5C5S
 
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7S2R
 | | nanobody bound to IL-2Rg | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, ... | | Authors: | Glassman, C.R, Jude, K.M, Yen, M, Garcia, K.C. | | Deposit date: | 2021-09-03 | | Release date: | 2022-03-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Facile discovery of surrogate cytokine agonists.
Cell, 185, 2022
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7S2S
 | | nanobody bound to Interleukin-2Rbeta | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IL2Rb-binding nanobody, Interleukin-2 receptor subunit beta, ... | | Authors: | Glassman, C.R, Jude, K.M, Yen, M, Garcia, K.C. | | Deposit date: | 2021-09-03 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Facile discovery of surrogate cytokine agonists.
Cell, 185, 2022
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3V81
 | | Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and the nonnucleoside inhibitor nevirapine | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ... | | Authors: | Das, K, Martinez, S.E, Arnold, E. | | Deposit date: | 2011-12-22 | | Release date: | 2012-01-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8503 Å) | | Cite: | HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.
Nat.Struct.Mol.Biol., 19, 2012
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5ED9
 | | Crystal structure of CC1 of mouse SUN2 | | Descriptor: | SUN domain-containing protein 2 | | Authors: | Nie, S, Ke, H.M, Gao, F, Ren, J.Q, Wang, M.Z, Huo, L, Gong, W.M, Feng, W. | | Deposit date: | 2015-10-21 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.009 Å) | | Cite: | Coiled-Coil Domains of SUN Proteins as Intrinsic Dynamic Regulators
Structure, 24, 2016
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5ED8
 | | Crystal structure of CC2-SUN of mouse SUN2 | | Descriptor: | MAGNESIUM ION, MKIAA0668 protein | | Authors: | Nie, S, Ke, H.M, Gao, F, Ren, J.Q, Wang, M.Z, Huo, L, Gong, W.M, Feng, W. | | Deposit date: | 2015-10-21 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Coiled-Coil Domains of SUN Proteins as Intrinsic Dynamic Regulators
Structure, 24, 2016
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7M2N
 | | Crystal structure of Human Lactate Dehydrogenase A with Inhibitor Compound 15 | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, ... | | Authors: | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | | Deposit date: | 2021-03-17 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria
ACS Medicinal Chemistry Letters, 12, 2021
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7M2O
 | | Crystal structure of Human Glycolate Oxidase with Inhibitor Compound 15 | | Descriptor: | 1,2-ETHANEDIOL, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | | Deposit date: | 2021-03-17 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria
ACS Medicinal Chemistry Letters, 12, 2021
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6YZ7
 | | H11-D4, SARS-CoV-2 RBD, CR3022 ternary complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Cr3022, Antibody light chain, ... | | Authors: | Naismith, J.H, Ren, J, Zhou, D, Zhao, Y, Stuart, D.I. | | Deposit date: | 2020-05-06 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural characterisation of a nanobody derived from a naive library that neutralises SARS-CoV-2
To Be Published, 2020
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6Z2M
 | | H11-D4, SARS-CoV-2 RBD, CR3022 ternary complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 antibody, Spike glycoprotein, ... | | Authors: | Naismith, J.H, Ren, J, Zhou, D, Zhao, Y, Stuart, D.I. | | Deposit date: | 2020-05-17 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structural characterisation of a nanobody derived from a naive library that neutralises SARS-CoV-2
To Be Published
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4LWE
 | | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ2 | | Descriptor: | Heat shock protein HSP 90-alpha, N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide | | Authors: | Li, J, Shi, F, Xiong, B, He, J. | | Deposit date: | 2013-07-27 | | Release date: | 2014-07-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
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4LWF
 | | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ3 | | Descriptor: | 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | | Authors: | Li, J, Shi, F, Xiong, B, He, J. | | Deposit date: | 2013-07-27 | | Release date: | 2014-07-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
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4LWI
 | | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6 | | Descriptor: | Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide | | Authors: | Li, J, Shi, F, Xiong, B, He, J. | | Deposit date: | 2013-07-27 | | Release date: | 2014-07-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
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4LWG
 | | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ4 | | Descriptor: | 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone, Heat shock protein HSP 90-alpha | | Authors: | Li, J, Shi, F, Xiong, B, He, J. | | Deposit date: | 2013-07-27 | | Release date: | 2014-07-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.599 Å) | | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
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4LWH
 | | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5 | | Descriptor: | Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide | | Authors: | Li, J, Shi, F, Xiong, B, He, J. | | Deposit date: | 2013-07-27 | | Release date: | 2014-07-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
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4UY1
 | | Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors | | Descriptor: | 5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sandmark, J, Oster, L, Hallberg, K, Bodin, C, Chen, H. | | Deposit date: | 2014-08-28 | | Release date: | 2014-10-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a Novel Pyrazole Series of Group X Secreted Phospholipase A2 Inhibitor (Spla2X) Via Fragment Based Virtual Screening
Bioorg.Med.Chem.Lett., 24, 2014
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6J72
 | | Crystal structure of IniA from Mycobacterium smegmatis with GTP bound | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Isoniazid inducible gene protein IniA, L(+)-TARTARIC ACID, ... | | Authors: | Wang, M.F, Guo, X.Y, Hu, J.J, Li, J, Rao, Z.H. | | Deposit date: | 2019-01-16 | | Release date: | 2019-09-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mycobacterial dynamin-like protein IniA mediates membrane fission.
