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1D61
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BU of 1d61 by Molmil
THE STRUCTURE OF THE B-DNA DECAMER C-C-A-A-C-I-T-T-G-G: MONOCLINIC FORM
分子名称: CACODYLATE ION, CALCIUM ION, DNA (5'-D(*CP*CP*AP*AP*CP*IP*TP*TP*GP*G)-3')
著者Lipanov, A, Kopka, M.L, Kaczor-Grzeskowiak, M, Quintana, J, Dickerson, R.E.
登録日1992-02-26
公開日1993-04-15
最終更新日2023-07-26
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of the B-DNA decamer C-C-A-A-C-I-T-T-G-G in two different space groups: conformational flexibility of B-DNA.
Biochemistry, 32, 1993
1DA3
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BU of 1da3 by Molmil
THE CRYSTAL STRUCTURE OF THE TRIGONAL DECAMER C-G-A-T-C-G-6MEA-T-C-G: A B-DNA HELIX WITH 10.6 BASE-PAIRS PER TURN
分子名称: CHLORIDE ION, DNA (5'-D(*CP*GP*AP*TP*CP*GP*(6MA)P*TP*CP*G)-3'), MAGNESIUM ION
著者Baikalov, I, Grzeskowiak, K, Yanagi, K, Quintana, J, Dickerson, R.E.
登録日1992-11-09
公開日1993-04-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of the trigonal decamer C-G-A-T-C-G-6meA-T-C-G: a B-DNA helix with 10.6 base-pairs per turn.
J.Mol.Biol., 231, 1993
3QK0
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BU of 3qk0 by Molmil
Crystal structure of PI3K-gamma in complex with benzothiazole 82
分子名称: N-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2011-01-31
公開日2011-03-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors.
J.Med.Chem., 54, 2011
1A9M
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BU of 1a9m by Molmil
G48H MUTANT OF HIV-1 PROTEASE IN COMPLEX WITH A PEPTIDIC INHIBITOR U-89360E
分子名称: HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
著者Hong, L, Zhang, X.-J, Foundling, S, Hartsuck, J.A, Tang, J.
登録日1998-04-08
公開日1998-06-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of a G48H mutant of HIV-1 protease explains how glycine-48 replacements produce mutants resistant to inhibitor drugs.
FEBS Lett., 420, 1997
5JZR
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BU of 5jzr by Molmil
Solid-state MAS NMR structure of Acinetobacter phage 205 (AP205) coat protein in assembled capsid particles
分子名称: Coat protein
著者Jaudzems, K, Andreas, L.B, Stanek, J, Lalli, D, Bertarello, A, Le Marchand, T, Cala-De Paepe, D, Kotelovica, S, Akopjana, I, Knott, B, Wegner, S, Engelke, F, Lesage, A, Emsley, L, Tars, K, Herrmann, T, Pintacuda, G.
登録日2016-05-17
公開日2016-08-10
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献Structure of fully protonated proteins by proton-detected magic-angle spinning NMR.
Proc.Natl.Acad.Sci.USA, 113, 2016
5JXV
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BU of 5jxv by Molmil
Solid-state MAS NMR structure of immunoglobulin beta 1 binding domain of protein G (GB1)
分子名称: Immunoglobulin G-binding protein G
著者Andreas, L.B, Jaudzems, K, Stanek, J, Lalli, D, Bertarello, A, Le Marchand, T, Cala-De Paepe, D, Kotelovica, S, Akopjana, I, Knott, B, Wegner, S, Engelke, F, Lesage, A, Emsley, L, Tars, K, Herrmann, T, Pintacuda, G.
登録日2016-05-13
公開日2016-08-10
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献Structure of fully protonated proteins by proton-detected magic-angle spinning NMR.
Proc.Natl.Acad.Sci.USA, 113, 2016
1M1C
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BU of 1m1c by Molmil
Structure of the L-A virus
分子名称: Major coat protein
著者Naitow, H, Tang, J, Canady, M, Wickner, R.B, Johnson, J.E.
登録日2002-06-18
公開日2002-10-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献L-A virus at 3.4 A resolution reveals particle architecture and mRNA decapping mechanism.
Nat.Struct.Biol., 9, 2002
2WTR
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BU of 2wtr by Molmil
Full length Arrestin2
分子名称: BARIUM ION, BETA-ARRESTIN-1
著者Zhou, H.G, Standfuss, J, Watson, K.A, Krasel, C.
登録日2009-09-21
公開日2009-09-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A New Dimeric Crystal Form for Arrestin2
To be Published
5IEM
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BU of 5iem by Molmil
NMR structure of the 5'-terminal hairpin of the 7SK snRNA
分子名称: 7SK snRNA
著者Bourbigot, S, Dock-Bregeon, A.C, Coutant, J, Kieffer, B, Lebars, I.
登録日2016-02-25
公開日2016-11-02
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Solution structure of the 5'-terminal hairpin of the 7SK small nuclear RNA.
RNA, 22, 2016
4A4M
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BU of 4a4m by Molmil
Crystal structure of the light-activated constitutively active N2C, M257Y,D282C rhodopsin mutant in complex with a peptide resembling the C-terminus of the Galpha-protein subunit (GaCT)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GUANINE NUCLEOTIDE-BINDING PROTEIN G(T) SUBUNIT ALPHA-3, ...
著者Deupi, X, Edwards, P, Singhal, A, Nickle, B, Oprian, D.D, Schertler, G.F.X, Standfuss, J.
登録日2011-10-17
公開日2012-01-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Stabilized G Protein Binding Site in the Structure of Constitutively Active Metarhodopsin-II.
Proc.Natl.Acad.Sci.USA, 109, 2012
2VKM
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BU of 2vkm by Molmil
Crystal structure of GRL-8234 bound to BACE (Beta-secretase)
分子名称: BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
著者Hong, L, Tang, J, Ghosh, A.K.
