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8SD4
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BU of 8sd4 by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 7
分子名称: (S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者Kadam, R.U, Zhu, X, Wilson, I.A.
登録日2023-04-06
公開日2024-06-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SD2
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BU of 8sd2 by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 4
分子名称: (S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride, 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Kadam, R.U, Zhu, X.Y, Wilson, I.A.
登録日2023-04-06
公開日2024-06-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
7D45
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BU of 7d45 by Molmil
eIF2B-eIF2(aP), aP1 complex
分子名称: Eukaryotic translation initiation factor 2 subunit 1, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ...
著者Kashiwagi, K, Ito, T.
登録日2020-09-22
公開日2020-12-09
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献ISRIB Blunts the Integrated Stress Response by Allosterically Antagonising the Inhibitory Effect of Phosphorylated eIF2 on eIF2B.
Mol.Cell, 81, 2021
8T8A
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BU of 8t8a by Molmil
Structure of arginine oxidase from Pseudomonas sp. TRU 7192
分子名称: Amine oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
著者Takahashi, K, Yamaguchi, H, Tatsumi, M, Sugiki, M.
登録日2023-06-22
公開日2024-06-26
最終更新日2025-01-15
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Open and closed structures of L-arginine oxidase by cryo-electron microscopy and X-ray crystallography.
J.Biochem., 177, 2025
7D44
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BU of 7d44 by Molmil
eIF2B-eIF2(aP), aP2 complex
分子名称: Eukaryotic translation initiation factor 2 subunit 1, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ...
著者Kashiwagi, K, Ito, T.
登録日2020-09-22
公開日2020-12-09
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献ISRIB Blunts the Integrated Stress Response by Allosterically Antagonising the Inhibitory Effect of Phosphorylated eIF2 on eIF2B.
Mol.Cell, 81, 2021
7D46
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BU of 7d46 by Molmil
eIF2B apo
分子名称: Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, Translation initiation factor eIF-2B subunit delta, ...
著者Kashiwagi, K, Ito, T.
登録日2020-09-22
公開日2020-12-09
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献ISRIB Blunts the Integrated Stress Response by Allosterically Antagonising the Inhibitory Effect of Phosphorylated eIF2 on eIF2B.
Mol.Cell, 81, 2021
7D43
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BU of 7d43 by Molmil
eIF2B-eIF2(aP), aPg complex
分子名称: Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 2, Eukaryotic translation initiation factor 2 subunit 3, ...
著者Kashiwagi, K, Ito, T.
登録日2020-09-22
公開日2020-12-09
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献ISRIB Blunts the Integrated Stress Response by Allosterically Antagonising the Inhibitory Effect of Phosphorylated eIF2 on eIF2B.
Mol.Cell, 81, 2021
5X6C
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BU of 5x6c by Molmil
Crystal structure of SepRS-SepCysE from Methanocaldococcus jannaschii
分子名称: ADENOSINE-5'-TRIPHOSPHATE, O-phosphoserine--tRNA(Cys) ligase, SULFATE ION, ...
著者Chen, M, Kato, K, Yao, M.
登録日2017-02-21
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Structural basis for tRNA-dependent cysteine biosynthesis
Nat Commun, 8, 2017
5X6B
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BU of 5x6b by Molmil
Crystal structure of SepCysE-SepCysS in complex with tRNACys from Methanocaldococcus jannaschii
分子名称: O-phospho-L-seryl-tRNA:Cys-tRNA synthase, Uncharacterized protein MJ1481, tRNACys
著者Chen, M, Kato, K, Yao, M.
登録日2017-02-21
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Structural basis for tRNA-dependent cysteine biosynthesis
Nat Commun, 8, 2017
5TX5
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BU of 5tx5 by Molmil
Rip1 Kinase ( flag 1-294, C34A, C127A, C233A, C240A) with GSK772
分子名称: 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
著者Campobasso, N, Ward, P, Thrope, J.
登録日2016-11-15
公開日2017-07-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases.
J. Med. Chem., 60, 2017
8VQQ
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BU of 8vqq by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
著者Lin, T.H, Zhu, Y, Wilson, I.A.
登録日2024-01-19
公開日2024-06-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8VQN
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BU of 8vqn by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R
分子名称: (S~1~S,3R)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者Lin, T.H, Zhu, Y, Wilson, I.A.
登録日2024-01-18
公開日2024-06-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8VQM
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BU of 8vqm by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R prime
分子名称: (S~1~S,3R)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 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Lin, T.H, Zhu, Y, Wilson, I.A.
登録日2024-01-18
公開日2024-06-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8VQL
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BU of 8vql by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S prime
分子名称: (S~1~S,3S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 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Lin, T.H, Zhu, Y, Wilson, I.A.
登録日2024-01-18
公開日2024-06-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
4TTH
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BU of 4tth by Molmil
Crystal structure of a CDK6/Vcyclin complex with inhibitor bound
分子名称: 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6
著者Piper, D.E, Walker, N, Wang, Z.
登録日2014-06-20
公開日2014-08-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.