Nat Commun, 10, 2019
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6KMH
 | | The crystal structure of CASK/Mint1 complex | | Descriptor: | Amyloid-beta A4 precursor protein-binding family A member 1, CHLORIDE ION, IODIDE ION, ... | | Authors: | Li, W, Feng, W. | | Deposit date: | 2019-07-31 | | Release date: | 2020-08-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | CASK modulates the assembly and function of the Mint1/Munc18-1 complex to regulate insulin secretion.
Cell Discov, 6, 2020
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6J73
 | | Crystal structure of IniA from Mycobacterium smegmatis | | Descriptor: | Isoniazid inducible gene protein IniA | | Authors: | Wang, M.F, Guo, X.Y, Hu, J.J, Li, J, Rao, Z.H. | | Deposit date: | 2019-01-16 | | Release date: | 2019-09-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.211 Å) | | Cite: | Mycobacterial dynamin-like protein IniA mediates membrane fission.
Nat Commun, 10, 2019
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3JB4
 | | Structure of Ljungan virus: insight into picornavirus packaging | | Descriptor: | VP0, VP1, VP3 | | Authors: | Zhu, L, Wang, X.X, Ren, J.S, Porta, C, Wenham, H, Ekstrom, J.-O, Panjwani, A, Knowles, N.J, Kotecha, A, Siebert, A, Lindberg, M, Fry, E.E, Rao, Z.H, Tuthill, T.J, Stuart, D.I. | | Deposit date: | 2015-07-21 | | Release date: | 2015-10-21 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of Ljungan virus provides insight into genome packaging of this picornavirus.
Nat Commun, 6, 2015
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5OWC
 | | Indole-2 carboxamides as selective secreted phospholipase A2 type X (sPLA2-X) inhibitors | | Descriptor: | 3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sandmark, J.S, Roth, R.G, Knerr, L, Bodin, C, Pettersen, D. | | Deposit date: | 2017-08-31 | | Release date: | 2018-08-01 | | Last modified: | 2021-05-05 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of a Series of Indole-2 Carboxamides as Selective Secreted Phospholipase A2Type X (sPLA2-X) Inhibitors.
Acs Med.Chem.Lett., 9, 2018
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5OW8
 | | Indole-2 carboxamides as selective secreted phospholipase A2 type X (sPLA2-X) inhibitors | | Descriptor: | 1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Sandmark, J.S, Roth, R.G, Knerr, L, Bodin, C, Pettersen, D. | | Deposit date: | 2017-08-31 | | Release date: | 2018-08-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of a Series of Indole-2 Carboxamides as Selective Secreted Phospholipase A2Type X (sPLA2-X) Inhibitors.
Acs Med.Chem.Lett., 9, 2018
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8H2X
 | | Structure of Acb2 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, p26 | | Authors: | Feng, Y, Cao, X.L. | | Deposit date: | 2022-10-07 | | Release date: | 2023-02-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Bacteriophages inhibit and evade cGAS-like immune function in bacteria.
Cell, 186, 2023
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8H39
 | | Structure of Acb2 complexed with c-di-AMP | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, 1,2-ETHANEDIOL, p26 | | Authors: | Feng, Y, Cao, X.L. | | Deposit date: | 2022-10-08 | | Release date: | 2023-02-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Bacteriophages inhibit and evade cGAS-like immune function in bacteria.
Cell, 186, 2023
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8H2J
 | | Structure of Acb2 complexed with 3',3'-cGAMP | | Descriptor: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, p26 | | Authors: | Feng, Y, Cao, X.L. | | Deposit date: | 2022-10-06 | | Release date: | 2023-02-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Bacteriophages inhibit and evade cGAS-like immune function in bacteria.
Cell, 186, 2023
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