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6K31
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BU of 6k31 by Molmil
Crystal structure of pyrophosphate-dependent phosphoenolpyruvate carboxykinase (PPi-PEPCK)
分子名称: AiPEPCK, COBALT (II) ION
著者Chiba, Y, Miyakawa, T, Tanokura, M.
登録日2019-05-15
公開日2019-11-06
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural comparisons of phosphoenolpyruvate carboxykinases reveal the evolutionary trajectories of these phosphodiester energy conversion enzymes.
J.Biol.Chem., 294, 2019
6BDO
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BU of 6bdo by Molmil
Structure of bacterial type II NADH dehydrogenase from Caldalkalibacillus thermarum complexed with a quinone inhibitor HQNO at 2.8A resolution
分子名称: 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, FAD-dependent pyridine nucleotide-disulfide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
著者Cook, G.M, Aragao, D, Nakatani, Y.
登録日2017-10-23
公開日2018-05-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the NDH-2 - HQNO inhibited complex provides molecular insight into quinone-binding site inhibitors.
Biochim. Biophys. Acta, 1859, 2018
7SR8
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BU of 7sr8 by Molmil
Molecular mechanism of the the wake-promoting agent TAK-925
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Hypocretin receptor type 2, ...
著者Yin, J, Chapman, K, Lian, P, De Brabander, J.K, Rosenbaum, D.M.
登録日2021-11-08
公開日2022-06-08
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular mechanism of the wake-promoting agent TAK-925.
Nat Commun, 13, 2022
8T1J
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BU of 8t1j by Molmil
Uncrosslinked nNOS-CaM oxygenase homodimer
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, Nitric oxide synthase 1, ...
著者Lee, K, Pospiech, T.H, Southworth, D.
登録日2023-06-02
公開日2023-11-29
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Mapping interactions of calmodulin and neuronal NO synthase by crosslinking and mass spectrometry.
J.Biol.Chem., 300, 2023
8T1K
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BU of 8t1k by Molmil
DSBU crosslinked nNOS-CaM oxygenase homodimer
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, Nitric oxide synthase 1, ...
著者Lee, K, Pospiech, T.H, Southworth, D.
登録日2023-06-02
公開日2023-11-29
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Mapping interactions of calmodulin and neuronal NO synthase by crosslinking and mass spectrometry.
J.Biol.Chem., 300, 2023
6C4D
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BU of 6c4d by Molmil
Structure based design of RIP1 kinase inhibitors
分子名称: (3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1
著者Saikatendu, K.S, Yoshikawa, M.
登録日2018-01-11
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships.
J. Med. Chem., 61, 2018
6C3E
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BU of 6c3e by Molmil
CRYSTAL STRUCTURE OF RIP1 KINASE BOUND TO INHIBITOR
分子名称: 2-benzyl-5-nitro-1H-benzimidazole, Receptor-interacting serine/threonine-protein kinase 1
著者Saikatendu, K.S, Yoshikawa, M.
登録日2018-01-09
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships.
J. Med. Chem., 61, 2018
8JJS
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BU of 8jjs by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP10343
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAA-ILE-SAR-SAR-7T2-SAR-IAE-LEU-MEA-MLE-7TK, ...
著者Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T.
登録日2023-05-31
公開日2023-07-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.534 Å)
主引用文献Development of Orally Bioavailable Peptides Targeting an Intracellular Protein: From a Hit to a Clinical KRAS Inhibitor.
J.Am.Chem.Soc., 145, 2023
5GSE
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BU of 5gse by Molmil
Crystal structure of unusual nucleosome
分子名称: DNA (250-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者Kato, D, Osakabe, A, Arimura, Y, Park, S.Y, Kurumizaka, H.
登録日2016-08-16
公開日2017-05-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Crystal structure of the overlapping dinucleosome composed of hexasome and octasome
Science, 356, 2017
1JI2
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BU of 1ji2 by Molmil
Improved X-ray Structure of Thermoactinomyces vulgaris R-47 alpha-Amylase 2
分子名称: ALPHA-AMYLASE II, CALCIUM ION
著者Kamitori, S, Abe, A, Ohtaki, A, Kaji, A, Tonozuka, T, Sakano, Y.
登録日2001-06-28
公開日2002-06-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures and structural comparison of Thermoactinomyces vulgaris R-47 alpha-amylase 1 (TVAI) at 1.6 A resolution and alpha-amylase 2 (TVAII) at 2.3 A resolution.
J.Mol.Biol., 318, 2002
6JZW
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BU of 6jzw by Molmil
Crystal structure of SufU from Bacillus subtilis with Cys persulfurated
分子名称: ZINC ION, Zinc-dependent sulfurtransferase SufU
著者Fujishiro, T, Takahashi, Y.
登録日2019-05-04
公開日2020-05-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Cysteine-Persulfide Sulfane Sulfur-Ligated Zn Complex of Sulfur-Carrying SufU in the SufCDSUB System for Fe-S Cluster Biosynthesis.
Inorg.Chem., 2024
6JZV
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BU of 6jzv by Molmil
Crystal structure of SufU from Bacillus subtilis
分子名称: ZINC ION, Zinc-dependent sulfurtransferase SufU
著者Fujishiro, T, Takahashi, Y.
登録日2019-05-04
公開日2020-05-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cysteine-Persulfide Sulfane Sulfur-Ligated Zn Complex of Sulfur-Carrying SufU in the SufCDSUB System for Fe-S Cluster Biosynthesis.
Inorg.Chem., 2024
6IO0
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BU of 6io0 by Molmil
Human IDH1 R132C mutant complexed with compound A.
分子名称: (2E)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1H-indol-7-yl}prop-2-enoic acid, CITRIC ACID, GLYCEROL, ...
