7ONJ
 
 | | Mechanosensitive channel MscS solubilized with LMNG in open conformation | | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, Lauryl Maltose Neopentyl Glycol, ... | | 著者 | Rasmussen, T, Flegler, V.J, Boettcher, B. | | 登録日 | 2021-05-25 | | 公開日 | 2021-09-01 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | | 主引用文献 | Mechanosensitive channel gating by delipidation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7ONL
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7OO6
 | | Mechanosensitive channel MscS solubilized with DDM in closed conformation with added lipid | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, DODECYL-BETA-D-MALTOSIDE, Mechanosensitive channel of small conductance (MscS) | | 著者 | Rasmussen, T, Flegler, V.J, Boettcher, B. | | 登録日 | 2021-05-26 | | 公開日 | 2021-09-01 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Mechanosensitive channel gating by delipidation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7OO8
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5TTS
 | | Jak3 with covalent inhibitor 4 | | 分子名称: | 1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, Tyrosine-protein kinase JAK3 | | 著者 | Vajdos, F.F. | | 登録日 | 2016-11-04 | | 公開日 | 2017-02-22 | | 最終更新日 | 2017-03-22 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
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5TTV
 | | Jak3 with covalent inhibitor 6 | | 分子名称: | N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide, Tyrosine-protein kinase JAK3 | | 著者 | Vajdos, F.F. | | 登録日 | 2016-11-04 | | 公開日 | 2017-02-22 | | 最終更新日 | 2017-03-22 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
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6YN9
 | | MALT1(329-728) in complex with a sulfonamide containing compound | | 分子名称: | 5-[4-[(2,6-diethylphenyl)sulfamoyl]-3-methyl-phenyl]furan-3-carboxylic acid, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | | 著者 | Renatus, M. | | 登録日 | 2020-04-11 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.558 Å) | | 主引用文献 | Stabilizing Inactive Conformations of MALT1 as an Effective Approach to Inhibit Its Protease Activity
Advanced Therapeutics, 3, 2020
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4N6Z
 | | Pim1 Complexed with a pyridylcarboxamide | | 分子名称: | 3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide, GLYCEROL, Serine/threonine-protein kinase pim-1 | | 著者 | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | | 登録日 | 2013-10-14 | | 公開日 | 2013-11-06 | | 最終更新日 | 2014-07-02 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
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6YN8
 | | Human MALT1(334-719) in complex with a tetrazole containing compound | | 分子名称: | 3-azanyl-3-methyl-~{N}-[(3~{R})-4-oxidanylidene-5-[[4-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | | 著者 | Renatus, M. | | 登録日 | 2020-04-11 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.052 Å) | | 主引用文献 | Stabilizing Inactive Conformations of MALT1 as an Effective Approach to Inhibit Its Protease Activity
Advanced Therapeutics, 3, 2020
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4N70
 | | Pim1 Complexed with a pyridylcarboxamide | | 分子名称: | N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1 | | 著者 | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | | 登録日 | 2013-10-14 | | 公開日 | 2013-11-06 | | 最終更新日 | 2014-07-02 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
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4N6Y
 | | Pim1 Complexed with a phenylcarboxamide | | 分子名称: | 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1 | | 著者 | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | | 登録日 | 2013-10-14 | | 公開日 | 2013-11-06 | | 最終更新日 | 2014-07-02 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
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5TTU
 | | Jak3 with covalent inhibitor 7 | | 分子名称: | 1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3 | | 著者 | Vajdos, F.F. | | 登録日 | 2016-11-04 | | 公開日 | 2017-02-22 | | 最終更新日 | 2017-03-22 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
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6BBU
 | | Crystal Structure of JAK1 in complex with compound 25 | | 分子名称: | N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK1 | | 著者 | Han, S. | | 登録日 | 2017-10-19 | | 公開日 | 2018-01-17 | | 最終更新日 | 2018-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
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6BBV
 | | Crystal Structure of JAK2 in complex with compound 25 | | 分子名称: | N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK2 | | 著者 | Han, S. | | 登録日 | 2017-10-19 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
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5CGP
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5CFW
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8QQF
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6ZYX
 | | Outer Dynein Arm-Shulin complex - Shulin region from Tetrahymena thermophila | | 分子名称: | Dynein heavy chain, outer arm protein, Dynein intermediate chain 2, ... | | 著者 | Mali, G.R, Abid Ali, F, Lau, C.K, Carter, A.P. | | 登録日 | 2020-08-03 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Shulin packages axonemal outer dynein arms for ciliary targeting.
Science, 371, 2021
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6ZYW
 | | Outer Dynein Arm-Shulin complex - overall structure (Tetrahymena thermophila) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ... | | 著者 | Mali, G.R, Abid Ali, F, Lau, C.K, Carter, A.P. | | 登録日 | 2020-08-03 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (8.78 Å) | | 主引用文献 | Shulin packages axonemal outer dynein arms for ciliary targeting.
Science, 371, 2021
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7PQV
 | | MEK1 IN COMPLEX WITH COMPOUND 7 | | 分子名称: | 8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | | 著者 | Moebitz, H. | | 登録日 | 2021-09-20 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Discovery of MAP855, an Efficacious and Selective MEK1/2 Inhibitor with an ATP-Competitive Mode of Action.
J.Med.Chem., 65, 2022
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6UJ0
 | | Unbound BACE2 mutant structure | | 分子名称: | Beta-secretase 2, unidentified polypeptide | | 著者 | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | | 登録日 | 2019-10-01 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors.
Acs Chem Neurosci, 12, 2021
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6UJ1
 | | BACE2 mutant in complex with a macrocyclic compound | | 分子名称: | (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, Beta-secretase 2 | | 著者 | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | | 登録日 | 2019-10-02 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.03 Å) | | 主引用文献 | A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors.
Acs Chem Neurosci, 12, 2021
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2BEH
 | | Crystal structure of antithrombin variant S137A/V317C/T401C with plasma latent antithrombin | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antithrombin-III, ... | | 著者 | Johnson, D.J, Luis, S.A, Huntington, J.A. | | 登録日 | 2005-10-24 | | 公開日 | 2005-11-01 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of monomeric native antithrombin reveals a novel reactive center loop conformation.
J.Biol.Chem., 281, 2006
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6ZYV
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6NV9
 | | BACE1 in complex with a macrocyclic inhibitor | | 分子名称: | (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, Beta-secretase 1, SULFATE ION | | 著者 | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | | 登録日 | 2019-02-04 | | 公開日 | 2019-10-09 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors.
Biochemistry, 58, 2019
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