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3RSX
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BU of 3rsx by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 6-(Thiophen-3-yl)quinolin-2-amine
Descriptor: 6-(thiophen-3-yl)quinolin-2-amine, Beta-secretase 1, IODIDE ION
Authors:Sickmier, E.A.
Deposit date:2011-05-02
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.48 Å)
Cite: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
Descriptor: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.66 Å)
Cite: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
Descriptor: 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one, BROMIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.73 Å)
Cite: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
Descriptor: 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', ...
Authors:Temiakov, D, Patlan, V, Anikin, M, McAllister, W.T, Yokoyama, S, Vassylyev, D.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-01-05
Release date:2004-02-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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
Descriptor: 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-03
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.76 Å)
Cite: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
Descriptor: DNA (5'-D(*TP*A)-3')
Authors:Nishinaka, T, Ito, Y, Yokoyama, S, Shibata, T.
Deposit date:1997-04-17
Release date:1997-10-22
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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
Descriptor: 3-(2-aminoquinolin-3-yl)-N-(cyclohexylmethyl)propanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-04
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT SH3 DOMAIN
Authors:Koyama, S, Yu, H, Dalgarno, D.C, Shin, T.B, Zydowsky, L.D, Schreiber, S.L.
Deposit date:1994-03-07
Release date:1994-05-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: CALCIUM ION, DEVELOPMENT-SPECIFIC PROTEIN S
Authors:Bagby, S, Harvey, T.S, Eagle, S.G, Inouye, S, Ikura, M.
Deposit date:1994-03-25
Release date:1994-08-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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
Descriptor: Cyclic GMP-AMP synthase, DNA-F, DNA-R, ...
Authors:Gao, P, Wu, Y, Patel, D.J.
Deposit date:2013-04-19
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.084 Å)
Cite: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)
Descriptor: 10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA), PENTAETHYLENE GLYCOL, SULFATE ION, ...
Authors:Jansson, A, Niemi, J, Mantsala, P, Schneider, G, Structural Proteomics in Europe (SPINE)
Deposit date:2003-07-18
Release date:2003-11-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: (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, ...
Authors: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.
Deposit date:2011-10-28
Release date:2012-04-18
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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)
Descriptor: SULFATE ION, Thermosome alpha subunit
Authors:Shomura, Y, Yoshida, T, Iizuka, R, Maruyama, T, Yohda, M, Miki, K.
Deposit date:2003-07-31
Release date:2004-01-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: DNA (5'-D(*CP*CP*AP*GP*GP*CP*(5CM)P*TP*GP*G)-3'), MAGNESIUM ION
Authors:Heinemann, U, Hahn, M.
Deposit date:1991-04-23
Release date:1991-04-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, PHOSPHATE ION, Reverse transcriptase
Authors:Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K.
Deposit date:2004-01-07
Release date:2004-06-29
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: CITRIC ACID, Cytochrome c peroxidase, HEME C
Authors:Dias, J.M, Alves, T, Bonifacio, C, Pereira, A, Bourgeois, D, Moura, I, Romao, M.J.
Deposit date:2003-12-24
Release date:2004-06-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: Abelson tyrosine-protein kinase 2, Lysozyme C, Src substrate cortactin
Authors:Liu, W, MacGrath, S, Koleske, A.J, Boggon, T.J.
Deposit date:2011-11-11
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: GLYCEROL, Neuropilin-1
Authors:Appleton, B.A, Desmarais, W, Wiesmann, C.
Deposit date:2007-07-26
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: Protein ADRM1
Authors:Groll, M, Walters, K, Dikic, I, Finley, D.
Deposit date:2007-08-28
Release date:2008-05-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 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
Authors:Alam, R, Schonbrunn, E.
Deposit date:2011-08-19
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2.
Chembiochem, 13, 2012
1R2R
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BU of 1r2r by Molmil
CRYSTAL STRUCTURE OF RABBIT MUSCLE TRIOSEPHOSPHATE ISOMERASE
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Aparicio, R, Ferreira, S.T, Polikarpov, I.
Deposit date:2003-09-29
Release date:2003-12-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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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BU of 1rfk by Molmil
Crystal Structure of 2Fe2S Ferredoxin from Thermophilic Cyanobacterium Mastigocladus Laminosus
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Ferredoxin
Authors:Fish, A, Nechushtai, R, Livnah, O.
Deposit date:2003-11-10
Release date:2005-04-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.25 Å)
Cite: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
Descriptor: CALCIUM ION, CG8781-PA protein, Mago nashi protein, ...
Authors:Bono, F, Ebert, J, Guettler, T, Izaurralde, E, Conti, E.
Deposit date:2003-11-21
Release date:2004-04-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: Antibody Heavy Chain, Antibody Light Chain, Neuropilin-2
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2007-07-26
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding
Embo J., 26, 2007

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數據於2024-09-25公開中

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