著者Suzuki, M, Baba, D, Hanzawa, H.
登録日2018-10-29
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Potent Blood-Brain Barrier-Permeable Mutant IDH1 Inhibitor Suppresses the Growth of Glioblastoma with IDH1 Mutation in a Patient-Derived Orthotopic Xenograft Model.
Mol.Cancer Ther., 19, 2020
7VI0
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BU of 7vi0 by Molmil
Crystal structure of EP300 HAT domain in complex with compound 11
分子名称: (4S)-N-(3H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-1,1-bis(oxidanylidene)-1,3-thiazolidine-4-carboxamide, Histone acetyltransferase p300, ZINC ION
著者Takahashi, M, Hanzawa, H.
登録日2021-09-24
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
7VHZ
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BU of 7vhz by Molmil
Crystal structure of EP300 HAT domain in complex with compound 7
分子名称: (2R)-N-(2H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION
著者Takahashi, M, Hanzawa, H.
登録日2021-09-24
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
7VHY
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BU of 7vhy by Molmil
Crystal structure of EP300 HAT domain in complex with compound (+)-3
分子名称: Histone acetyltransferase p300, ZINC ION, [(6R)-6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
著者Takahashi, M, Hanzawa, H.
登録日2021-09-24
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
1J10
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BU of 1j10 by Molmil
beta-amylase from Bacillus cereus var. mycoides in complex with GGX
分子名称: Beta-amylase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-xylopyranose, ...
著者Oyama, T, Miyake, H, Kusunoki, M, Nitta, Y.
登録日2002-11-25
公開日2003-06-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of beta-Amylase from Bacillus cereus var. mycoides in Complexes with Substrate Analogs and Affinity-Labeling Reagents
J.BIOCHEM.(TOKYO), 133, 2003
1J11
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BU of 1j11 by Molmil
beta-amylase from Bacillus cereus var. mycoides in complex with alpha-EPG
分子名称: (2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside, Beta-amylase, CALCIUM ION
著者Oyama, T, Miyake, H, Kusunoki, M, Nitta, Y.
登録日2002-11-25
公開日2003-06-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of beta-Amylase from Bacillus cereus var. mycoides in Complexes with Substrate Analogs and Affinity-Labeling Reagents
J.BIOCHEM.(TOKYO), 133, 2003
6IWG
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BU of 6iwg by Molmil
Crystal structure of rhesus macaque MHC class I molecule Mamu-B*05104 complexed with N-myristoylated 4-mer lipopeptide derived from SIV nef protein
分子名称: 1,2-ETHANEDIOL, BORIC ACID, Beta-2-microglobulin, ...
著者Yamamoto, Y, Morita, D, Sugita, M.
登録日2018-12-05
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification and Structure of an MHC Class I-Encoded Protein with the Potential to PresentN-Myristoylated 4-mer Peptides to T Cells.
J Immunol., 202, 2019
6IWH
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BU of 6iwh by Molmil
Crystal structure of rhesus macaque MHC class I molecule Mamu-B*05104 complexed with C14-GGGI lipopeptide
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, C14-GGGI lipopeptide, ...
著者Yamamoto, Y, Morita, D, Sugita, M.
登録日2018-12-05
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification and Structure of an MHC Class I-Encoded Protein with the Potential to PresentN-Myristoylated 4-mer Peptides to T Cells.
J Immunol., 202, 2019
5GVI
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BU of 5gvi by Molmil
Zebrafish USP30 in complex with Lys6-linked diubiquitin
分子名称: Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION, ubiquitin
著者Sato, Y, Fukai, S.
登録日2016-09-05
公開日2017-09-13
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural basis for specific cleavage of Lys6-linked polyubiquitin chains by USP30
Nat. Struct. Mol. Biol., 24, 2017
3E85
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BU of 3e85 by Molmil
Crystal Structure of Pathogenesis-related Protein LlPR-10.2B from yellow lupine in complex with Diphenylurea
分子名称: 1,3-DIPHENYLUREA, PR10.2B, SODIUM ION
著者Fernandes, H.C, Bujacz, G, Bujacz, A, Sikorski, M.M, Jaskolski, M.
登録日2008-08-19
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Cytokinin-induced structural adaptability of a Lupinus luteus PR-10 protein.
Febs J., 276, 2009
3VQT
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BU of 3vqt by Molmil
Crystal structure analysis of the translation factor RF3
分子名称: GUANOSINE-5'-DIPHOSPHATE, Peptide chain release factor 3
著者Kihira, K, Shomura, Y, Shibata, N, Kitamura, M, Higuchi, Y.
登録日2012-03-30
公開日2012-09-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure analysis of the translation factor RF3 (release factor 3)
Febs Lett., 586, 2012
3IE5
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BU of 3ie5 by Molmil
Crystal structure of Hyp-1 protein from Hypericum perforatum (St John's wort) involved in hypericin biosynthesis
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Michalska, K, Fernandes, H, Sikorski, M.M, Jaskolski, M.
登録日2009-07-22
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.688 Å)
主引用文献Crystal structure of Hyp-1, a St. John's wort protein implicated in the biosynthesis of hypericin
J.Struct.Biol., 169, 2010
3VR1
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BU of 3vr1 by Molmil
Crystal structure analysis of the translation factor RF3
分子名称: GUANOSINE-5',3'-TETRAPHOSPHATE, Peptide chain release factor 3
著者Kihira, K, Shomura, Y, Shibata, N, Kitamura, M, Higuchi, Y.
登録日2012-04-03
公開日2012-09-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure analysis of the translation factor RF3 (release factor 3)
Febs Lett., 586, 2012

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