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4IIE
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Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with calystegine B(2)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S.
登録日2012-12-20
公開日2013-04-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus
Biochem.J., 452, 2013
4IMQ
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BU of 4imq by Molmil
Structural Basis of Substrate Specificity and Protease Inhibition in Norwalk Virus
分子名称: 3C-like protease, PEPTIDE INHIBITOR, syc8, ...
著者Prasad, B.V.V, Muhaxhiri, Z, Deng, L, Shanker, S, Sankaran, B, Estes, M.K, Palzkill, T, Song, Y.
登録日2013-01-03
公開日2013-02-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of substrate specificity and protease inhibition in norwalk virus.
J.Virol., 87, 2013
1V47
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Crystal structure of ATP sulfurylase from Thermus thermophillus HB8 in complex with APS
分子名称: ADENOSINE-5'-PHOSPHOSULFATE, ATP sulfurylase, CHLORIDE ION, ...
著者Taguchi, Y, Sugishima, M, Fukuyama, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-11-11
公開日2004-04-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Crystal structure of a novel zinc-binding ATP sulfurylase from Thermus thermophilus HB8
Biochemistry, 43, 2004
3BKM
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BU of 3bkm by Molmil
Structure of anti-amyloid-beta Fab WO2 (Form A, P212121)
分子名称: SODIUM ION, WO2 IgG2a Fab fragment Heavy Chain, WO2 IgG2a Fab fragment Light Chain Kappa, ...
著者Miles, L.A, Wun, K.S, Crespi, G.A, Fodero-Tavoletti, M, Galatis, D, Bageley, C.J, Beyreuther, K, Masters, C.L, Cappai, R, McKinstry, W.J, Barnham, K.J, Parker, M.W.
登録日2007-12-07
公開日2008-04-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Amyloid-beta-anti-amyloid-beta complex structure reveals an extended conformation in the immunodominant B-cell epitope.
J.Mol.Biol., 377, 2008
4IHS
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BU of 4ihs by Molmil
Crystal Structure of BenM_DBD/catB site 1 DNA Complex
分子名称: HTH-type transcriptional regulator BenM, MALONATE ION, SODIUM ION, ...
著者Alanazi, A, Momany, C, Neidle, E.L.
登録日2012-12-19
公開日2013-07-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The DNA-binding domain of BenM reveals the structural basis for the recognition of a T-N11-A sequence motif by LysR-type transcriptional regulators.
Acta Crystallogr.,Sect.D, 69, 2013
4H1P
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BU of 4h1p by Molmil
Use of Europium for SAD Phasing at the Cu K alpha wavelength
分子名称: CHLORIDE ION, EUROPIUM ION, Lysozyme C, ...
著者Vijayakumar, B, Velmurugan, D.
登録日2012-09-11
公開日2012-10-24
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Use of europium ions for SAD phasing of Lysozyme at the Cu Kalpha wavelength
Acta Crystallogr.,Sect.F, 69, 2013
4HDB
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BU of 4hdb by Molmil
Crystal Structure of HIV-1 protease mutants D30N complexed with inhibitor GRL-0519
分子名称: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 Protease, ...
著者Zhang, H, Wang, Y.-F, Shen, C.H, Agniswamy, J, Weber, I.T.
登録日2012-10-02
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
2ZHW
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BU of 2zhw by Molmil
Exploring thrombin S3 pocket
分子名称: Hirudin variant-2, N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide, SODIUM ION, ...
著者Brandt, T, Baum, B, Heine, A, Klebe, G.
登録日2008-02-08
公開日2009-02-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Exploring thrombin S3 pocket
To be Published
4H88
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BU of 4h88 by Molmil
Structure of POM1 FAB fragment complexed with mouse PrPc Fragment 120-230
分子名称: Major prion protein, POM1 FAB CHAIN H, POM1 FAB CHAIN L, ...
著者Baral, P.K, Wieland, B, Swayampakula, M, James, M.N.
登録日2012-09-21
公開日2013-07-31
最終更新日2013-09-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The toxicity of antiprion antibodies is mediated by the flexible tail of the prion protein.
Nature, 501, 2013
3HVI
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BU of 3hvi by Molmil
Rat catechol O-methyltransferase in complex with a catechol-type, N6-ethyladenine-containing bisubstrate inhibitor
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, CHLORIDE ION, Catechol O-methyltransferase, ...
著者Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
登録日2009-06-16
公開日2009-10-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor.
Angew.Chem.Int.Ed.Engl., 48, 2009
2ZO3
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BU of 2zo3 by Molmil
Bisphenylic Thrombin Inhibitors
分子名称: Hirudin variant-1, SODIUM ION, Thrombin heavy chain, ...
著者Baum, B, Heine, A, Klebe, G.
登録日2008-05-05
公開日2009-04-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin
J.Mol.Biol., 391, 2009
3I58
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BU of 3i58 by Molmil
Crystal structure of an O-methyltransferase (NcsB1) from neocarzinostatin biosynthesis in complex with S-adenosyl-L-homocysteine (SAH) and 2-hydroxy-7-methoxy-5-methyl naphthoic acid (NA)
分子名称: 2-hydroxy-7-methoxy-5-methyl naphthoic acid, GLYCEROL, O-methyltransferase, ...
著者Cooke, H.A, Bruner, S.D.
登録日2009-07-03
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Molecular basis of substrate promiscuity for the SAM-dependent O-methyltransferase NcsB1, involved in the biosynthesis of the enediyne antitumor antibiotic neocarzinostatin.
