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3GOY
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BU of 3goy by Molmil
Crystal structure of human poly(adp-ribose) polymerase 14, catalytic fragment in complex with an inhibitor 3-aminobenzamide
分子名称: 3-aminobenzamide, Poly [ADP-ribose] polymerase 14
著者Karlberg, T, Moche, M, Lehtio, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2009-03-20
公開日2009-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors.
Nat.Biotechnol., 30, 2012
7C1M
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BU of 7c1m by Molmil
Complex structure of tyrosinated alpha-tubulin carboxy-terminal peptide and A1aY1 binder
分子名称: Carboxy-terminal peptide from tyrosinated alpha-tubulin, Nanobody binder from SSO7d library
著者Kesarwani, S, Reddy, P.P, Sirajuddin, M, Das, R.
登録日2020-05-05
公開日2020-09-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Genetically encoded live-cell sensor for tyrosinated microtubules.
J.Cell Biol., 219, 2020
5EAJ
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BU of 5eaj by Molmil
Crystal structure of DHFR in 0% Isopropanol
分子名称: CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ...
著者Cuneo, M.J, Agarwal, P.K.
登録日2015-10-16
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Modulating Enzyme Activity by Altering Protein Dynamics with Solvent.
Biochemistry, 57, 2018
5ZXI
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BU of 5zxi by Molmil
Co-crystal structure of an Inhibitor in complex with human PPARdelta LBD
分子名称: 6-[2-({2-[4-(furan-2-yl)phenyl]-5-methyl-1H-imidazol-1-yl}methyl)phenoxy]hexanoic acid, Peroxisome proliferator-activated receptor delta
著者Rani, S.T, Laxminarasimhan, A, Senaiar, R.S, Krishnamurthy, N.
登録日2018-05-21
公開日2019-04-03
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Selective PPAR delta Modulators Improve Mitochondrial Function: Potential Treatment for Duchenne Muscular Dystrophy (DMD).
ACS Med Chem Lett, 9, 2018
2JYM
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BU of 2jym by Molmil
Solution structure of stem-loop alpha of the hepatitis B virus post-transcriptional regulatory element
分子名称: RNA (5'-R(*GP*GP*CP*UP*CP*GP*CP*AP*GP*CP*AP*GP*GP*UP*CP*UP*GP*GP*AP*GP*UP*C)-3')
著者Ohlenschlager, O, Gorlach, M, Schwalbe, M.
登録日2007-12-14
公開日2008-04-29
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of stem-loop alpha of the hepatitis B virus post-transcriptional regulatory element
Nucleic Acids Res., 36, 2008
3FE1
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BU of 3fe1 by Molmil
Crystal structure of the human 70kDa heat shock protein 6 (Hsp70B') ATPase domain in complex with ADP and inorganic phosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Heat shock 70 kDa protein 6, ...
著者Wisniewska, M, Lehtio, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wikstrom, M, Schueler, H, Structural Genomics Consortium (SGC)
登録日2008-11-27
公開日2008-12-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of the ATPase domains of four human Hsp70 isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78
Plos One, 5, 2010
4HHY
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BU of 4hhy by Molmil
Crystal structure of PARP catalytic domain in complex with novel inhibitors
分子名称: (9aR)-1-[(1-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperidin-4-yl)carbonyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphthyridin-7-one, DI(HYDROXYETHYL)ETHER, Poly [ADP-ribose] polymerase 1, ...
著者Liu, Q.F, Chen, T.T, Xu, Y.C.
登録日2012-10-10
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3637 Å)
主引用文献Design, Synthesis, and Biological Evaluation of a Series of Benzo[de][1,7]naphthyridin-7(8H)-ones Bearing a Functionalized Longer Chain Appendage as Novel PARP1 Inhibitors.
J.Med.Chem., 56, 2013
4HHZ
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Crystal structure of PARP catalytic domain in complex with novel inhibitors
分子名称: N-{(2S)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-1-oxopropan-2-yl}-2-[(9aR)-7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[de][1,7]naphthyridin-1-yl]acetamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Liu, Q.F, Chen, T.T, Xu, Y.C.
登録日2012-10-10
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7199 Å)
主引用文献Design, Synthesis, and Biological Evaluation of a Series of Benzo[de][1,7]naphthyridin-7(8H)-ones Bearing a Functionalized Longer Chain Appendage as Novel PARP1 Inhibitors.
