6LIN
| Crystal structure of human PDK2 complexed with GM10030 | Descriptor: | 4-[[[4-[3,5-bis(fluoranyl)-4-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Kang, J, Kim, J. | Deposit date: | 2019-12-12 | Release date: | 2020-09-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Structural basis for the inhibition of PDK2 by novel ATP- and lipoyl-binding site targeting compounds. Biochem.Biophys.Res.Commun., 527, 2020
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6LIO
| Crystal structure of human PDK2 complexed with GM67520 | Descriptor: | 4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid, GLYCEROL, SULFATE ION, ... | Authors: | Kang, J, Kim, J. | Deposit date: | 2019-12-12 | Release date: | 2020-09-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural basis for the inhibition of PDK2 by novel ATP- and lipoyl-binding site targeting compounds. Biochem.Biophys.Res.Commun., 527, 2020
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6LIL
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5XVC
| [NiFe]-hydrogenase (Hyb-type) from Citrobacter sp. S-77 in a ferricyanide-oxidized condition | Descriptor: | DI(HYDROXYETHYL)ETHER, FE3-S4 CLUSTER, FE4-S4-O CLUSTER, ... | Authors: | Nishikawa, K, Matsuura, H, Muhd Noor, N.D, Tai, H, Hirota, S, Kim, J, Kang, J, Tateno, M, Yoon, K.S, Ogo, S, Shomura, Y, Higuchi, Y. | Deposit date: | 2017-06-27 | Release date: | 2018-06-27 | Last modified: | 2019-07-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Redox-dependent conformational changes of a proximal [4Fe-4S] cluster in Hyb-type [NiFe]-hydrogenase to protect the active site from O2. Chem.Commun.(Camb.), 54, 2018
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5XVD
| [NiFe]-hydrogenase (Hyb-type) from Citrobacter sp. S-77 in an air-oxidized condition | Descriptor: | FE3-S4 CLUSTER, FE4-S4-O CLUSTER, GLYCEROL, ... | Authors: | Nishikawa, K, Matsuura, H, Muhd Noor, N.D, Tai, H, Hirota, S, Kim, J, Kang, J, Tateno, M, Yoon, K.S, Ogo, S, Shomura, Y, Higuchi, Y. | Deposit date: | 2017-06-27 | Release date: | 2018-06-27 | Last modified: | 2019-07-10 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Redox-dependent conformational changes of a proximal [4Fe-4S] cluster in Hyb-type [NiFe]-hydrogenase to protect the active site from O2. Chem.Commun.(Camb.), 54, 2018
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5XVB
| [NiFe]-hydrogenase (Hyb-type) from Citrobacter sp. S-77 in an H2-reduced condition | Descriptor: | FE3-S4 CLUSTER, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Nishikawa, K, Matsuura, H, Muhd Noor, N.D, Tai, H, Hirota, S, Kim, J, Kang, J, Tateno, M, Yoon, K.S, Ogo, S, Shomura, Y, Higuchi, Y. | Deposit date: | 2017-06-27 | Release date: | 2018-06-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Redox-dependent conformational changes of a proximal [4Fe-4S] cluster in Hyb-type [NiFe]-hydrogenase to protect the active site from O2. Chem.Commun.(Camb.), 54, 2018
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5CJ9
| Bacillus halodurans Arginine repressor, ArgR | Descriptor: | Arginine repressor, S-1,2-PROPANEDIOL | Authors: | Park, Y.W, Kang, J, Yeo, H.Y, Lee, J.Y. | Deposit date: | 2015-07-14 | Release date: | 2016-06-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.409 Å) | Cite: | Structural Analysis and Insights into the Oligomeric State of an Arginine-Dependent Transcriptional Regulator from Bacillus halodurans. Plos One, 11, 2016
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3Q6S
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4R8Q
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6RLN
| Crystal structure of RIP1 kinase in complex with GSK3145095 | Descriptor: | Receptor-interacting serine/threonine-protein kinase 1, ~{N}-[(3~{S})-7,9-bis(fluoranyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-3-(phenylmethyl)-1~{H}-1,2,4-triazole-5-carboxamide | Authors: | Thorpe, J.H, Harris, P.A. | Deposit date: | 2019-05-02 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Identification of a RIP1 Kinase Inhibitor Clinical Candidate (GSK3145095) for the Treatment of Pancreatic Cancer. Acs Med.Chem.Lett., 10, 2019
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8X9E
| Crystal structure of CO dehydrogenase mutant with increased affinity for electron mediators in low PEG concentration | Descriptor: | 1,2-ETHANEDIOL, Carbon monoxide dehydrogenase 2, FE (III) ION, ... | Authors: | Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y. | Deposit date: | 2023-11-30 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity. Nat Commun, 15, 2024
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8X9G
| Crystal structure of CO dehydrogenase mutant in complex with BV | Descriptor: | 1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium, Carbon monoxide dehydrogenase 2, FE(4)-NI(1)-S(4) CLUSTER, ... | Authors: | Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y. | Deposit date: | 2023-11-30 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity. Nat Commun, 15, 2024
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8X9F
