8E2W
 
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7VGU
 | | Time-resolved serial femtosecond crystallography structure of light-driven chloride ion-pumping rhodopsin, NM-R3 : structure obtained 1 msec after photoexcitation with bromide ion | | 分子名称: | BROMIDE ION, Chloride pumping rhodopsin, DECANE, ... | | 著者 | Hosaka, T, Nango, E, Nakane, T, Luo, F, Kimura-Someya, T, Shirouzu, M. | | 登録日 | 2021-09-18 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Conformational alterations in unidirectional ion transport of a light-driven chloride pump revealed using X-ray free electron lasers.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7VGT
 | | Time-resolved serial femtosecond crystallography structure of light-driven chloride ion-pumping rhodopsin, NM-R3: resting state structure with bromide ion | | 分子名称: | BROMIDE ION, Chloride pumping rhodopsin, DECANE, ... | | 著者 | Hosaka, T, Nango, E, Nakane, T, Luo, F, Kimura-Someya, T, Shirouzu, M. | | 登録日 | 2021-09-18 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Conformational alterations in unidirectional ion transport of a light-driven chloride pump revealed using X-ray free electron lasers.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7VGV
 | | Anion free form of light-driven chloride ion-pumping rhodopsin, NM-R3, structure determined by serial femtosecond crystallography at SACLA | | 分子名称: | CHLORIDE ION, Chloride pumping rhodopsin, HEXADECANE, ... | | 著者 | Hosaka, T, Nango, E, Nakane, T, Luo, F, Kimura-Someya, T, Shirouzu, M. | | 登録日 | 2021-09-18 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Conformational alterations in unidirectional ion transport of a light-driven chloride pump revealed using X-ray free electron lasers.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5UMK
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5V2N
 | | Crystal Structure of APO Human SETD8 | | 分子名称: | 1,2-ETHANEDIOL, N-lysine methyltransferase KMT5A | | 著者 | Skene, R.J. | | 登録日 | 2017-03-05 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
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5UMJ
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4HSG
 | | Crystal structure of human PRMT3 in complex with an allosteric inhibitor (PRMT3- KTD) | | 分子名称: | 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea, PRMT3 protein, UNKNOWN ATOM OR ION | | 著者 | Dobrovetsky, E, Dong, A, Liu, F, Li, F, Tempel, W, Siarheyeva, A, Hajian, T, Smil, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | | 登録日 | 2012-10-30 | | 公開日 | 2012-12-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Exploiting an allosteric binding site of PRMT3 yields potent and selective inhibitors.
J. Med. Chem., 56, 2013
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8EL0
 | | Structure of MBP-Mcl-1 in complex with a macrocyclic compound | | 分子名称: | (7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Judge, R.A, Judd, A.S, Souers, A.J. | | 登録日 | 2022-09-22 | | 公開日 | 2023-10-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.917 Å) | | 主引用文献 | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients.
Commun Med (Lond), 3, 2023
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8EL1
 | | Structure of MBP-Mcl-1 in complex with ABBV-467 | | 分子名称: | (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Judge, R.A, Judd, A.S, Souers, A.J. | | 登録日 | 2022-09-22 | | 公開日 | 2023-10-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.406 Å) | | 主引用文献 | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients.
Commun Med (Lond), 3, 2023
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8EKX
 | | Structure of MBP-Mcl-1 in complex with MIK665 | | 分子名称: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Judge, R.A, Judd, A.S, Souers, A.J. | | 登録日 | 2022-09-22 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients.
Commun Med (Lond), 3, 2023
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8F2P
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6URC
 | | Crystal structure of IRE1a in complex with compound 18 | | 分子名称: | 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide, GLYCEROL, Serine/threonine-protein kinase/endoribonuclease IRE1 | | 著者 | Wallweber, H.H, Wang, W. | | 登録日 | 2019-10-23 | | 公開日 | 2019-11-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Disruption of IRE1 alpha through its kinase domain attenuates multiple myeloma.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6GA0
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5UU1
 | | Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to BI-D1870 | | 分子名称: | (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase VRK2 | | 著者 | Counago, R.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC) | | 登録日 | 2017-02-15 | | 公開日 | 2017-03-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
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5UVF
 | | Crystal Structure of the Human vaccinia-related kinase bound to BI-D1870 | | 分子名称: | (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Counago, R.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC) | | 登録日 | 2017-02-20 | | 公開日 | 2017-03-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
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5UKF
 | | Crystal Structure of the Human Vaccinia-related Kinase 1 Bound to an Oxindole Inhibitor | | 分子名称: | 4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Counago, R.M, Wells, C, Zuercher, W, Willson, T.M, Bountra, C, Edwards, A.M, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | | 登録日 | 2017-01-22 | | 公開日 | 2017-03-29 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
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6W3K
 | | Structure of unphosphorylated human IRE1 bound to G-9807 | | 分子名称: | 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one, Serine/threonine-protein kinase/endoribonuclease IRE1 | | 著者 | Lammens, A, Wang, W, Ferri, E, Rudolph, J. | | 登録日 | 2020-03-09 | | 公開日 | 2020-12-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
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8AJZ
 | | Serial femtosecond crystallography structure of CO bound ba3- type cytochrome c oxidase at 2 milliseconds after irradiation by a 532 nm laser | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ... | | 著者 | Safari, C, Ghosh, S, Andersson, R, Johannesson, J, Donoso, A.V, Bath, P, Bosman, R, Dahl, P, Nango, E, Tanaka, R, Zoric, D, Svensson, E, Nakane, T, Iwata, S, Neutze, R, Branden, G. | | 登録日 | 2022-07-29 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase.
Sci Adv, 9, 2023
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6OCN
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5Y5F
 | | Structure of cytochrome P450nor in NO-bound state: damaged by low-dose (0.72 MGy) X-ray | | 分子名称: | GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ... | | 著者 | Tosha, T, Nomura, T, Nishida, T, Ueno, G, Murakami, H, Yamashita, K, Hirata, K, Yamamoto, M, Ago, H, Sugimoto, H, Shiro, Y, Kubo, M. | | 登録日 | 2017-08-09 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
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5Y5G
 | | Structure of cytochrome P450nor in NO-bound state: damaged by high-dose (5.7 MGy) X-ray | | 分子名称: | GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ... | | 著者 | Tosha, T, Nomura, T, Nishida, T, Ueno, G, Murakami, H, Yamashita, K, Hirata, K, Yamamoto, M, Ago, H, Sugimoto, H, Shiro, Y, Kubo, M. | | 登録日 | 2017-08-09 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
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6W3B
 | | Structure of apo unphosphorylated IRE1 | | 分子名称: | Serine/threonine-protein kinase/endoribonuclease IRE1 | | 著者 | Wallweber, H, Mortara, K, Ferri, E, Rudolph, J, Wang, W. | | 登録日 | 2020-03-09 | | 公開日 | 2020-12-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
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6W3C
 | | Structure of phosphorylated apo IRE1 | | 分子名称: | Serine/threonine-protein kinase/endoribonuclease IRE1 | | 著者 | Wallweber, H, Mortara, K, Ferri, E, Wang, W, Rudolph, J. | | 登録日 | 2020-03-09 | | 公開日 | 2020-12-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
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4YUB
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