridinones, Arylpyridopyrimidinones and Their Tetrahydro Derivatives as Inhibitors of the Tankyrases.
Bioorg.Med.Chem., 23, 2015
|
|
3C4C
 | | B-Raf Kinase in Complex with PLX4720 | | Descriptor: | B-Raf proto-oncogene serine/threonine-protein kinase, N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide | | Authors: | Zhang, K.Y.J, Wang, W. | | Deposit date: | 2008-01-29 | | Release date: | 2008-02-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
3C4E
 | | Pim-1 Kinase Domain in Complex with 3-aminophenyl-7-azaindole | | Descriptor: | IMIDAZOLE, N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Zhang, K.Y.J, Wang, W. | | Deposit date: | 2008-01-29 | | Release date: | 2008-02-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
3C4F
 | |
6IPC
 | | Non-native human ferritin 8-mer | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Ferritin heavy chain | | Authors: | Zang, J.C, Chen, H, Zhao, G. | | Deposit date: | 2018-11-03 | | Release date: | 2019-03-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (4.443 Å) | | Cite: | Disulfide-mediated conversion of 8-mer bowl-like protein architecture into three different nanocages.
Nat Commun, 10, 2019
|
|
6IPP
 | | Non-native ferritin 8-mer mutant-C90A/C102A/C130A/D144C | | Descriptor: | FE (III) ION, Ferritin heavy chain | | Authors: | Zang, J, Chen, H, Zhou, K, Zhao, G. | | Deposit date: | 2018-11-03 | | Release date: | 2019-03-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.699 Å) | | Cite: | Disulfide-mediated conversion of 8-mer bowl-like protein architecture into three different nanocages.
Nat Commun, 10, 2019
|
|
6JC7
 | | Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with amino donor L-Ala | | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, ACETIC ACID, CrmG, ... | | Authors: | Xu, J, Su, K, Liu, J. | | Deposit date: | 2019-01-28 | | Release date: | 2020-02-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
|
|
6JC9
 | |
6QSW
 | | Complement factor B protease domain in complex with the reversible inhibitor N-(2-bromo-4-methylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine. | | Descriptor: | Complement factor B, SULFATE ION, ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine | | Authors: | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | | Deposit date: | 2019-02-22 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6QSX
 | | Complement factor B protease domain in complex with the reversible inhibitor ((2S,4S)-1-((5,7-dimethyl-1H-indol-4-yl)methyl)-4-methoxypiperidin-2-yl)methanol. | | Descriptor: | Complement factor B, SULFATE ION, ZINC ION, ... | | Authors: | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | | Deposit date: | 2019-02-22 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6CFS
 | |
