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3LFG
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Crystal structure of HPr-C-His from Thermoanaerobacter tengcongensis
分子名称: Phosphotransferase system, HPr-related proteins
著者Fu, T.M, Su, X.D.
登録日2010-01-17
公開日2010-12-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Dimerization of HPr by reversible domain swapping
To be Published
5G1X
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BU of 5g1x by Molmil
Crystal structure of Aurora-A kinase in complex with N-Myc
分子名称: ADENOSINE-5'-DIPHOSPHATE, AURORA KINASE A, MAGNESIUM ION, ...
著者Richards, M.W, Burgess, S.G, Bayliss, R.
登録日2016-03-31
公開日2016-11-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural Basis of N-Myc Binding by Aurora-A and its Destabilization by Kinase Inhibitors
Proc.Natl.Acad.Sci.USA, 113, 2016
5G26
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BU of 5g26 by Molmil
Unveiling the Mechanism Behind the in-meso Crystallization of Membrane Proteins
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, INTIMIN
著者Zabara, A, Newman, J, Peat, T.S.
登録日2016-04-07
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献The Nanoscience Behind the Art of in-Meso Crystallization of Membrane Proteins.
Nanoscale, 9, 2017
5G5W
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BU of 5g5w by Molmil
Structure guided design and discovery of Indazole ethers as highly potent, non-steroidal Glucocorticoid receptor modulators
分子名称: 1,2-ETHANEDIOL, 2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide, GLUCOCORTICOID RECEPTOR, ...
著者Hemmerling, M, Edman, K, Lepisto, M, Eriksson, A, Ivanova, S, Dahmen, J, Rehwinkel, H, Berger, M, Hendrickx, R, Dearman, M, Jellesmark-Jensen, T, Wissler, L, Hansson, T.
登録日2016-06-08
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Indazole Ethers as Novel, Potent, Non-Steroidal Glucocorticoid Receptor Modulators.
Bioorg.Med.Chem.Lett., 26, 2017
3LIQ
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BU of 3liq by Molmil
Crystal Structure of HTLV protease complexed with the inhibitor, KNI-10673
分子名称: (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide, Protease
著者Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A.
登録日2010-01-25
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
3LFS
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BU of 3lfs by Molmil
Crystal structure of CDK2 with SAR37, an aminoindazole type inhibitor
分子名称: Cell division protein kinase 2, N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide
著者Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P.
登録日2010-01-18
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2.
Bioorg.Med.Chem.Lett., 20, 2010
5G2I
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BU of 5g2i by Molmil
S. enterica HisA mutant Dup13-15(VVR)
分子名称: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, PHOSPHATE ION, SODIUM ION
著者Guo, X, Soderholm, A, Newton, M, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M.
登録日2016-04-08
公開日2017-04-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3LJ3
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BU of 3lj3 by Molmil
PI3-kinase-gamma with a pyrrolopyridine-benzofuran inhibitor
分子名称: (2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Bard, J, Svenson, K.
登録日2010-01-25
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovery and optimization of 2-(4-substituted-pyrrolo[2,3-b]pyridin-3-yl)methylene-4-hydroxybenzofuran-3(2H)-ones as potent and selective ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR).
Bioorg.Med.Chem.Lett., 20, 2010
5G2Z
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BU of 5g2z by Molmil
Crystallographic structure of mutant W31A of thioredoxin from Litopenaeus vannamei
分子名称: THIOREDOXIN
著者Campos-Acevedo, A.A, Rudino-Pinera, E.
登録日2016-04-18
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Is dimerization a common feature in thioredoxins? The case of thioredoxin from Litopenaeus vannamei.
Acta Crystallogr D Struct Biol, 73, 2017
3LGB
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Crystal Structure of the Fe-S Domain of the yeast DNA primase
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA primase large subunit, GLYCEROL, ...
著者Sauguet, L, Pellegrini, L.
登録日2010-01-20
公開日2010-04-21
最終更新日2011-10-05
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Shared Active Site Architecture between the Large Subunit of Eukaryotic Primase and DNA Photolyase
PLOS ONE, 5, 2010
5G6K
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BU of 5g6k by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with 7-((3-(2-(Methylamino)ethyl)phenoxy)methyl)quinolin-2- amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine, CHLORIDE ION, ...
著者Holden, J.K, Lewis, M.C, Poulos, T.L.
登録日2016-06-18
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
5G2R
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BU of 5g2r by Molmil
Crystal structure of the Mo-insertase domain Cnx1E from Arabidopsis thaliana
分子名称: GLYCEROL, MAGNESIUM ION, MOLYBDOPTERIN BIOSYNTHESIS PROTEIN CNX1, ...
著者Krausze, J, Saha, S, Probst, C, Kruse, T, Heinz, D.W, Mendel, R.R.
登録日2016-04-13
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Dimerization of the Plant Molybdenum Insertase Cnx1E is Required for Synthesis of the Molybdenum Cofactor.
Biochem.J., 474, 2017
3LGO
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BU of 3lgo by Molmil
Structure of Gse1p, member of the GSE/EGO complex
分子名称: Protein SLM4
著者Kogan, K, Fass, D.
登録日2010-01-21
公開日2010-08-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural conservation of components in the amino acid sensing branch of the TOR pathway in yeast and mammals.
