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4GMY
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BU of 4gmy by Molmil
JAK2 kinase (JH1 domain) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE
分子名称: 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Tyrosine-protein kinase JAK2
著者Murray, J.M, Shia, S.
登録日2012-08-16
公開日2013-06-19
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
8WGT
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BU of 8wgt by Molmil
Crystal structure of V30M-TTR in complex with compound 7
分子名称: Transthyretin, [4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone
著者Yokoyama, T.
登録日2023-09-22
公開日2024-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma.
J.Med.Chem., 67, 2024
8WGS
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BU of 8wgs by Molmil
Crystal structure of V30M-TTR in complex with compound 4
分子名称: Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone
著者Yokoyama, T.
登録日2023-09-22
公開日2024-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma.
J.Med.Chem., 67, 2024
8WGU
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BU of 8wgu by Molmil
Crystal structure of V30M-TTR in complex with compound 20
分子名称: Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-[2-ethyl-4,7-bis(fluoranyl)-1-benzofuran-3-yl]methanone
著者Yokoyama, T.
登録日2023-09-22
公開日2024-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.508 Å)
主引用文献Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma.
J.Med.Chem., 67, 2024
4PPH
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BU of 4pph by Molmil
Crystal structure of conglutin gamma, a unique basic 7S globulin from lupine seeds
分子名称: 1,2-ETHANEDIOL, 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Czubinski, J, Barciszewski, J, Gilski, M, Lampart-Szczapa, E, Jaskolski, M.
登録日2014-02-27
公開日2015-02-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.009 Å)
主引用文献Structure of gamma-conglutin: insight into the quaternary structure of 7S basic globulins from legumes.
Acta Crystallogr.,Sect.D, 71, 2015
4I4F
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BU of 4i4f by Molmil
Structure of Focal Adhesion Kinase catalytic domain in complex with an allosteric binding pyrazolobenzothiazine compound.
分子名称: Focal adhesion kinase 1, ISOPROPYL ALCOHOL, N-(4-tert-butylbenzyl)-1,5-dimethyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide
著者Skene, R.J, Hosfield, D.J.
登録日2012-11-27
公開日2013-02-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-based discovery of cellular-active allosteric inhibitors of FAK.
Bioorg.Med.Chem.Lett., 23, 2013
5AWG
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BU of 5awg by Molmil
Crystal structure of Hg-bound SufB-SufC-SufD complex from Escherichia coli
分子名称: FeS cluster assembly protein SufB, FeS cluster assembly protein SufD, MERCURY (II) ION, ...
著者Hirabayashi, K, Wada, K.
登録日2015-07-03
公開日2015-11-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (4.278 Å)
主引用文献Functional Dynamics Revealed by the Structure of the SufBCD Complex, a Novel ATP-binding Cassette (ABC) Protein That Serves as a Scaffold for Iron-Sulfur Cluster Biogenesis
J.Biol.Chem., 290, 2015
4I4E
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BU of 4i4e by Molmil
Structure of Focal Adhesion Kinase catalytic domain in complex with hinge binding pyrazolobenzothiazine compound.
分子名称: Focal adhesion kinase 1, [4-(2-hydroxyethyl)piperidin-1-yl][4-(5-methyl-4,4-dioxido-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-yl)phenyl]methanone
著者Skene, R.J, Hosfield, D.J.
登録日2012-11-27
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-based discovery of cellular-active allosteric inhibitors of FAK.
Bioorg.Med.Chem.Lett., 23, 2013
1IX4
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BU of 1ix4 by Molmil
Crystal Structure of Rat Heme Oxygenase-1 in complex with Heme bound to Carbon Monoxide
分子名称: CARBON MONOXIDE, HEME OXYGENASE-1, PROTOPORPHYRIN IX CONTAINING FE
著者Sugishima, M, Sakamoto, H, Omata, Y, Hayashi, S, Noguchi, M, Fukuyama, K.
登録日2002-06-10
公開日2003-09-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of Ferrous and CO-, CN(-)-, and NO-Bound Forms of Rat Heme Oxygenase-1 (HO-1) in Complex with Heme: Structural Implications for Discrimination between CO and O(2) in HO-1.
Biochemistry, 42, 2003
1ARP
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BU of 1arp by Molmil
Crystal structure of the fungal peroxidase from Arthromyces ramosus at 1.9 angstroms resolution: structural comparisons with the lignin and cytochrome C peroxidases
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PEROXIDASE, ...
著者Kunishima, N, Fukuyama, K.
登録日1993-06-18
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the fungal peroxidase from Arthromyces ramosus at 1.9 A resolution. Structural comparisons with the lignin and cytochrome c peroxidases.
