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4J5B
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Human Cyclophilin D Complexed with an Inhibitor
分子名称: 1-(4-aminobenzyl)-3-(2-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F.
登録日2013-02-08
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3DHF
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Crystal structure of phosphorylated mimic form of human NAMPT complexed with nicotinamide mononucleotide and pyrophosphate
分子名称: BERYLLIUM TRIFLUORIDE ION, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, ...
著者Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L.
登録日2008-06-17
公開日2009-08-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT.
Proc.Natl.Acad.Sci.USA, 106, 2009
3MLU
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Crystal structure of anti-HIV-1 V3 Fab 2557 in complex with a ZAM18 V3 peptide
分子名称: HIV-1 gp120 third variable region (V3) crown, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab light chain
著者Kong, X.-P.
登録日2010-04-18
公開日2010-07-14
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
3DHS
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Mapping metal-binding sites in the catalytic domain of bacterial RNase P RNA
分子名称: OSMIUM ION, RNase P RNA
著者Pace, N.R, Kazantsev, A.V, Krivenko, A.A.
登録日2008-06-18
公開日2009-01-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Mapping metal-binding sites in the catalytic domain of bacterial RNase P RNA
Rna, 15, 2009
4JFT
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BU of 4jft by Molmil
Crystal structure of a bacterial fucosidase with iminosugar inhibitor N-desmethyl-4-epi-(+)-Codonopsinine
分子名称: (2S,3S,4R,5S)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol, GLYCEROL, IMIDAZOLE, ...
著者Wright, D.W, Davies, G.J.
登録日2013-02-28
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
3DIB
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BU of 3dib by Molmil
Crystal structure of bovine pancreatic ribonuclease A variant (I106A)
分子名称: CHLORIDE ION, Ribonuclease pancreatic, SULFATE ION
著者Kurpiewska, K, Font, J, Ribo, M, Vilanova, M, Lewinski, K.
登録日2008-06-20
公開日2008-07-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-ray crystallographic studies of RNase A variants engineered at the most destabilizing positions of the main hydrophobic core: further insight into protein stability
Proteins, 77, 2009
4JGJ
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BU of 4jgj by Molmil
Crystal structure of the Ig-like D1 domain from mouse Carcinoembryogenic antigen-related cell adhesion molecule 15 (CEACAM15) [PSI-NYSGRC-005691]
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Carcinoembryonic antigen-related cell adhesion molecule 15, Unknown peptide
著者Kumar, P.R, Bonanno, J, Ahmed, M, Banu, R, Bhosle, R, Calarese, D, Celikigil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S, Glenn, A.S, Hillerich, B, Khafizov, K, Love, J, Patel, H, Seidel, R, Stead, M, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
登録日2013-03-01
公開日2013-03-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6508 Å)
主引用文献Crystal structure of the Ig-like D1 domain of CEACAM15 from Mus musculus [NYSGRC-005691]
to be published
3MP6
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Complex Structure of Sgf29 and dimethylated H3K4
分子名称: H3K4me2 peptide, Maltose-binding periplasmic protein,LINKER,SAGA-associated factor 29, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Li, J, Wu, M, Ruan, J, Zang, J.
登録日2010-04-25
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation
Embo J., 30, 2011
3DNX
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SPO1766 protein of unknown function from Silicibacter pomeroyi.
分子名称: SODIUM ION, uncharacterized protein SPO1766
著者Osipiuk, J, Mulligan, R, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2008-07-02
公開日2008-09-02
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献X-ray crystal structure of SPO1766 protein of unknown function from Silicibacter pomeroyi.
To be Published
4JH4
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Crystal Structure of FosB from Bacillus cereus with Nickel and Fosfomycin
分子名称: FOSFOMYCIN, Metallothiol transferase FosB, NICKEL (II) ION
著者Thompson, M.K, Harp, J, Keithly, M.E, Jagessar, K, Cook, P.D, Armstrong, R.N.
登録日2013-03-04
公開日2013-10-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Chemical Aspects of Resistance to the Antibiotic Fosfomycin Conferred by FosB from Bacillus cereus.
Biochemistry, 52, 2013
3DOO
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BU of 3doo by Molmil
Crystal structure of shikimate dehydrogenase from Staphylococcus epidermidis complexed with shikimate
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, Shikimate dehydrogenase
著者Han, C, Hu, T, Wu, D, Zhou, J, Shen, X, Qu, D, Jiang, H.
登録日2008-07-05
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray crystallographic and enzymatic analyses of shikimate dehydrogenase from Staphylococcus epidermidis
Febs J., 276, 2009
4JI2
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BU of 4ji2 by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
分子名称: 16S rRNA, MAGNESIUM ION, RIBOSOMAL PROTEIN S10, ...
著者Demirci, H, Wang, L, Murphy IV, F, Murphy, E, Carr, J, Blanchard, S, Jogl, G, Dahlberg, A.E, Gregory, S.T.
登録日2013-03-05
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.64 Å)
主引用文献The central role of protein S12 in organizing the structure of the decoding site of the ribosome.
Rna, 19, 2013
4J9E
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BU of 4j9e by Molmil
Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P17
分子名称: P17, SULFATE ION, Tyrosine-protein kinase ABL1
著者Camara-Artigas, A.