J.Mol.Biol., 402, 2010
5G6O
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BU of 5g6o by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with two molecules of 7-((4-(Dimethylamino)methyl)phenoxy)methyl)quinolin- 2- amine
分子名称: 7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine, CHLORIDE ION, GLYCEROL, ...
著者Holden, J.K, Poulos, T.L.
登録日2016-06-18
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.719 Å)
主引用文献Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
3LJO
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BU of 3ljo by Molmil
Bovine trypsin in complex with UB-THR 11
分子名称: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ...
著者Wegscheid-Gerlach, C, Heine, A, Klebe, G.
登録日2010-01-26
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties.
J.Mol.Biol., 405, 2011
5G35
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BU of 5g35 by Molmil
Structure of Rad14 in complex with acetylaminopyren-C8-guanine containing DNA
分子名称: 5'-D(*GP*CP*TP*CP*TP*AP*8PYP*TP*CP*AP*TP*CP*AP*CP)-3', 5'-D(*GP*TP*GP*AP*TP*GP*AP*CP*GP*TP*AP*GP*AP*GP)-3', RAD14, ...
著者Simon, N, Ebert, C, Schneider, S.
登録日2016-04-18
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Bulky Adduct DNA Lesion Recognition by the Nucleotide Excision Repair Protein Rad14.
Chemistry, 22, 2016
6OQ1
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BU of 6oq1 by Molmil
Crystal Structure of Branched K11/K48-Linked Tri-Ubiquitin
分子名称: Ubiquitin
著者Boughton, A.J, Fushman, D.
登録日2019-04-25
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Branching via K11 and K48 Bestows Ubiquitin Chains with a Unique Interdomain Interface and Enhanced Affinity for Proteasomal Subunit Rpn1.
Structure, 28, 2020
5G3J
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BU of 5g3j by Molmil
Discovery of New Selective Glucocorticoid Receptor Agonist Leads
分子名称: 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5-[[(1S,2R,4R)-4-ethyl-6,7-bis(fluoranyl)-2,5-bis(oxidanyl)-2-(trifluoromethyl)-3,4-dihydro-1H-naphthalen-1-yl]amino]-1H-quinolin-2-one, ...
著者Berger, M, Edman, K, Wissler, L, Neuhaus, R, Rehwinkel, H, Schacke, H, Jaroch, S.
登録日2016-04-27
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of New Selective Glucocorticoid Receptor Agonist Leads.
Bioorg.Med.Chem.Lett., 27, 2017
3LH4
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BU of 3lh4 by Molmil
Crystal Structure of Sialostatin L2
分子名称: GLYCEROL, SULFATE ION, Secreted cystatin
著者Andersen, J.F, Kotsyfakis, M, Salat, J, Horka, H.
登録日2010-01-21
公開日2010-09-29
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structures of two salivary cystatins from the tick Ixodes scapularis and the effect of these inhibitors on the establishment of Borrelia burgdorferi infection in a murine model.
Mol.Microbiol., 77, 2010
5G6N
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BU of 5g6n by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((4-(Dimethylamino)methyl)phenoxy)methyl)quinolin-2- amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine, ...
著者Holden, J.K, Poulos, T.L.
登録日2016-06-18
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
5G3Z
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Crystal structure of adenylate kinase ancestor 3 with Zn, Mg and Ap5A bound
分子名称: ADENYLATE KINSE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
著者Nguyen, V, Kutter, S, English, J, Kern, D.
登録日2016-05-03
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
3LHB
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THE 2.7 ANGSTROM CRYSTAL STRUCTURE OF DEOXYGENATED HEMOGLOBIN FROM THE SEA LAMPREY (PETROMYZON MARINUS)
分子名称: PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE
著者Heaslet, H.A, Royer Jr, W.E.
登録日1999-01-12
公開日1999-01-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The 2.7 A crystal structure of deoxygenated hemoglobin from the sea lamprey (Petromyzon marinus): structural basis for a lowered oxygen affinity and Bohr effect.
Structure Fold.Des., 7, 1999
5G24
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Type IV-like pilin TTHA1219 from Thermus thermophilus
分子名称: TYPE-IV LIKE PILIN TTHA1219
著者Karuppiah, V, Derrick, J.P.
登録日2016-04-06
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of Type Iv Pilins from Thermus Thermophilus Demonstrate Similarities with Type II Secretion System Pseudopilins
J.Struct.Biol., 196, 2016
5G3P
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Bacillus cereus formamidase (BceAmiF) acetylated at the active site.
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Gavira, J.A, Conejero-Muriel, M, Martinez-Rodriguez, S.
登録日2016-04-29
公開日2017-04-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A novel cysteine carbamoyl-switch is responsible for the inhibition of formamidase, a nitrilase superfamily member.
Arch.Biochem.Biophys., 662, 2019
3LIH
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Crystal structure of fructosyltransferase (D191A) from A. japonicus in complex with raffinose
分子名称: Fructosyltransferase, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose-(1-2)-beta-D-fructofuranose
著者Chuankhayan, P, Chen, C.J, Chiang, C.M.
登録日2010-01-24
公開日2010-05-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of Aspergillus japonicus fructosyltransferase complex with donor/acceptor substrates reveal complete subsites in the active site for catalysis
J.Biol.Chem., 285, 2010

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