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3RSX
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Structure of Bace-1 (Beta-Secretase) in Complex with 6-(Thiophen-3-yl)quinolin-2-amine
分子名称: 6-(thiophen-3-yl)quinolin-2-amine, Beta-secretase 1, IODIDE ION
著者Sickmier, E.A.
登録日2011-05-02
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
5S9T
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BU of 5s9t by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1614545742
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9Z
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BU of 5s9z by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434884
分子名称: 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one, BROMIDE ION, DIMETHYL SULFOXIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
1S0V
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BU of 1s0v by Molmil
Structural basis for substrate selection by T7 RNA polymerase
分子名称: 5'-D(*G*GP*GP*AP*AP*TP*CP*GP*AP*TP*AP*TP*CP*GP*CP*CP*GP*C)-3', 5'-D(*GP*TP*CP*GP*AP*TP*TP*CP*CP*C)-3', 5'-R(*AP*AP*CP*U*GP*CP*GP*GP*CP*GP*AP*U)-3', ...
著者Temiakov, D, Patlan, V, Anikin, M, McAllister, W.T, Yokoyama, S, Vassylyev, D.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-01-05
公開日2004-02-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for substrate selection by t7 RNA polymerase.
Cell(Cambridge,Mass.), 116, 2004
3RTM
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BU of 3rtm by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide
分子名称: 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide, Beta-secretase 1, GLYCEROL, ...
著者Sickmier, E.A.
登録日2011-05-03
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3REC
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BU of 3rec by Molmil
ESCHERICHIA COLI RECA PROTEIN-BOUND DNA, NMR, 1 STRUCTURE
分子名称: DNA (5'-D(*TP*A)-3')
著者Nishinaka, T, Ito, Y, Yokoyama, S, Shibata, T.
登録日1997-04-17
公開日1997-10-22
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献An extended DNA structure through deoxyribose-base stacking induced by RecA protein.
Proc.Natl.Acad.Sci.USA, 94, 1997
3RU1
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BU of 3ru1 by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide
分子名称: 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide, Beta-secretase 1, GLYCEROL, ...
著者Sickmier, E.A.
登録日2011-05-04
公開日2011-08-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
1PKS
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BU of 1pks by Molmil
STRUCTURE OF THE PI3K SH3 DOMAIN AND ANALYSIS OF THE SH3 FAMILY
分子名称: PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT SH3 DOMAIN
著者Koyama, S, Yu, H, Dalgarno, D.C, Shin, T.B, Zydowsky, L.D, Schreiber, S.L.
登録日1994-03-07
公開日1994-05-31
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of the PI3K SH3 domain and analysis of the SH3 family.
Cell(Cambridge,Mass.), 72, 1993
1PRS
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BU of 1prs by Molmil
NMR-DERIVED THREE-DIMENSIONAL SOLUTION STRUCTURE OF PROTEIN S COMPLEXED WITH CALCIUM
分子名称: CALCIUM ION, DEVELOPMENT-SPECIFIC PROTEIN S
著者Bagby, S, Harvey, T.S, Eagle, S.G, Inouye, S, Ikura, M.
登録日1994-03-25
公開日1994-08-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR-derived three-dimensional solution structure of protein S complexed with calcium.
Structure, 2, 1994
4K96
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BU of 4k96 by Molmil
Structure of Binary Complex of cGAS with Bound dsDNA
分子名称: Cyclic GMP-AMP synthase, DNA-F, DNA-R, ...
著者Gao, P, Wu, Y, Patel, D.J.
登録日2013-04-19
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.084 Å)
主引用文献Cyclic [G(2',5')pA(3',5')p] is the metazoan second messenger produced by DNA-activated cyclic GMP-AMP synthase.
Cell(Cambridge,Mass.), 153, 2013
1Q0Z
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BU of 1q0z by Molmil
Crystal structure of aclacinomycin methylesterase (RdmC) with bound product analogue, 10-decarboxymethylaclacinomycin A (DcmA)
分子名称: 10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA), PENTAETHYLENE GLYCOL, SULFATE ION, ...
著者Jansson, A, Niemi, J, Mantsala, P, Schneider, G, Structural Proteomics in Europe (SPINE)
登録日2003-07-18
公開日2003-11-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of aclacinomycin methylesterase with bound product analogues: implications for anthracycline recognition and mechanism.
J.Biol.Chem., 278, 2003
3UDP
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BU of 3udp by Molmil
Crystal Structure of BACE with Compound 12
分子名称: (4S)-6-bromo-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, 1,2-ETHANEDIOL, Beta-secretase 1, ...
著者Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J.
登録日2011-10-28
公開日2012-04-18
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
1Q3R
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BU of 1q3r by Molmil
Crystal structure of the chaperonin from Thermococcus strain KS-1 (nucleotide-free form of single mutant)
分子名称: SULFATE ION, Thermosome alpha subunit
著者Shomura, Y, Yoshida, T, Iizuka, R, Maruyama, T, Yohda, M, Miki, K.
