5AX3
 
 | | Crystal structure of ERK2 complexed with allosteric and ATP-competitive inhibitors. | | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Mitogen-activated protein kinase 1, allosteric and ATP-competitive inhibitor | | 著者 | Kinoshita, T, Sugiyama, H, Mori, Y, Takahashi, N, Tomonaga, A. | | 登録日 | 2015-07-14 | | 公開日 | 2016-02-10 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.984 Å) | | 主引用文献 | Identification of allosteric ERK2 inhibitors through in silico biased screening and competitive binding assay
Bioorg.Med.Chem.Lett., 26, 2016
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7UHG
 | | Human L-type voltage-gated calcium channel Cav1.3 at 3.0 Angstrom resolution | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Gao, S, Yao, X, Yan, N. | | 登録日 | 2022-03-26 | | 公開日 | 2022-05-11 | | 最終更新日 | 2022-10-12 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural basis for pore blockade of human voltage-gated calcium channel Ca v 1.3 by motion sickness drug cinnarizine.
Cell Res., 32, 2022
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5JW9
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5FPP
 | | Structure of a pre-reaction ternary complex between sarin- acetylcholinesterase and HI-6 | | 分子名称: | 2-(2-ETHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | | 著者 | Allgardsson, A, Berg, L, Akfur, C, Hornberg, A, Worek, F, Linusson, A, Ekstrom, F. | | 登録日 | 2015-12-02 | | 公開日 | 2016-05-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure of a Prereaction Complex between the Nerve Agent Sarin, its Biological Target Acetylcholinesterase, and the Antidote Hi-6.
Proc.Natl.Acad.Sci.USA, 113, 2016
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7UG7
 | | 70S ribosome complex in an intermediate state of translocation bound to EF-G(GDP) stalled by Argyrin B | | 分子名称: | 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ... | | 著者 | Rundlet, E.J, Wieland, M, Holm, M, Koller, T.O, Blanchard, S.C, Wilson, D.N. | | 登録日 | 2022-03-24 | | 公開日 | 2022-05-18 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.58 Å) | | 主引用文献 | The cyclic octapeptide antibiotic argyrin B inhibits translation by trapping EF-G on the ribosome during translocation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5K0J
 | | Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ... | | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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5K03
 | | Crystal Structure of COMT in complex with 2,6-dimethyl-3-(1H-pyrazol-3-yl)imidazo[1,2-a]pyridine | | 分子名称: | 2,6-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine, Catechol O-methyltransferase, POTASSIUM ION | | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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5K0N
 | | Crystal Structure of COMT in complex with 4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-1,3-dimethylpyrazole | | 分子名称: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole, ... | | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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5EHN
 | | mAChE-syn TZ2PA5 complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine, Acetylcholinesterase, ... | | 著者 | Bourne, Y, Marchot, P. | | 登録日 | 2015-10-28 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase.
J.Am.Chem.Soc., 138, 2016
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5K36
 | | Structure of an eleven component nuclear RNA exosome complex bound to RNA | | 分子名称: | Exosome complex component CSL4, Exosome complex component MTR3, Exosome complex component RRP4, ... | | 著者 | Lima, C.D, Zinder, J.C. | | 登録日 | 2016-05-19 | | 公開日 | 2016-11-02 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Nuclear RNA Exosome at 3.1 angstrom Reveals Substrate Specificities, RNA Paths, and Allosteric Inhibition of Rrp44/Dis3.
