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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
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
6MAU
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BU of 6mau by Molmil
Crystal structure of human BRD4(1) in complex with CN210 (compound 19)
分子名称: 1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol, Bromodomain-containing protein 4, GLYCEROL
著者Nadupalli, A, Fontano, E, Connors, C.R, Chan, S.G, Olland, A.M, Lakshminarasimhan, D, White, A, Suto, R.K.
登録日2018-08-28
公開日2019-04-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Lead optimization and efficacy evaluation of quinazoline-based BET family inhibitors for potential treatment of cancer and inflammatory diseases.
Bioorg. Med. Chem. Lett., 29, 2019
1MUP
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BU of 1mup by Molmil
PHEROMONE BINDING TO TWO RODENT URINARY PROTEINS REVEALED BY X-RAY CRYSTALLOGRAPHY
分子名称: 2-(SEC-BUTYL)THIAZOLE, CADMIUM ION, MAJOR URINARY PROTEIN
著者Bocskei, Z, Flower, D.R, Groom, C.R, Phillips, S.E.V, North, A.C.T.
登録日1992-09-21
公開日1994-01-31
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pheromone binding to two rodent urinary proteins revealed by X-ray crystallography.
Nature, 360, 1992
7A9K
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BU of 7a9k by Molmil
Co-substituted Keggin silicotungstate with covalent bond to proteinase K
分子名称: Co-substituted Keggin silicotungstate, Proteinase K, SULFATE ION
著者Breibeck, J, Rompel, A.
登録日2020-09-02
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Speciation of Transition-Metal-Substituted Keggin-Type Silicotungstates Affected by the Co-crystallization Conditions with Proteinase K.
Inorg.Chem., 60, 2021
7A9F
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Co-substituted Keggin silicotungstate with covalent bond to proteinase K
分子名称: Co-substituted Keggin silicotungstate, Proteinase K, SULFATE ION
著者Breibeck, J, Rompel, A.
登録日2020-09-02
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Speciation of Transition-Metal-Substituted Keggin-Type Silicotungstates Affected by the Co-crystallization Conditions with Proteinase K.
Inorg.Chem., 60, 2021
7A9M
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Ni-substituted Keggin silicotungstate with covalent bond to proteinase K
分子名称: Ni-substituted Keggin silicotungstate, Proteinase K, SULFATE ION
著者Breibeck, J, Rompel, A.
登録日2020-09-02
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Speciation of Transition-Metal-Substituted Keggin-Type Silicotungstates Affected by the Co-crystallization Conditions with Proteinase K.
Inorg.Chem., 60, 2021
3D03
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BU of 3d03 by Molmil
1.9A structure of Glycerophoshphodiesterase (GpdQ) from Enterobacter aerogenes
分子名称: COBALT (II) ION, Phosphohydrolase
著者Hadler, K.S, Tanifum, E, Yip, S.H.-C, Miti, N, Guddat, L.W, Jackson, C.J, Gahan, L.R, Carr, P.D, Nguyen, K, Ollis, D.L, Hengge, A.C, Larrabee, J.A, Schenk, G.
登録日2008-04-30
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Substrate-promoted formation of a catalytically competent binuclear center and regulation of reactivity in a glycerophosphodiesterase from Enterobacter aerogenes.
J.Am.Chem.Soc., 130, 2008
2YBG
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BU of 2ybg by Molmil
Structure of Lys120-acetylated p53 core domain
分子名称: CELLULAR TUMOR ANTIGEN P53, ZINC ION
著者Arbely, E, Allen, M.D, Joerger, A.C, Fersht, A.R.
登録日2011-03-08
公開日2011-05-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Acetylation of Lysine 120 of P53 Endows DNA- Binding Specificity at Effective Physiological Salt Concentration.
Proc.Natl.Acad.Sci.USA, 108, 2011
4BY5
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BU of 4by5 by Molmil
Crystal structure of Drosophila Frq2
分子名称: CALCIUM ION, FI18190P1, SODIUM ION
著者Banos-Mateos, S, Chaves-Sanjuan, A, Sanchez-Barrena, M.J.
登録日2013-07-17
公開日2014-08-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献The Guanine-Exchange Factor Ric8A Binds the Calcium Sensor Ncs-1 to Regulate Synapse Number and Probability of Release.
J.Cell.Sci., 127, 2014
4BY4
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BU of 4by4 by Molmil
Crystal structure of Drosophila Frq2
分子名称: CALCIUM ION, FI18190P1, SODIUM ION
著者Banos-Mateos, S, Chaves-Sanjuan, A, Sanchez-Barrena, M.J.