| Crystal structure of CO dehydrogenase mutant in complex with EV | Descriptor: | 1,2-ETHANEDIOL, 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium, Carbon monoxide dehydrogenase 2, ... | Authors: | Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y. | Deposit date: | 2023-11-30 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity. Nat Commun, 15, 2024
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8X9D
| Crystal structure of CO dehydrogenase mutant with increased affinity for electron mediators in high PEG concentration | Descriptor: | Carbon monoxide dehydrogenase 2, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ... | Authors: | Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y. | Deposit date: | 2023-11-30 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity. Nat Commun, 15, 2024
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8X9H
| Crystal structure of CO dehydrogenase mutant (F41C) | Descriptor: | Carbon monoxide dehydrogenase 2, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ... | Authors: | Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y. | Deposit date: | 2023-11-30 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity. Nat Commun, 15, 2024
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6DXL
| Linked amidobenzimidazole STING agonist | Descriptor: | 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}, CALCIUM ION, Stimulator of interferon protein | Authors: | Concha, N.O. | Deposit date: | 2018-06-29 | Release date: | 2018-11-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Design of amidobenzimidazole STING receptor agonists with systemic activity. Nature, 564, 2018
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6DXG
| amidobenzimidazole (ABZI) STING agonists | Descriptor: | 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide, CALCIUM ION, Stimulator of interferon protein | Authors: | Concha, N.O. | Deposit date: | 2018-06-28 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Design of amidobenzimidazole STING receptor agonists with systemic activity. Nature, 564, 2018
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5IY5
| Electron transfer complex of cytochrome c and cytochrome c oxidase at 2.0 angstrom resolution | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, S, Baba, J, Aoe, S, Shimada, A, Yamashita, E, Tsukihara, T. | Deposit date: | 2016-03-24 | Release date: | 2017-01-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Complex structure of cytochrome c-cytochrome c oxidase reveals a novel protein-protein interaction mode EMBO J., 36, 2017
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5KN1
| Recombinant bovine skeletal calsequestrin, high-Ca2+ form | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Lewis, K.M, Byrd, S, Kang, C. | Deposit date: | 2016-06-27 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.137 Å) | Cite: | Characterization of Post-Translational Modifications to Calsequestrins of Cardiac and Skeletal Muscle. Int J Mol Sci, 17, 2016
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5KN0
| Native bovine skeletal calsequestrin, low-Ca2+ form | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lewis, K.M, Byrd, S, Kang, C. | Deposit date: | 2016-06-27 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.729 Å) | Cite: | Characterization of Post-Translational Modifications to Calsequestrins of Cardiac and Skeletal Muscle. Int J Mol Sci, 17, 2016
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5KN2
| Native bovine skeletal calsequestrin, high-Ca2+ form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Calsequestrin | Authors: | Lewis, K.M, Byrd, S.S, Kang, C. | Deposit date: | 2016-06-27 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Characterization of Post-Translational Modifications to Calsequestrins of Cardiac and Skeletal Muscle. Int J Mol Sci, 17, 2016
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5KN3
| Recombinant bovine skeletal calsequestrin, low-Ca2+ form | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Lewis, K.M, Byrd, S, Kang, C. | Deposit date: | 2016-06-27 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | Characterization of Post-Translational Modifications to Calsequestrins of Cardiac and Skeletal Muscle. Int J Mol Sci, 17, 2016
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3G6A
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3G6D
| Crystal structure of the complex between CNTO607 Fab and IL-13 | Descriptor: | CNTO607 Fab Heavy chain, CNTO607 Fab Light chain, Interleukin-13, ... | Authors: | Teplyakov, A, Obmolova, G, Gilliland, G.L. | Deposit date: | 2009-02-06 | Release date: | 2009-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Epitope mapping of anti-interleukin-13 neutralizing antibody CNTO607. J.Mol.Biol., 389, 2009
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6UH5
| Structural basis of COMPASS eCM recognition of the H2Bub nucleosome | Descriptor: | Bre2, DNA (146-MER), H3 N-terminus, ... | Authors: | Hsu, P.L, Shi, H, Zheng, N. | Deposit date: | 2019-09-26 | Release date: | 2019-11-20 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural Basis of H2B Ubiquitination-Dependent H3K4 Methylation by COMPASS. Mol.Cell, 76, 2019
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