Mol.Cell, 64, 2016
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6NTG
 | | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-234 in Complex with Reactivator, HI-6 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | | 著者 | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | | 登録日 | 2019-01-29 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.652 Å) | | 主引用文献 | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents
To Be Published
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7BET
 | | Structure of Ribonucleotide reductase R2 from Escherichia coli collected by femtosecond serial crystallography on a COC membrane | | 分子名称: | FE (III) ION, Ribonucleoside-diphosphate reductase 1 subunit beta | | 著者 | Aurelius, O, John, J, Martiel, I, Marsh, M, Vera, L, Huang, C.Y, Olieric, V, Leonarski, P, Nass, K, Padeste, C, Karpik, A, Hogbom, M, Wang, M, Pedrini, B. | | 登録日 | 2020-12-24 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL
To Be Published
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5EJX
 | | X-ray Free Electron Laser Structure of Cytochrome C Peroxidase | | 分子名称: | Cytochrome c peroxidase, mitochondrial, PHOSPHATE ION, ... | | 著者 | Doukov, T, Soltis, S.M, Baxter, E.L, Cohen, A, Song, J, McPhillips, S, Poulos, T.L, Meharenna, Y.T, Chreifi, G. | | 登録日 | 2015-11-02 | | 公開日 | 2016-01-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal structure of the pristine peroxidase ferryl center and its relevance to proton-coupled electron transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6NTN
 | | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-230 in Complex with the Reactivator, HI-6 | | 分子名称: | (S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | | 登録日 | 2019-01-29 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.697 Å) | | 主引用文献 | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents
To Be Published
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6NUA
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5JU8
 | | Cryo-EM structure of an ErmBL-stalled ribosome in complex with P-, and E-tRNA | | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | 著者 | Arenz, S, Bock, L.V, Graf, M, Innis, C.A, Beckmann, R, Grubmueller, H, Vaiana, A.C, Wilson, D.N. | | 登録日 | 2016-05-10 | | 公開日 | 2016-07-20 | | 最終更新日 | 2019-12-11 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | A combined cryo-EM and molecular dynamics approach reveals the mechanism of ErmBL-mediated translation arrest.
Nat Commun, 7, 2016
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5EN0
 | | Crystal Structure of T94I rhodopsin mutant | | 分子名称: | ACETATE ION, Guanine nucleotide-binding protein G(t) subunit alpha-3, PALMITIC ACID, ... | | 著者 | Singhal, A, Guo, Y, Matkovic, M, Schertler, G, Deupi, X, Yan, E, Standfuss, J. | | 登録日 | 2015-11-08 | | 公開日 | 2016-08-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Structural role of the T94I rhodopsin mutation in congenital stationary night blindness.
Embo Rep., 17, 2016
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5K0C
 | | Crystal Structure of COMT in complex with 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole | | 分子名称: | 1,2-ETHANEDIOL, 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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5K0G
 | | Crystal Structure of COMT in complex with 4-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1,3-dimethylpyrazole | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-[(1S)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole, Catechol O-methyltransferase, ... | | 著者 | Ehler, A, rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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5EHZ
 | | mAChE-syn TZ2PA5 complex from an equimolar mixture of the syn/anti isomers | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine, Acetylcholinesterase, ... | | 著者 | Bourne, Y, Marchot, P. | | 登録日 | 2015-10-29 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase.
J.Am.Chem.Soc., 138, 2016
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7UK5
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5FUO
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6LZ0
 | | Cryo-EM structure of human MCT1 in complex with Basigin-2 in the presence of lactate | | 分子名称: | (2S)-2-HYDROXYPROPANOIC ACID, Basigin, Monocarboxylate transporter 1 | | 著者 | Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C. | | 登録日 | 2020-02-16 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates.
Cell, 184, 2021
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7UNG
 | | 48-nm repeat of the human respiratory doublet microtubule | | 分子名称: | Cilia- and flagella-associated protein 161, Cilia- and flagella-associated protein 20, Cilia- and flagella-associated protein 45, ... | | 著者 | Gui, M, Croft, J.T, Zabeo, D, Acharya, V, Kollman, J.M, Burgoyne, T, Hoog, J.L, Brown, A. | | 登録日 | 2022-04-11 | | 公開日 | 2022-10-05 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | SPACA9 is a lumenal protein of human ciliary singlet and doublet microtubules.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5FM9
 | | human Notch 1, EGF 4-7 | | 分子名称: | CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 | | 著者 | Weisshuhn, P.C, Sheppard, D, Taylor, P, Whiteman, P, Lea, S.M, Handford, P.A, Redfield, C. | | 登録日 | 2015-11-02 | | 公開日 | 2016-04-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | | 主引用文献 | Non-Linear and Flexible Regions of the Human Notch1 Extracellular Domain Revealed by High-Resolution Structural Studies.
Structure, 24, 2016
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