J.Med.Chem., 56, 2013
1I95
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BU of 1i95 by Molmil
CRYSTAL STRUCTURE OF THE 30S RIBOSOMAL SUBUNIT FROM THERMUS THERMOPHILUS IN COMPLEX WITH EDEINE
分子名称: 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
著者Pioletti, M, Schluenzen, F, Harms, J, Zarivach, R, Gluehmann, M, Avila, H, Bartels, H, Jacobi, C, Hartsch, T, Yonath, A, Franceschi, F.
登録日2001-03-18
公開日2001-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3.
EMBO J., 20, 2001
3FHB
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BU of 3fhb by Molmil
Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor 3-aminobenzoic acid
分子名称: 3-AMINOBENZOIC ACID, Poly [ADP-ribose] polymerase 3
著者Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Johansson, I, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Schueler, H, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
登録日2008-12-09
公開日2009-01-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.
J.Med.Chem., 52, 2009
3FM3
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BU of 3fm3 by Molmil
Crystal structure of an Encephalitozoon cuniculi methionine aminopeptidase type 2
分子名称: FE (III) ION, Methionine aminopeptidase 2, SULFATE ION
著者Alvarado, J.J, Russell, M, Zhang, A, Adams, J, Toro, R, Burley, S.K, Weiss, L.M, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-12-19
公開日2009-01-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure of a microsporidian methionine aminopeptidase type 2 complexed with fumagillin and TNP-470.
Mol.Biochem.Parasitol., 168, 2009
3FMQ
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BU of 3fmq by Molmil
Crystal structure of an Encephalitozoon cuniculi methionine aminopeptidase type 2 with angiogenesis inhibitor fumagillin bound
分子名称: FE (III) ION, FUMAGILLIN, Methionine aminopeptidase 2, ...
著者Alvarado, J.J, Russell, M, Zhang, A, Adams, J, Toro, R, Burley, S.K, Weiss, L.M, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-12-22
公開日2009-01-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a microsporidian methionine aminopeptidase type 2 complexed with fumagillin and TNP-470.
Mol.Biochem.Parasitol., 168, 2009
4I6Q
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BU of 4i6q by Molmil
JAK3 kinase domain in complex with 2-Phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1-cyclopropyl-ethyl)-amide
分子名称: 1-phenylurea, N-[(1S)-1-cyclopropylethyl]-2-phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
著者Kuglstatter, A, Shao, A.
登録日2012-11-30
公開日2013-10-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of a series of novel 5H-pyrrolo[2,3-b]pyrazine-2-phenyl ethers, as potent JAK3 kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
1I97
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BU of 1i97 by Molmil
CRYSTAL STRUCTURE OF THE 30S RIBOSOMAL SUBUNIT FROM THERMUS THERMOPHILUS IN COMPLEX WITH TETRACYCLINE
分子名称: 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
著者Pioletti, M, Schluenzen, F, Harms, J, Zarivach, R, Gluehmann, M, Avila, H, Bartels, H, Jacobi, C, Hartsch, T, Yonath, A, Franceschi, F.
登録日2001-03-18
公開日2001-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3.
EMBO J., 20, 2001
1I96
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BU of 1i96 by Molmil
CRYSTAL STRUCTURE OF THE 30S RIBOSOMAL SUBUNIT FROM THERMUS THERMOPHILUS IN COMPLEX WITH THE TRANSLATION INITIATION FACTOR IF3 (C-TERMINAL DOMAIN)
分子名称: 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
著者Pioletti, M, Schluenzen, F, Harms, J, Zarivach, R, Gluehmann, M, Avila, H, Bartels, H, Jacobi, C, Hartsch, T, Yonath, A, Franceschi, F.
登録日2001-03-18
公開日2001-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3.
EMBO J., 20, 2001
5E3H
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BU of 5e3h by Molmil
Structural Basis for RNA Recognition and Activation of RIG-I
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, GLYCEROL, ...
著者Jiang, F, Miller, M.T, Marcotrigiano, J.
登録日2015-10-02
公開日2015-11-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of RNA recognition and activation by innate immune receptor RIG-I.
Nature, 479, 2011
5TX6
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BU of 5tx6 by Molmil
Structure of TGF-beta2 derivative with deletion of residues 52-71 and 10 single amino acid mutations (mmTGF-beta2-7M)
分子名称: CALCIUM ION, Transforming growth factor beta-2
著者Petrunak, E.M, Hinck, A.P.