J.Med.Chem., 57, 2014
8IL8
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BU of 8il8 by Molmil
Crystal structure of Pyruvic Oxime Dioxygenase (POD) from Alcaligenes faecalis
分子名称: Aldolase, FE (II) ION
著者Tsujino, S, Yamada, Y, Fujiwara, T.
登録日2023-03-03
公開日2024-03-06
最終更新日2025-03-05
実験手法X-RAY DIFFRACTION (1.769 Å)
主引用文献Structural characterization of pyruvic oxime dioxygenase, a key enzyme in heterotrophic nitrification.
J.Bacteriol., 207, 2025
8IX6
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BU of 8ix6 by Molmil
Crystal structure of Pyruvic Oxime Dioxygenase (POD) from Bradyrhizobium sp. WSM3983
分子名称: Aldolase, NICKEL (II) ION, SULFATE ION
著者Tsujino, S, Yamada, Y, Fujiwara, T.
登録日2023-03-31
公開日2024-04-03
最終更新日2025-03-05
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Structural characterization of pyruvic oxime dioxygenase, a key enzyme in heterotrophic nitrification.
J.Bacteriol., 207, 2025
8IQA
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BU of 8iqa by Molmil
Crystal structure of Pyruvic Oxime Dioxygenase (POD) from Alcaligenes faecalis deleted N-terminal 18 residues
分子名称: Aldolase, NICKEL (II) ION
著者Tsujino, S, Yamada, Y, Fujiwara, T.
登録日2023-03-16
公開日2024-03-20
最終更新日2025-03-05
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Structural characterization of pyruvic oxime dioxygenase, a key enzyme in heterotrophic nitrification.
J.Bacteriol., 207, 2025
6IP5
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BU of 6ip5 by Molmil
Cryo-EM structure of the CMV-stalled human 80S ribosome (Structure ii)
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
著者Yokoyama, T, Shigematsu, H, Shirouzu, M, Imataka, H, Ito, T.
登録日2018-11-02
公開日2019-05-29
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献HCV IRES Captures an Actively Translating 80S Ribosome.
Mol.Cell, 74, 2019
8KDX
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BU of 8kdx by Molmil
Tau-S214 Phosphorylation Inhibits Fyn Kinase Interaction and Increases the Decay Time of NMDAR-mediated Current
分子名称: Microtubule-associated protein tau, Tyrosine-protein kinase Fyn
著者Padavattan, S, Jos, S.
登録日2023-08-10
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Tau-S214 Phosphorylation Inhibits Fyn Kinase Interaction and Increases the Decay Time of NMDAR-mediated Current.
J.Mol.Biol., 436, 2024
6IP8
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BU of 6ip8 by Molmil
Cryo-EM structure of the HCV IRES dependently initiated CMV-stalled 80S ribosome (Structure iv)
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
著者Yokoyama, T, Shigematsu, H, Shirouzu, M, Imataka, H, Ito, T.
登録日2018-11-02
公開日2019-05-29
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献HCV IRES Captures an Actively Translating 80S Ribosome.
Mol.Cell, 74, 2019
6IP6
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BU of 6ip6 by Molmil
Cryo-EM structure of the CMV-stalled human 80S ribosome with HCV IRES (Structure iii)
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
著者Yokoyama, T, Shigematsu, H, Shirouzu, M, Imataka, H, Ito, T.
登録日2018-11-02
公開日2019-05-29
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献HCV IRES Captures an Actively Translating 80S Ribosome.
Mol.Cell, 74, 2019
8ITH
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BU of 8ith by Molmil
Crystal structure of lasso peptide epimerase MslH H295N
分子名称: CALCIUM ION, GLYCEROL, Poly-gamma-glutamate synthesis protein (Capsule biosynthesis protein)
著者Nakashima, Y, Hiroyuki, M.
登録日2023-03-22
公開日2023-06-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of lasso peptide epimerase MslH reveals metal-dependent acid/base catalytic mechanism.
Nat Commun, 14, 2023
8ITG
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BU of 8itg by Molmil
Crystal structure of lasso peptide epimerase MslH in complexed with precursor peptide variant MslAW21G
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Poly-gamma-glutamate synthesis protein (Capsule biosynthesis protein), ...
著者Nakashima, Y, Hiroyuki, M.
登録日2023-03-22
公開日2023-06-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of lasso peptide epimerase MslH reveals metal-dependent acid/base catalytic mechanism.
Nat Commun, 14, 2023
4KSP
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BU of 4ksp by Molmil
Crystal Structure of Human B-raf bound to a DFG-out Inhibitor TAK-632
分子名称: N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide, Serine/threonine-protein kinase B-raf
著者Yano, J.K, Masanori, O.
登録日2013-05-17
公開日2013-07-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Discovery of a Selective Kinase Inhibitor (TAK-632) Targeting Pan-RAF Inhibition: Design, Synthesis, and Biological Evaluation of C-7-Substituted 1,3-Benzothiazole Derivatives.
J.Med.Chem., 56, 2013

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件を2025-07-09に公開中

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