6BPW
 
 | | Crystal structure of ferrous form of the Cl2-Tyr157 human cysteine dioxygenase with both uncrosslinked and crosslinked cofactor | | 分子名称: | Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ... | | 著者 | Liu, A, Li, J, Shin, I. | | 登録日 | 2017-11-26 | | 公開日 | 2018-07-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
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4NTS
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3E8Z
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3E9B
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3ELN
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7PNS
 | | Protein kinase A catalytic subunit in complex with PKI5-24 and EN081 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-6-[5-[(dimethylamino)methyl]-2-fluoranyl-phenyl]-1H-indole-3-carbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | | 著者 | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | | 登録日 | 2021-09-07 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.855 Å) | | 主引用文献 | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
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7PIF
 | | Protein kinase A catalytic subunit in complex with PKI5-24 and EN086 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[3-[4-(aminomethyl)oxan-4-yl]phenyl]-2-azanyl-benzenecarbonitrile, CHLORIDE ION, ... | | 著者 | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | | 登録日 | 2021-08-19 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.395 Å) | | 主引用文献 | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
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7PID
 | | Protein kinase A catalytic subunit in complex with PKI5-24 and EN060 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-5-[3-[(3R)-morpholin-3-yl]phenyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | | 著者 | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | | 登録日 | 2021-08-19 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.496 Å) | | 主引用文献 | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
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7PIH
 | | Protein kinase A catalytic subunit in complex with PKI5-24 and EN093 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-[3-[[(3~{R})-3-azanylpyrrolidin-1-yl]methyl]phenyl]-4~{H}-isoquinolin-1-one, CHLORIDE ION, ... | | 著者 | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | | 登録日 | 2021-08-19 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.374 Å) | | 主引用文献 | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
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7PIE
 | | Protein kinase A catalytic subunit in complex with PKI5-24 and EN068 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-5-[3-[(2R)-morpholin-2-yl]phenyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | | 著者 | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | | 登録日 | 2021-08-19 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.427 Å) | | 主引用文献 | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
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7PIG
 | | Protein kinase A catalytic subunit in complex with PKI5-24 and EN088 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-azanyl-2-chloranyl-3-[(Z)-piperidin-3-ylidenemethyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | | 著者 | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | | 登録日 | 2021-08-19 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.553 Å) | | 主引用文献 | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
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3E8Q
 | | X-ray structure of rat arginase I-T135A: the unliganded complex | | 分子名称: | Arginase-1, MANGANESE (II) ION | | 著者 | Shishova, E.Y, Di Costanzo, L, Emig, F.A, Ash, D.E, Christianson, D.W. | | 登録日 | 2008-08-20 | | 公開日 | 2008-12-02 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Probing the specificity determinants of amino acid recognition by arginase.
Biochemistry, 48, 2009
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4OX2
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7QET
 | | human Connexin 26 dodecamer at 20mmHg PCO2, pH7.4 | | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | | 著者 | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | | 登録日 | 2021-12-03 | | 公開日 | 2022-03-30 | | 最終更新日 | 2022-05-18 | | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | | 主引用文献 | Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
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7QEW
 | | human Connexin 26 class 2 hexamer at 90mmHg PCO2, pH7.4 | | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | | 著者 | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | | 登録日 | 2021-12-03 | | 公開日 | 2022-03-30 | | 最終更新日 | 2022-05-18 | | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | | 主引用文献 | Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
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7QER
 | | human Connexin 26 dodecamer at 55mm Hg PCO2, pH7.4 | | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | | 著者 | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | | 登録日 | 2021-12-03 | | 公開日 | 2022-03-30 | | 最終更新日 | 2022-05-18 | | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | | 主引用文献 | Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
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7QEQ
 | | human Connexin 26 dodecamer at 90mmHg PCO2, pH7.4 | | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | | 著者 | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | | 登録日 | 2021-12-03 | | 公開日 | 2022-03-30 | | 最終更新日 | 2022-05-18 | | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | | 主引用文献 | Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
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7ZK4
 | | The ABCB1 L335C mutant (mABCB1) in the outward facing state | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, CHOLESTEROL HEMISUCCINATE, ... | | 著者 | Parey, K, Januliene, D, Gewering, T, Moeller, A. | | 登録日 | 2022-04-12 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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7ZK6
 | | ABCB1 L335C mutant (mABCB1) in the outward facing state bound to 2 molecules of AAC | | 分子名称: | (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Parey, K, Januliene, D, Gewering, T, Moeller, A. | | 登録日 | 2022-04-12 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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7ZKA
 | | ABCB1 V978C mutant (mABCB1) in the outward facing state bound to AAC | | 分子名称: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... | | 著者 | Parey, K, Januliene, D, Gewering, T, Urbatsch, I, Zhang, Q, Moeller, A. | | 登録日 | 2022-04-12 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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7ZK9
 | | ABCB1 L971C mutant (mABCB1) in the inward facing state | | 分子名称: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1 | | 著者 | Parey, K, Januliene, D, Gewering, T, Zhang, Q, Moeller, A. | | 登録日 | 2022-04-12 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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7ZK5
 | | ABCB1 L335C mutant (mABCB1) in the outward facing state bound to AAC | | 分子名称: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... | | 著者 | Parey, K, Januliene, D, Gewering, T, Moeller, A. | | 登録日 | 2022-04-12 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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7ZKB
 | | ABCB1 V978C mutant (mABCB1) in the inward facing state | | 分子名称: | (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1 | | 著者 | Parey, K, Januliene, D, Gewering, T, Moeller, A. | | 登録日 | 2022-04-12 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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7ZK8
 | | ABCB1 L971C mutant (mABCB1) in the outward facing state bound to AAC | | 分子名称: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... | | 著者 | Parey, K, Januliene, D, Gewering, T, Moeller, A. | | 登録日 | 2022-04-12 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
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4Q9H
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