登録日2013-02-16
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P17
To be Published
4O2I
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BU of 4o2i by Molmil
The crystal structure of non-LEE encoded type III effector C from Citrobacter rodentium
分子名称: Non-LEE encoded type III effector C, ZINC ION
著者Chang, C, Xu, X, Cui, H, Savchenko, A, Adkins, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP)
登録日2013-12-17
公開日2014-01-15
最終更新日2014-05-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structure of non-LEE encoded type III effector C from Citrobacter rodentium
To be Published
3DRM
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BU of 3drm by Molmil
2.2 Angstrom Crystal Structure of Thr114Phe Alpha1-Antitrypsin
分子名称: Alpha-1-antitrypsin
著者Gooptu, B, Nobeli, I, Purkiss, A, Phillips, R.L, Mallya, M, Lomas, D.A, Barrett, T.E.
登録日2008-07-11
公開日2009-03-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic and cellular characterisation of two mechanisms stabilising the native fold of alpha1-antitrypsin: implications for disease and drug design.
J.Mol.Biol., 387, 2009
4O3Z
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BU of 4o3z by Molmil
Crystal structure of the vaccine antigen Transferrin Binding Protein B (TbpB) mutant Tyr-95-Ala from Actinobacillus pleuropneumoniae H87
分子名称: ACETATE ION, GLYCEROL, Outer membrane protein; transferrin-binding protein
著者Calmettes, C, Yu, R.H, Schryvers, A.B, Moraes, T.F.
登録日2013-12-18
公開日2015-01-14
最終更新日2015-03-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Nonbinding site-directed mutants of transferrin binding protein B exhibit enhanced immunogenicity and protective capabilities.
Infect.Immun., 83, 2015
4O4G
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BU of 4o4g by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in complex with 4-((4-(mesitylamino)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ527), a non-nucleoside inhibitor
分子名称: 4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile, HIV-1 reverse transcriptase, p51 subunit, ...
著者Mislak, A.C, Frey, K.M.
登録日2013-12-18
公開日2014-11-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.712 Å)
主引用文献A mechanistic and structural investigation of modified derivatives of the diaryltriazine class of NNRTIs targeting HIV-1 reverse transcriptase.
Biochim.Biophys.Acta, 1840, 2014
4JL2
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BU of 4jl2 by Molmil
Crystal structure of a bacterial fucosidase with a monovalent iminocyclitol inhibitor
分子名称: (3S,4R,5S)-N-benzyl-3,4-dihydroxy-5-methyl-D-prolinamide, GLYCEROL, IMIDAZOLE, ...
著者Wright, D.W, Davies, G.J.
登録日2013-03-12
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Exploring a Multivalent Approach to alpha-L-Fucosidase Inhibition
EUR.J.ORG.CHEM., 2013, 2013
3ML2
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Human carbonic anhydsase II in complex with an aryl sulfonamide inhibitor
分子名称: 2-(7-methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R.
登録日2010-04-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Coumarinyl-substituted sulfonamides strongly inhibit several human carbonic anhydrase isoforms: solution and crystallographic investigations.
Bioorg.Med.Chem., 18, 2010
3MLC
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Crystal structure of FG41MSAD inactivated by 3-chloropropiolate
分子名称: 3-chloro-3-oxopropanoic acid, FG41 Malonate Semialdehyde Decarboxylase
著者Guo, Y, Serrano, H, Poelarends, G.J, Johnson Jr, W.H, Hackert, M.L, Whitman, C.P.
登録日2010-04-16
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.224 Å)
主引用文献Kinetic, Mutational, and Structural Analysis of Malonate Semialdehyde Decarboxylase from Coryneform Bacterium Strain FG41: Mechanistic Implications for the Decarboxylase and Hydratase Activities.
Biochemistry, 52, 2013
3E0S
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BU of 3e0s by Molmil
Crystal structure of an uncharacterized protein from Chlorobium tepidum
分子名称: SULFATE ION, uncharacterized protein
著者Bonanno, J.B, Dickey, M, Bain, K.T, Powell, A, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-07-31
公開日2008-08-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal structure of an uncharacterized protein from Chlorobium tepidum
To be Published
3MLR
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Crystal structure of anti-HIV-1 V3 Fab 2557 in complex with a NY5 V3 peptide
分子名称: HIV-1 gp120 third variable region (V3) crown, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab light chain
著者Kong, X.-P.
登録日2010-04-18
公開日2010-07-14
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
4JEB
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Crystal structure of an engineered RIDC1 tetramer with four interfacial disulfide bonds and four three-coordinate Zn(II) sites
分子名称: PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, soluble cytochrome b562
著者Tezcan, F.A, Medina-Morales, A.M, Perez, A, Brodin, J.D.
登録日2013-02-26
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献In Vitro and Cellular Self-Assembly of a Zn-Binding Protein Cryptand via Templated Disulfide Bonds.
J.Am.Chem.Soc., 135, 2013
3M2R
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Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
分子名称: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, Coenzyme B, ...
著者Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
登録日2010-03-08
公開日2010-09-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
3DRE
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BU of 3dre by Molmil
Crystal structure of Human Brain-type Creatine Kinase
分子名称: Creatine kinase B-type
著者Moon, J.H, Bong, S.M, Hwang, K.Y, Chi, Y.M.
登録日2008-07-11
公開日2009-03-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural studies of human brain-type creatine kinase complexed with the ADP-Mg2+-NO3- -creatine transition-state analogue complex
Febs Lett., 582, 2008

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