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3DW4
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BU of 3dw4 by Molmil
Crystal Structure of the Sarcin/Ricin Domain from E. COLI 23 S rRNA, U2650-OCH3 modified
分子名称: GLYCEROL, Sarcin/Ricin Domain from E. Coli 23 S rRNA
著者Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E.
登録日2008-07-21
公開日2009-03-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献A fast selenium derivatization strategy for crystallization and phasing of RNA structures.
Rna, 15, 2009
3PC6
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BU of 3pc6 by Molmil
X-ray crystal structure of the second XRCC1 BRCT domain.
分子名称: DNA repair protein XRCC1
著者Cuneo, M.J, Krahn, J.M, London, R.E.
登録日2010-10-21
公開日2011-06-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structural basis for partitioning of the XRCC1/DNA ligase III-{alpha} BRCT-mediated dimer complexes.
Nucleic Acids Res., 39, 2011
3DZ4
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BU of 3dz4 by Molmil
Human AdoMetDC with 5'-[(2-carboxamidoethyl)methylamino]-5'-deoxy-8-methyladenosine
分子名称: 1,4-DIAMINOBUTANE, 3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid e, S-adenosylmethionine decarboxylase alpha chain, ...
著者Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E.
登録日2008-07-29
公開日2009-03-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine
J.Med.Chem., 52, 2009
3PC7
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BU of 3pc7 by Molmil
X-ray crystal structure of the DNA ligase III-alpha BRCT domain.
分子名称: DNA ligase 3
著者Cuneo, M.J, Krahn, J.M, London, R.E.
登録日2010-10-21
公開日2011-06-15
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The structural basis for partitioning of the XRCC1/DNA ligase III-{alpha} BRCT-mediated dimer complexes.
Nucleic Acids Res., 39, 2011
4O0K
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BU of 4o0k by Molmil
Crystal structure of 1-pyrroline-4-hydroxy-2-carboxylate deaminase from Brucella melitensis with covalently bound substrate
分子名称: 1,2-ETHANEDIOL, Dihydrodipicolinate synthetase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-12-13
公開日2014-01-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of 1-pyrroline-4-hydroxy-2-carboxylate deaminase from Brucella melitensis with covalently bound substrate
To be Published
3PC4
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BU of 3pc4 by Molmil
Full length structure of cystathionine beta-synthase from Drosophila in complex with serine
分子名称: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, CG1753, isoform A, ...
著者Koutmos, M, Smith, J.L.
登録日2010-10-21
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for substrate activation and regulation by cystathionine beta-synthase (CBS) domains in cystathionine {beta}-synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
3PDJ
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BU of 3pdj by Molmil
Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with 4,4-Disubstituted Cyclohexylbenzamide Inhibitor
分子名称: Corticosteroid 11-beta-dehydrogenase isozyme 1, N-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wang, Z, Sudom, A, Walker, N.P.
登録日2010-10-22
公開日2011-10-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis and Optimization of Novel 4,4-Disubstituted Cyclohexylbenzamide Derivatives as Potent 11beta-HSD1 Inhibitors
Bioorg.Med.Chem.Lett., 21, 2011
3DLQ
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BU of 3dlq by Molmil
Crystal structure of the IL-22/IL-22R1 complex
分子名称: Interleukin-22, Interleukin-22 receptor subunit alpha-1
著者Bleicher, L, de Moura, P.R, Watanabe, L, Colau, D, Dumoutier, L, Renauld, J.-C, Polikarpov, I.
登録日2008-06-28
公開日2008-08-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the IL-22/IL-22R1 complex and its implications for the IL-22 signaling mechanism
Febs Lett., 582, 2008
4O3Y
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BU of 4o3y by Molmil
Crystal structure of the vaccine antigen Transferrin Binding Protein B (TbpB) mutant Arg-179-Glu 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 (2.6 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
3DMM
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BU of 3dmm by Molmil
Crystal structure of the CD8 alpha beta/H-2Dd complex
分子名称: Beta-2 microglobulin, H-2 class I histocompatibility antigen, D-D alpha chain, ...
著者Wang, R, Natarajan, K, Margulies, D.H.
登録日2008-07-01
公開日2009-07-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of the CD8alphabeta/MHC class i interaction: focused recognition orients CD8beta to a T cell proximal position.
J.Immunol., 183, 2009
4O4X
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BU of 4o4x by Molmil
Crystal structure of the vaccine antigen Transferrin Binding Protein B (TbpB) double mutant Tyr-167-Ala and Trp-176-Ala from Haemophilus parasuis Hp5
分子名称: GLYCEROL, SODIUM ION, SULFATE ION, ...
著者Calmettes, C, Yu, R.H, Schryvers, A.B, Moraes, T.F.