Biochemistry, 48, 2009
4HHD
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BU of 4hhd by Molmil
2.75 Angstrom resolution crystal structure of the A. thaliana LOV2 domain with an extended N-terminal A' helix (cryo dark structure)
分子名称: FLAVIN MONONUCLEOTIDE, Phototropin-1, SODIUM ION
著者Halavaty, A.S, Moffat, K.
登録日2012-10-09
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Coiled-coil dimerization of the LOV2 domain of the blue-light photoreceptor phototropin 1 from Arabidopsis thaliana.
Acta Crystallogr.,Sect.F, 69, 2013
2ZF0
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BU of 2zf0 by Molmil
Exploring Thrombin S1 Pocket
分子名称: D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ...
著者Baum, B, Heine, A, Klebe, G.
登録日2007-12-18
公開日2008-11-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Exploring Thrombin S1 pocket
To be Published
3L27
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BU of 3l27 by Molmil
Crystal structure of Zaire Ebola VP35 interferon inhibitory domain R312A mutant
分子名称: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
著者Leung, D.W, Prins, K.C, Borek, D.M, Farahbakhsh, M, Tufariello, J.M, Ramanan, P, Nix, J.C, Helgeson, L.A, Otwinowski, Z, Honzatko, R.B, Basler, C.F, Amarasinghe, G.K.
登録日2009-12-14
公開日2010-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for dsRNA recognition and interferon antagonism by Ebola VP35.
Nat.Struct.Mol.Biol., 17, 2010
4IQU
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BU of 4iqu by Molmil
Tdt core in complex with inhibitor (2Z,5E)-6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid
分子名称: (2Z,5E)-6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid, DNA nucleotidylexotransferase, SODIUM ION
著者Gouge, J, Delarue, M.
登録日2013-01-13
公開日2013-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target.
J.Med.Chem., 56, 2013
4IQV
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BU of 4iqv by Molmil
Tdt core in complex with inhibitor 6-[4-(3-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid and ssDNA
分子名称: 5'-D(*GP*CP*CP*G)-3', 6-[4-(3-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid, DNA nucleotidylexotransferase, ...
著者Gouge, J, Delarue, M.
登録日2013-01-13
公開日2013-09-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target.
J.Med.Chem., 56, 2013
4IQW
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BU of 4iqw by Molmil
Tdt core in complex with inhibitor (2Z,5E)-6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid and ssDNA
分子名称: (2Z,5E)-6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid, 5'-D(*GP*CP*CP*G)-3', DNA nucleotidylexotransferase, ...
著者Gouge, J, Delarue, M.
登録日2013-01-13
公開日2013-09-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target.
J.Med.Chem., 56, 2013
4IN9
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BU of 4in9 by Molmil
Structure of karilysin MMP-like catalytic domain in complex with inhibitory tetrapeptide SWFP
分子名称: GLYCEROL, Karilysin protease, POTASSIUM ION, ...
著者Guevara, T, Ksiazek, M, Skottrup, P.D, Cerda-Costa, N, Trillo-Muyo, S, de Diego, I, Riise, E, Potempa, J, Gomis-Ruth, F.X.
登録日2013-01-04
公開日2013-05-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of the catalytic domain of the Tannerella forsythia matrix metallopeptidase karilysin in complex with a tetrapeptidic inhibitor.
Acta Crystallogr.,Sect.F, 69, 2013
4IS9
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BU of 4is9 by Molmil
Crystal Structure of the Escherichia coli LpxC/L-161,240 complex
分子名称: (4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide, ISOPROPYL ALCOHOL, SODIUM ION, ...
著者Lee, C.-J, Zhou, P.
登録日2013-01-16
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
1V6S
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BU of 1v6s by Molmil
Crystal Structure of Phosphoglycerate Kinase from Thermus thermophilus HB8
分子名称: GLYCEROL, Phosphoglycerate kinase, SODIUM ION
著者Mizutani, H, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-12-04
公開日2003-12-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Phosphoglycerate Kinase from Thermus thermophilus HB8
To be Published
4GRN
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BU of 4grn by Molmil
crystal structure of PAAM mutant of human MIF
分子名称: CHLORIDE ION, Macrophage migration inhibitory factor, SODIUM ION, ...
著者Fan, C, Lolis, E, Rajesekaran, D.
登録日2012-08-26
公開日2013-09-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献crystallographic and biological chacerterization of N- and C-terminus of MIF
To be Published
3HUP
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BU of 3hup by Molmil
High-resolution structure of the extracellular domain of human CD69
分子名称: CHLORIDE ION, Early activation antigen CD69, SODIUM ION
著者Kolenko, P, Dohnalek, J, Skalova, T, Hasek, J, Duskova, J, Vanek, O, Bezouska, K.
登録日2009-06-15
公開日2009-12-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.371 Å)
主引用文献The high-resolution structure of the extracellular domain of human CD69 using a novel polymer
Acta Crystallogr.,Sect.F, 65, 2009
4GVC
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BU of 4gvc by Molmil
Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ in complex with phosphorylated Syndecan1 Peptide
分子名称: 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID), CHLORIDE ION, SODIUM ION, ...
著者Liu, X, Shepherd, T.R, Murray, A.M, Xu, Z, Fuentes, E.J.
登録日2012-08-30
公開日2013-03-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献The structure of the Tiam1 PDZ domain/ phospho-syndecan1 complex reveals a ligand conformation that modulates protein dynamics.
Structure, 21, 2013
3I44
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Crystal structure of aldehyde dehydrogenase from bartonella henselae at 2.0A resolution
分子名称: Aldehyde dehydrogenase, SODIUM ION, UNKNOWN ATOM OR ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-07-01
公開日2009-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of aldehyde dehydrogenase from bartonella henselae at 2.0A resolution
To be Published

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