8F9Z
 
 | | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-14204, an HIV-1 gp120 antagonist | | 分子名称: | (5M)-N-{(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Kwon, Y.D, Kwong, P.D. | | 登録日 | 2022-11-25 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Antiviral Activity and Crystal Structures of HIV-1 gp120 Antagonists.
Int J Mol Sci, 23, 2022
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6NIJ
 | | PGT145 Fab in complex with full length AMC011 HIV-1 Env | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AMC011 Glycoprotein 120, ... | | 著者 | Cottrell, C.A, Torrents de la Pena, A, Rantalainen, K, Torres, J.L, Ward, A.B. | | 登録日 | 2018-12-29 | | 公開日 | 2019-07-31 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (5.7 Å) | | 主引用文献 | Similarities and differences between native HIV-1 envelope glycoprotein trimers and stabilized soluble trimer mimetics.
Plos Pathog., 15, 2019
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7R3Z
 | | Tankyrase 2 catalytic domain in complex with OUL40 | | 分子名称: | 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ... | | 著者 | Murthy, S, Venkannagari, H, Maksimainen, M.M, Lehtio, L. | | 登録日 | 2022-02-08 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
J.Med.Chem., 66, 2023
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8ESX
 | | HIV protease in complex with benzoxaborolone analog of darunavir | | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Windsor, I.W, Graham, B.J, Raines, R.T. | | 登録日 | 2022-10-15 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Inhibition of HIV-1 Protease by a Boronic Acid with High Oxidative Stability.
Acs Med.Chem.Lett., 14, 2023
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7MA7
 | | HIV-1 Protease (I84V) in Complex with UMass7 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2021-03-31 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.919 Å) | | 主引用文献 | HIV-1 Protease (I84V) in Complex with UMass7
To Be Published
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7MAQ
 | | Drug Resistant HIV-1 Protease (L10F, V32I, L33F, K45I, A71V, V82I, I84V) in Complex with DRV | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2021-03-31 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Drug Resistant HIV-1 Protease (L10F, V32I, L33F, K45I, A71V, V82I, I84V) in Complex with DRV
To Be Published
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7MA8
 | | HIV-1 Protease (I84V) in Complex with UMass8 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2021-03-31 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | HIV-1 Protease (I84V) in Complex with UMass8
To Be Published
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7MA3
 | | HIV-1 Protease (I84V) in Complex with UMass2 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2021-03-31 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.969 Å) | | 主引用文献 | HIV-1 Protease (I84V) in Complex with UMass2
To Be Published
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7MA4
 | | HIV-1 Protease (I84V) in Complex with UMass3 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)propyl]carbamate, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2021-03-31 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.989 Å) | | 主引用文献 | HIV-1 Protease (I84V) in Complex with UMass3
To Be Published
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7R3T
 | | Crystal structure of the Dimeric C-terminal Big_2-CBM56 domains from Paenibacillus illinoisensis (Bacillus circulans IAM1165) beta-1,3-glucanase H | | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Beta-1,3-glucanase bglH, CHLORIDE ION, ... | | 著者 | Najmudin, S, Venditto, I, Fontes, C.M.G.A, Bule, P. | | 登録日 | 2022-02-07 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.109 Å) | | 主引用文献 | Structural and biochemical characterization of C-terminal Big_2-CBM56 domains of Paenibacillus illinoisensis IAM1165 beta-1,3-glucanase H and Paenibacillus sp CBM56
To be published
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6NX1
 | | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC CO-ACTIVATOR PEPTIDE AND COMPOUND-3 AKA 1,1,1,3,3,3-HEXAFLUORO-2-{4-[1-(4- LUOROBENZENESULFONYL)CYCLOPENTYL]PHENYL}PROPAN-2-OL | | 分子名称: | 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion | | 著者 | Khan, J.A. | | 登録日 | 2019-02-07 | | 公開日 | 2020-02-12 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 10, 2019
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6Q90
 | | Structure of human galactokinase 1 bound with 1-(4-Methoxyphenyl)-3-(4-pyridinyl)urea | | 分子名称: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, N-(4-methoxyphenyl)-N'-pyridin-4-ylurea, ... | | 著者 | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | | 登録日 | 2018-12-16 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure of human galactokinase 1 bound with 1-(4-Methoxyphenyl)-3-(4-pyridinyl)urea
To Be Published
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8RSN
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6YBC
 | | RNASE 3/1 version2 phosphate complex | | 分子名称: | GLYCEROL, PHOSPHATE ION, RNASE 3/1 version2 | | 著者 | Fernandez-Millan, P, Prats-Ejarque, G, Vazquez-Monteagudo, S, Boix, E. | | 登録日 | 2020-03-16 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Exploring the RNase A scaffold to combine catalytic and antimicrobial activities. Structural characterization of RNase 3/1 chimeras.