登録日2007-12-04
公開日2008-12-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Potent Memapsin 2 (Beta-Secretase) Inhibitors: Design, Synthesis, Protein-Ligand X-Ray Structure, and in Vivo Evaluation.
Bioorg.Med.Chem.Lett., 18, 2008
3QJZ
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BU of 3qjz by Molmil
Crystal structure of PI3K-gamma in complex with benzothiazole 1
分子名称: N-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2011-01-31
公開日2011-03-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors.
J.Med.Chem., 54, 2011
3QYC
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BU of 3qyc by Molmil
Structure of a dimeric anti-HER2 single domain antibody
分子名称: VH domain of IgG molecule
著者Baral, T.N, Chao, S, Li, S, Tanha, J, Arbabai, M, Wang, S, Zhang, J.
登録日2011-03-03
公開日2012-02-08
最終更新日2014-02-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of a Human Single Domain Antibody Dimer Formed through V(H)-V(H) Non-Covalent Interactions.
Plos One, 7, 2012
6EKA
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BU of 6eka by Molmil
Solid-state MAS NMR structure of the HELLF prion amyloid fibrils
分子名称: Podospora anserina S mat+ genomic DNA chromosome 3, supercontig 2
著者Martinez, D, Daskalov, A, Andreas, L, Bardiaux, B, Coustou, V, Stanek, J, Berbon, M, Noubhani, M, Kauffmann, B, Wall, J.S, Pintacuda, G, Saupe, S.J, Habenstein, B, Loquet, A.
登録日2017-09-25
公開日2018-10-10
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献Structural and molecular basis of cross-seeding barriers in amyloids
Proc.Natl.Acad.Sci.USA, 118, 2021
3P8C
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BU of 3p8c by Molmil
Structure and Control of the Actin Regulatory WAVE Complex
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Abl interactor 2, CHLORIDE ION, ...
著者Chen, Z, Borek, D, Padrick, S.B, Gomez, T.S, Metlagel, Z, Ismail, A.M, Umetani, J, Billadeau, D.D, Otwinowski, Z, Rosen, M.K.
登録日2010-10-13
公開日2010-12-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure and control of the actin regulatory WAVE complex.
Nature, 468, 2010
1MUX
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BU of 1mux by Molmil
SOLUTION NMR STRUCTURE OF CALMODULIN/W-7 COMPLEX: THE BASIS OF DIVERSITY IN MOLECULAR RECOGNITION, 30 STRUCTURES
分子名称: CALCIUM ION, CALMODULIN, N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE
著者Osawa, M, Swindells, M.B, Tanikawa, J, Tanaka, T, Mase, T, Furuya, T, Ikura, M.
登録日1997-09-06
公開日1998-10-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of calmodulin-W-7 complex: the basis of diversity in molecular recognition.
J.Mol.Biol., 276, 1998
3QPI
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BU of 3qpi by Molmil
Crystal Structure of Dimeric Chlorite Dismutases from Nitrobacter winogradskyi
分子名称: Chlorite Dismutase, PROTOPORPHYRIN IX CONTAINING FE
著者Mlynek, G, Sjoeblom, B, Kostan, J, Fuereder, S, Maixner, F, Furtmueller, P.G, Obinger, O, Wagner, M, Daims, H, Djinovic-Carugo, K.
登録日2011-02-13
公開日2011-07-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Unexpected diversity of chlorite dismutases: a catalytically efficient dimeric enzyme from Nitrobacter winogradskyi.
J.Bacteriol., 193, 2011
1S22
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BU of 1s22 by Molmil
Absolute Stereochemistry of Ulapualide A
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
著者Allingham, J.S, Tanaka, J, Marriott, G, Rayment, I.
登録日2004-01-07
公開日2004-02-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Absolute stereochemistry of ulapualide A
Org.Lett., 6, 2004
2HYY
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BU of 2hyy by Molmil
Human Abl kinase domain in complex with imatinib (STI571, Glivec)
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1
著者Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
登録日2006-08-08
公開日2007-01-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
2HZ4
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BU of 2hz4 by Molmil
Abl kinase domain unligated and in complex with tetrahydrostaurosporine
分子名称: 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, Proto-oncogene tyrosine-protein kinase ABL1
著者Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
登録日2006-08-08
公開日2007-01-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
2HZN
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BU of 2hzn by Molmil
Abl kinase domain in complex with NVP-AFG210
分子名称: 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA, Proto-oncogene tyrosine-protein kinase ABL1
著者Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
登録日2006-08-09
公開日2007-01-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
2HZI
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Abl kinase domain in complex with PD180970
分子名称: 6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO-3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Proto-oncogene tyrosine-protein kinase ABL1
著者Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
登録日2006-08-09
公開日2007-01-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
4DDR
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BU of 4ddr by Molmil
Human dihydrofolate reductase complexed with NADPH and P218
分子名称: 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Yuthavong, Y, Tarnchompoo, B, Vilaivan, T, Chitnumsub, P, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Thongphanchang, C, Taweechai, S, Vanichtanankul, J, Rattanajak, R, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D.
登録日2012-01-19
公開日2012-11-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target
Proc.Natl.Acad.Sci.USA, 109, 2012
4BGK
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Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with (3-(Trimethylammonio)propyl)phosphinate
分子名称: GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, N-OXALYLGLYCINE, ...
著者Tars, K, Leitans, J, Kazaks, A.
登録日2013-03-27
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
4BHI
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Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-(1,1,1,2-Tetramethylhydrazin-1-ium-2-yl)propanoate
分子名称: 3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ...
著者Tars, K, Leitans, J, Kazaks, A.
登録日2013-04-03
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014

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