登録日2016-11-15
公開日2017-03-01
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.746 Å)
主引用文献An engineered transforming growth factor beta (TGF-beta ) monomer that functions as a dominant negative to block TGF-beta signaling.
J. Biol. Chem., 292, 2017
5AFS
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BU of 5afs by Molmil
structure of Zn-bound periplasmic metal binding protein from candidatus liberibacter asiaticus
分子名称: ACETATE ION, GLYCEROL, PERIPLASMIC SOLUTE BINDING PROTEIN, ...
著者Sharma, N, Selvakumar, P, Kumar, P, Sharma, A.K.
登録日2015-01-23
公開日2016-02-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure analysis in Zn(2+)-bound state and biophysical characterization of CLas-ZnuA2.
Biochim. Biophys. Acta, 1864, 2016
4QL8
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Crystal structure of Androgen Receptor in complex with the ligand
分子名称: 2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile, Androgen receptor
著者Krishnamurthy, N, Sangeetha, R, Ghadiyaram, C, Sasmal, S, Subramanya, H.S.
登録日2014-06-11
公開日2015-06-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献3-alkoxy-pyrrolo[1,2-b]pyrazolines as selective androgen receptor modulators with ideal physicochemical properties for transdermal administration
J.Med.Chem., 57, 2014
3FMR
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BU of 3fmr by Molmil
Crystal structure of an Encephalitozoon cuniculi methionine aminopeptidase type 2 with angiogenesis inhibitor TNP470 bound
分子名称: (1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate, FE (III) ION, Methionine aminopeptidase 2, ...
著者Alvarado, J.J, Russell, M, Zhang, A, Adams, J, Toro, R, Burley, S.K, Weiss, L.M, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-12-22
公開日2009-01-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure of a microsporidian methionine aminopeptidase type 2 complexed with fumagillin and TNP-470.
Mol.Biochem.Parasitol., 168, 2009
5EG3
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Crystal Structure of the Activated FGF Receptor 2 (FGFR2) Kinase Domain in complex with the cSH2 domain of Phospholipase C gamma (PLCgamma)
分子名称: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1, Fibroblast growth factor receptor 2, MAGNESIUM ION, ...
著者Huang, Z, Li, X, Mohammadi, M.
登録日2015-10-26
公開日2016-02-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.606 Å)
主引用文献Two FGF Receptor Kinase Molecules Act in Concert to Recruit and Transphosphorylate Phospholipase C gamma.
Mol.Cell, 61, 2016
5EFM
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Beclin 1 Flexible-helical Domian (FHD) (141-171)
分子名称: Beclin-1, SULFATE ION
著者Sinha, S, Mei, Y.
登録日2015-10-23
公開日2016-07-20
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Conformational Flexibility Enables the Function of a BECN1 Region Essential for Starvation-Mediated Autophagy.
Biochemistry, 55, 2016
7DN7
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BU of 7dn7 by Molmil
Crystal structure of ternary complexes of lactoperoxidase with hydrogen peroxide at 1.70 A resolution
分子名称: 1,2-ETHANEDIOL, 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Singh, P.K, Singh, A.K, Singh, R.P, Kaur, P, Sharma, S, Singh, T.P.
登録日2020-12-09
公開日2020-12-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of a ternary complex of lactoperoxidase with iodide and hydrogen peroxide at 1.77 angstrom resolution.
J.Inorg.Biochem., 220, 2021
3T5I
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Structure of Fully modified farnesylated Rheb Peptide in complex with PDE6D
分子名称: C-terminal Farnesylated Rheb peptide CSQQGKSS(CMT), FARNESYL, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
著者Ismail, S.A, Chen, Y.-X, Wittinghofer, A.
登録日2011-07-27
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Arl2-GTP and Arl3-GTP regulate a GDI-like transport system for farnesylated cargo.
Nat.Chem.Biol., 7, 2011
7DN6
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Crystal structure of bovine lactoperoxidase with hydrogen peroxide trapped between heme iron and his109 at 1.69 A resolution
分子名称: 1,2-ETHANEDIOL, 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Singh, P.K, Singh, A.K, Kaur, P, Sharma, S, Singh, T.P.
登録日2020-12-08
公開日2020-12-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Structure of a ternary complex of lactoperoxidase with iodide and hydrogen peroxide at 1.77 angstrom resolution.
J.Inorg.Biochem., 220, 2021

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