J.Mol.Biol., 235, 1994
1IX3
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BU of 1ix3 by Molmil
Crystal Structure of Rat Heme Oxygenase-1 in complex with Heme bound to Cyanide
分子名称: CYANIDE ION, HEME OXYGENASE-1, PROTOPORPHYRIN IX CONTAINING FE
著者Sugishima, M, Sakamoto, H, Omata, Y, Hayashi, S, Noguchi, M, Fukuyama, K.
登録日2002-06-10
公開日2003-09-02
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 Ferrous and CO-, CN(-)-, and NO-Bound Forms of Rat Heme Oxygenase-1 (HO-1) in Complex with Heme: Structural Implications for Discrimination between CO and O(2) in HO-1.
Biochemistry, 42, 2003
1EHG
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BU of 1ehg by Molmil
CRYSTAL STRUCTURES OF CYTOCHROME P450NOR AND ITS MUTANTS (SER286 VAL, THR) IN THE FERRIC RESTING STATE AT CRYOGENIC TEMPERATURE: A COMPARATIVE ANALYSIS WITH MONOOXYGENASE CYTOCHROME P450S
分子名称: CYTOCHROME P450NOR, PROTOPORPHYRIN IX CONTAINING FE
著者Shimizu, H, Park, S.
登録日2000-02-21
公開日2000-08-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of cytochrome P450nor and its mutants (Ser286-->Val, Thr) in the ferric resting state at cryogenic temperature: a comparative analysis with monooxygenase cytochrome P450s.
J.Inorg.Biochem., 81, 2000
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
1IDZ
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BU of 1idz by Molmil
STRUCTURE OF MYB TRANSFORMING PROTEIN, NMR, 20 STRUCTURES
分子名称: MOUSE C-MYB DNA-BINDING DOMAIN REPEAT 3
著者Furukawa, K, Oda, M, Nakamura, H.
登録日1996-08-15
公開日1996-12-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A small engineered protein lacks structural uniqueness by increasing the side-chain conformational entropy.
Proc.Natl.Acad.Sci.USA, 93, 1996
8IHL
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BU of 8ihl by Molmil
Overlapping tri-nucleosome
分子名称: DNA (353-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者Nishimura, M, Fujii, T, Tanaka, H, Maehara, K, Nozawa, K, Takizawa, Y, Ohkawa, Y, Kurumizaka, H.
登録日2023-02-23
公開日2024-01-17
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (7.64 Å)
主引用文献Genome-wide mapping and cryo-EM structural analyses of the overlapping tri-nucleosome composed of hexasome-hexasome-octasome moieties.
Commun Biol, 7, 2024
1J0Z
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BU of 1j0z by Molmil
Beta-amylase from Bacillus cereus var. mycoides in complex with maltose
分子名称: Beta-amylase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
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 (2.2 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
1J0Y
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BU of 1j0y by Molmil
Beta-amylase from Bacillus cereus var. mycoides in complex with glucose
分子名称: Beta-amylase, CALCIUM ION, beta-D-glucopyranose
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
1IDY
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BU of 1idy by Molmil
STRUCTURE OF MYB TRANSFORMING PROTEIN, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: MOUSE C-MYB DNA-BINDING DOMAIN REPEAT 3
著者Furukawa, K, Oda, M, Nakamura, H.
登録日1996-08-15
公開日1996-12-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A small engineered protein lacks structural uniqueness by increasing the side-chain conformational entropy.
Proc.Natl.Acad.Sci.USA, 93, 1996
1UDM
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BU of 1udm by Molmil
Solution structure of Coactosin-like protein (Cofilin family) from Mus Musculus
分子名称: Coactosin-like protein
著者Goroncy, A.K, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-05-01
公開日2004-05-18
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献NMR solution structures of actin depolymerizing factor homology domains.
Protein Sci., 18, 2009
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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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
1V6F
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Solution Structure of Glia Maturation Factor-beta from Mus Musculus
分子名称: glia maturation factor, beta
著者Goroncy, A.K, Kigawa, T, Koshiba, S, Tomizawa, T, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-11-29
公開日2004-05-29
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献NMR solution structures of actin depolymerizing factor homology domains.
Protein Sci., 18, 2009
4GJ3
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Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
分子名称: 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2
著者Ultsch, M.H.
登録日2012-08-09
公開日2013-05-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
4GII
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Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
分子名称: 2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Non-receptor tyrosine-protein kinase TYK2
著者Ultsch, M.H.
登録日2012-08-08
公開日2013-05-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013

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