Front Mol Biosci, 9, 2022
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6QFQ
 | | Structure of human Mcl-1 in complex with indole acid inhibitor | | 分子名称: | 7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | 登録日 | 2019-01-10 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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8D9V
 | | gamma-Arf1 homodimeric interface within AP-1, Arf1, Nef lattice on narrow membrane tubes | | 分子名称: | ADP ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ... | | 著者 | Hooy, R.M, Hurley, J.H. | | 登録日 | 2022-06-11 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (9.4 Å) | | 主引用文献 | Self-assembly and structure of a clathrin-independent AP-1:Arf1 tubular membrane coat.
Sci Adv, 8, 2022
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8HVE
 | | Crystal structure of Thaumatin (1 s) | | 分子名称: | 1,2-ETHANEDIOL, L(+)-TARTARIC ACID, Thaumatin I | | 著者 | Nam, K.H. | | 登録日 | 2022-12-26 | | 公開日 | 2023-11-08 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Crystal structure of Thaumatin (1 s)
To Be Published
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8D9S
 | | AP-1, Arf1, Nef lattice on MHC-I lipopeptide incorporated wide membrane tubes, centered on beta-Arf1 | | 分子名称: | ADP ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ... | | 著者 | Hooy, R.M, Hurley, J.H. | | 登録日 | 2022-06-11 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (20 Å) | | 主引用文献 | Self-assembly and structure of a clathrin-independent AP-1:Arf1 tubular membrane coat.
Sci Adv, 8, 2022
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8D9T
 | | AP-1, Arf1, Nef lattice on MHC-I lipopeptide incorporated narrow membrane tubes, centered on gamma-Arf1 | | 分子名称: | ADP ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ... | | 著者 | Hooy, R.M, Hurley, J.H. | | 登録日 | 2022-06-11 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (20 Å) | | 主引用文献 | Self-assembly and structure of a clathrin-independent AP-1:Arf1 tubular membrane coat.
Sci Adv, 8, 2022
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8RAQ
 | | Crystal structure of Mycobacterium tuberculosis MmaA1 with S-adenosyl methionine (SAM) | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Mycolic acid methyltransferase MmaA1, ... | | 著者 | Chaudhary, B, Kobakhidze, G, Wachelder, L, Mazumdar, P.A, Madhurantakam, C, Dong, G. | | 登録日 | 2023-12-01 | | 公開日 | 2024-12-11 | | 最終更新日 | 2025-06-04 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystal structures of the mycolic acid methyl transferase 1 (MmaA1) from Mycobacterium tuberculosis in the apo-form and in complex with different cofactors reveal unique features for substrate binding.
J.Biomol.Struct.Dyn., 2025
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8D9U
 | | AP-1, Arf1, Nef lattice on MHC-I lipopeptide incorporated narrow membrane tubes, centered on beta-Arf1 | | 分子名称: | ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ... | | 著者 | Hooy, R.M, Hurley, J.H. | | 登録日 | 2022-06-11 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (20 Å) | | 主引用文献 | Self-assembly and structure of a clathrin-independent AP-1:Arf1 tubular membrane coat.
Sci Adv, 8, 2022
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8D9R
 | | AP-1, Arf1, Nef lattice on MHC-I lipopeptide incorporated wide membrane tubes, centered on gamma-Arf1 | | 分子名称: | ADP-ribosylation factor 1, AP-1 complex subunit beta-1, AP-1 complex subunit gamma-1, ... | | 著者 | Hooy, R.M, Hurley, J.H. | | 登録日 | 2022-06-11 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (20 Å) | | 主引用文献 | Self-assembly and structure of a clathrin-independent AP-1:Arf1 tubular membrane coat.
Sci Adv, 8, 2022
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6WRK
 | | Crystal structure of 3rd-generation Mj 3-nitro-tyrosine tRNA synthetase ("A7") bound to 3-nitro-tyrosine | | 分子名称: | GLYCEROL, META-NITRO-TYROSINE, SODIUM ION, ... | | 著者 | Beyer, J.N, Hosseinzadeh, P, Karplus, P.A, Mehl, R.A, Cooley, R.B. | | 登録日 | 2020-04-29 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase.
J.Mol.Biol., 432, 2020
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6YUY
 | | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 471 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid, DIMETHYL SULFOXIDE, ... | | 著者 | Hillier, J, Ruza, R.R, Jones, E.Y. | | 登録日 | 2020-04-27 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
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7BP4
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