登録日2013-07-17
公開日2014-08-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Guanine-Exchange Factor Ric8A Binds to the Ca2+ Sensor Ncs-1 to Regulate Synapse Number and Neurotransmitter Release.
J.Cell.Sci., 127, 2014
2D4F
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BU of 2d4f by Molmil
The Crystal Structure of human beta2-microglobulin
分子名称: Beta-2-microglobulin, SODIUM ION
著者Iwata, K, Matsuura, T, Nakagawa, A, Goto, Y.
登録日2005-10-18
公開日2006-08-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformation of Amyloid Fibrils of beta2-Microglobulin Probed by Tryptophan Mutagenesis
J.Biol.Chem., 281, 2006
2D4D
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BU of 2d4d by Molmil
The Crystal Structure of human beta2-microglobulin, L39W W60F W95F Mutant
分子名称: Beta-2-microglobulin, SODIUM ION
著者Iwata, K, Matsuura, T, Nakagawa, A, Goto, Y.
登録日2005-10-17
公開日2006-08-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformation of Amyloid Fibrils of beta2-Microglobulin Probed by Tryptophan Mutagenesis
J.Biol.Chem., 281, 2006
7DUH
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BU of 7duh by Molmil
Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with mRNA and cognate transfer RNA anticodon stem-loop and sisomicin derivative N1''AC bound
分子名称: 30S Ribosomal RNA rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者DeMirci, H, Destan, E.
登録日2021-01-09
公開日2022-01-26
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with mRNA and cognate transfer RNA anticodon stem-loop and sisomicin derivative N1''AC bound
to be published
7DUG
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BU of 7dug by Molmil
Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with mRNA and cognate transfer RNA anticodon stem-loop and sisomicin derivative N1''TFMS bound
分子名称: 30S Ribosomal RNA rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者DeMirci, H, Destan, E.
登録日2021-01-09
公開日2022-01-12
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with mRNA and cognate transfer RNA anticodon stem-loop and sisomicin derivative N1''TFMS bound
to be published
7DUK
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BU of 7duk by Molmil
Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with mRNA and cognate transfer RNA anticodon stem-loop and sisomicin derivative N1,3''MS bound
分子名称: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, 30S Ribosomal RNA rRNA, 30S ribosomal protein S10, ...
著者DeMirci, H, Destan, E.
登録日2021-01-09
公開日2022-01-12
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with mRNA and cognate transfer RNA anticodon stem-loop and sisomicin derivative N1,3''MS bound
to be published
7DUI
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BU of 7dui by Molmil
Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with mRNA and cognate transfer RNA anticodon stem-loop and sisomicin derivative N1''PyrS bound
分子名称: 30S Ribosomal RNA rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者DeMirci, H, Destan, E.
登録日2021-01-09
公開日2022-01-12
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with mRNA and cognate transfer RNA anticodon stem-loop and sisomicin derivative N1''PyrS bound
to be published
7DUJ
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Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with mRNA and cognate transfer RNA anticodon stem-loop and sisomicin derivative N1,3''Bz bound
分子名称: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, 30S Ribosomal RNA rRNA, 30S ribosomal protein S10, ...
著者DeMirci, H, Destan, E.
登録日2021-01-09
公開日2022-01-12
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with mRNA and cognate transfer RNA anticodon stem-loop and sisomicin derivative N1,3''Bz bound
to be published
2WQJ
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BU of 2wqj by Molmil
Crystal structure of a truncated variant of the human p73 tetramerization domain
分子名称: TUMOR PROTEIN P73
著者Joerger, A.C.
登録日2009-08-21
公開日2009-10-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Evolution of P53, P63, and P73: Implication for Heterotetramer Formation.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WQI
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Crystal structure of the human p73 tetramerization domain
分子名称: TUMOR PROTEIN P73
著者Joerger, A.C.
登録日2009-08-21
公開日2009-10-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Evolution of P53, P63, and P73: Implication for Heterotetramer Formation.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WTT
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Structure of the human p73 tetramerization domain (crystal form II)
分子名称: TUMOR PROTEIN P73
著者Joerger, A.C.
登録日2009-09-21
公開日2009-10-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Evolution of P53, P63, and P73: Implication for Heterotetramer Formation.
Proc.Natl.Acad.Sci.USA, 106, 2009
2OPO
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Crystal structure of the calcium-binding pollen allergen Che a 3
分子名称: CALCIUM ION, Polcalcin Che a 3, SULFATE ION
著者Verdino, P, Keller, W.
登録日2007-01-29
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Three-dimensional structure of the cross-reactive pollen allergen Che a 3: visualizing cross-reactivity on the molecular surfaces of weed, grass, and tree pollen allergens.
J.Immunol., 180, 2008

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