登録日2003-07-31
公開日2004-01-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structures of the Group II Chaperonin from Thermococcus strain KS-1: Steric Hindrance by the Substituted Amino Acid, and Inter-subunit Rearrangement between Two Crystal Forms.
J.Mol.Biol., 335, 2004
2D25
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BU of 2d25 by Molmil
C-C-A-G-G-C-M5C-T-G-G; HELICAL FINE STRUCTURE, HYDRATION, AND COMPARISON WITH C-C-A-G-G-C-C-T-G-G
分子名称: DNA (5'-D(*CP*CP*AP*GP*GP*CP*(5CM)P*TP*GP*G)-3'), MAGNESIUM ION
著者Heinemann, U, Hahn, M.
登録日1991-04-23
公開日1991-04-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献C-C-A-G-G-C-m5C-T-G-G. Helical fine structure, hydration, and comparison with C-C-A-G-G-C-C-T-G-G.
J.Biol.Chem., 267, 1992
1S1T
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BU of 1s1t by Molmil
Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with UC-781
分子名称: 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, PHOSPHATE ION, Reverse transcriptase
著者Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K.
登録日2004-01-07
公開日2004-06-29
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
1RZ6
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BU of 1rz6 by Molmil
Di-haem Cytochrome c Peroxidase, Form IN
分子名称: CITRIC ACID, Cytochrome c peroxidase, HEME C
著者Dias, J.M, Alves, T, Bonifacio, C, Pereira, A, Bourgeois, D, Moura, I, Romao, M.J.
登録日2003-12-24
公開日2004-06-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the mechanism of Ca(2+) activation of the di-heme cytochrome c peroxidase from Pseudomonas nautica 617.
Structure, 12, 2004
3ULR
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BU of 3ulr by Molmil
Lysozyme contamination facilitates crystallization of a hetero-trimericCortactin:Arg:Lysozyme complex
分子名称: Abelson tyrosine-protein kinase 2, Lysozyme C, Src substrate cortactin
著者Liu, W, MacGrath, S, Koleske, A.J, Boggon, T.J.
登録日2011-11-11
公開日2012-01-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Lysozyme contamination facilitates crystallization of a heterotrimeric cortactin-Arg-lysozyme complex.
Acta Crystallogr.,Sect.F, 68, 2012
2QQI
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BU of 2qqi by Molmil
Crystal Structure of the b1b2 Domains from Human Neuropilin-1
分子名称: GLYCEROL, Neuropilin-1
著者Appleton, B.A, Desmarais, W, Wiesmann, C.
登録日2007-07-26
公開日2007-11-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding
Embo J., 26, 2007
5S9Y
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BU of 5s9y by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z24758179
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
2R2Y
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BU of 2r2y by Molmil
Crystal structure of the proteasomal Rpn13 PRU-domain
分子名称: Protein ADRM1
著者Groll, M, Walters, K, Dikic, I, Finley, D.
登録日2007-08-28
公開日2008-05-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Ubiquitin docking at the proteasome through a novel pleckstrin-homology domain interaction.
Nature, 453, 2008
3TI1
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BU of 3ti1 by Molmil
CDK2 in complex with SUNITINIB
分子名称: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide
著者Alam, R, Schonbrunn, E.
登録日2011-08-19
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2.
Chembiochem, 13, 2012
1R2R
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CRYSTAL STRUCTURE OF RABBIT MUSCLE TRIOSEPHOSPHATE ISOMERASE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Aparicio, R, Ferreira, S.T, Polikarpov, I.
登録日2003-09-29
公開日2003-12-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Closed conformation of the active site loop of rabbit muscle triosephosphate isomerase in the absence of substrate: evidence of conformational heterogeneity.
J.Mol.Biol., 334, 2003
1RFK
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Crystal Structure of 2Fe2S Ferredoxin from Thermophilic Cyanobacterium Mastigocladus Laminosus
分子名称: FE2/S2 (INORGANIC) CLUSTER, Ferredoxin
著者Fish, A, Nechushtai, R, Livnah, O.
登録日2003-11-10
公開日2005-04-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural basis for the thermostability of ferredoxin from the cyanobacterium Mastigocladus laminosus.
J.Mol.Biol., 350, 2005
1RK8
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BU of 1rk8 by Molmil
Structure of the cytosolic protein PYM bound to the Mago-Y14 core of the exon junction complex
分子名称: CALCIUM ION, CG8781-PA protein, Mago nashi protein, ...
著者Bono, F, Ebert, J, Guettler, T, Izaurralde, E, Conti, E.
登録日2003-11-21
公開日2004-04-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular insights into the interaction of PYM with the Mago-Y14 core of the exon junction complex
EMBO Rep., 5, 2004
2QQL
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BU of 2qql by Molmil
Neuropilin-2 a1a2b1b2 Domains in Complex with a Semaphorin-Blocking Fab
分子名称: Antibody Heavy Chain, Antibody Light Chain, Neuropilin-2
著者Appleton, B.A, Wiesmann, C.
登録日2007-07-26
公開日2007-11-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding
Embo J., 26, 2007

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