登録日2013-12-19
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
3PDC
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BU of 3pdc by Molmil
Crystal structure of hydrolase domain of human soluble epoxide hydrolase complexed with a benzoxazole inhibitor
分子名称: Epoxide hydrolase 2, N-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide
著者Kurumbail, R.G, Williams, J.M.
登録日2010-10-22
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of potent inhibitors of soluble epoxide hydrolase by combinatorial library design and structure-based virtual screening.
J.Med.Chem., 54, 2011
4NLO
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BU of 4nlo by Molmil
Poliovirus Polymerase - C290I Loop Mutant
分子名称: ACETIC ACID, PENTAETHYLENE GLYCOL, RNA-directed RNA polymerase 3D-POL, ...
著者Sholders, A.J, Peersen, O.B.
登録日2013-11-14
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Distinct conformations of a putative translocation element in poliovirus polymerase.
J.Mol.Biol., 426, 2014
3PC2
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BU of 3pc2 by Molmil
Full length structure of cystathionine beta-synthase from Drosophila
分子名称: CG1753, isoform A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Koutmos, M, Smith, J.L.
登録日2010-10-21
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for substrate activation and regulation by cystathionine beta-synthase (CBS) domains in cystathionine {beta}-synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
4NN1
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BU of 4nn1 by Molmil
Crystal Structure of transcriptional regulator Rv1219c of Mycobacterium tuberculosis
分子名称: Transcriptional regulator
著者Kumar, N, Radhakrishnan, A, Chou, T.-H, Yu, E.
登録日2013-11-15
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Crystal structure of the transcriptional regulator Rv1219c of Mycobacterium tuberculosis.
Protein Sci., 23, 2014
4JR4
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BU of 4jr4 by Molmil
Crystal structure of Mtb DsbA (Oxidized)
分子名称: Possible conserved membrane or secreted protein, SULFATE ION
著者Wang, L.
登録日2013-03-21
公開日2013-07-17
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.498 Å)
主引用文献Structure analysis of the extracellular domain reveals disulfide bond forming-protein properties of Mycobacterium tuberculosis Rv2969c.
Protein Cell, 4, 2013
5RSJ
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BU of 5rsj by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000089254160_N3
分子名称: 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
4O5R
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BU of 4o5r by Molmil
Crystal structure of Alkylhydroperoxide Reductase subunit C from E. coli
分子名称: AhpC component, subunit of alkylhydroperoxide reductase
著者Dip, P.V, Kamariah, N, Manimekalai, M.S.S, Gruber, G, Eisenhaber, F, Eisenhaber, B.
登録日2013-12-20
公開日2014-11-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Structure, mechanism and ensemble formation of the alkylhydroperoxide reductase subunits AhpC and AhpF from Escherichia coli
Acta Crystallogr.,Sect.D, 70, 2014
5RT0
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BU of 5rt0 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002582714
分子名称: 6-methyl-1H-indole-2-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RTH
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BU of 5rth by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000156863
分子名称: 3-chlorobenzoate, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
4JSP
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BU of 4jsp by Molmil
structure of mTORDeltaN-mLST8-ATPgammaS-Mg complex
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase mTOR, ...
著者Pavletich, N.P, Yang, H.
登録日2013-03-22
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
3DN7
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BU of 3dn7 by Molmil
Cyclic nucleotide binding regulatory protein from Cytophaga hutchinsonii.
分子名称: 1,2-ETHANEDIOL, Cyclic nucleotide binding regulatory protein, GLYCEROL
著者Osipiuk, J, Maltseva, N, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2008-07-01
公開日2008-08-26
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystal structure of cyclic nucleotide binding regulatory protein from Cytophaga hutchinsonii.
To be Published
3O86
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BU of 3o86 by Molmil
Crystal structure of AmpC beta-lactamase in complex with a sulfonamide boronic acid inhibitor
分子名称: Beta-lactamase, PHOSPHATE ION, {[(benzylsulfonyl)amino]methyl}boronic acid
著者Eidam, O, Romagnoli, C, Karpiak, J, Shoichet, B.K.
登録日2010-08-02
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design, Synthesis, Crystal Structures, and Antimicrobial Activity of Sulfonamide Boronic Acids as beta-Lactamase Inhibitors
J.Med.Chem., 53, 2010
5RTZ
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BU of 5rtz by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000404062
分子名称: 3-FLUORO-4-HYDROXYBENZOIC ACID, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
3O8R
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BU of 3o8r by Molmil
Visualizing ATP-dependent RNA Translocation by the NS3 Helicase from HCV
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, HCV NS3 protease/helicase, ...
著者Appleby, T.C, Somoza, J.R.
登録日2010-08-03
公開日2011-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Visualizing ATP-Dependent RNA Translocation by the NS3 Helicase from HCV.
J.Mol.Biol., 405, 2011

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