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1XE3
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BU of 1xe3 by Molmil
Crystal Structure of purine nucleoside phosphorylase DeoD from Bacillus anthracis
分子名称: CHLORIDE ION, purine nucleoside phosphorylase
著者Grenha, R, Levdikov, V.M, Fogg, M, Blagova, E.V, Brannigan, J.A, Wilkinson, A.J, Wilson, K.S, Structural Proteomics in Europe (SPINE)
登録日2004-09-09
公開日2004-10-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure of purine nucleoside phosphorylase (DeoD) from Bacillus anthracis.
Acta Crystallogr.,Sect.F, 61, 2005
5C7U
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BU of 5c7u by Molmil
5'-monophosphate wt Guanine Riboswitch bound to hypoxanthine.
分子名称: 5'-monophosphate wt guanine riboswitch, COBALT HEXAMMINE(III), HYPOXANTHINE
著者Hernandez, A.R, Shao, Y, Hoshika, S, Yang, Z, Shelke, S.A, Herrou, J, Kim, H.-J, Kim, M.-J, Piccirilli, J.A, Benner, S.A.
登録日2015-06-24
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献A Crystal Structure of a Functional RNA Molecule Containing an Artificial Nucleobase Pair.
Angew.Chem.Int.Ed.Engl., 54, 2015
1XBY
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BU of 1xby by Molmil
Structure of 3-keto-L-gulonate 6-phosphate decarboxylase E112D/T169A mutant with bound D-ribulose 5-phosphate
分子名称: 3-keto-L-gulonate 6-phosphate decarboxylase, MAGNESIUM ION, RIBULOSE-5-PHOSPHATE
著者Wise, E.L, Yew, W.S, Akana, J, Gerlt, J.A, Rayment, I.
登録日2004-08-31
公開日2005-04-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Evolution of enzymatic activities in the orotidine 5'-monophosphate decarboxylase suprafamily: structural basis for catalytic promiscuity in wild-type and designed mutants of 3-keto-L-gulonate 6-phosphate decarboxylase
Biochemistry, 44, 2005
1KJV
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BU of 1kjv by Molmil
TAP-B-associated rat MHC class I molecule
分子名称: Mature alpha chain of major histocompatibility complex class I antigen (HEAVY CHAIN), SULFATE ION, beta-2-microglobulin, ...
著者Rudolph, M.G, Stevens, J, Speir, J.A, Trowsdale, J, Butcher, G.W, Joly, E, Wilson, I.A.
登録日2001-12-05
公開日2002-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal structures of two rat MHC class Ia (RT1-A) molecules that are associated differentially with peptide transporter alleles TAP-A and TAP-B.
J.Mol.Biol., 324, 2002
3WIP
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BU of 3wip by Molmil
Crystal structure of acetylcholine bound to Ls-AChBP
分子名称: ACETATE ION, ACETYLCHOLINE, Acetylcholine-binding protein, ...
著者Olsen, J.A, Balle, T, Gajhede, M, Ahring, P.K, Kastrup, J.S.
登録日2013-09-24
公開日2014-04-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular recognition of the neurotransmitter acetylcholine by an acetylcholine binding protein reveals determinants of binding to nicotinic acetylcholine receptors
Plos One, 9, 2014
1XBZ
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BU of 1xbz by Molmil
Crystal structure of 3-keto-L-gulonate 6-phosphate decarboxylase E112D/R139V/T169A mutant with bound L-xylulose 5-phosphate
分子名称: 3-Keto-L-Gulonate 6-Phosphate Decarboxylase, L-XYLULOSE 5-PHOSPHATE, MAGNESIUM ION
著者Wise, E.L, Yew, W.S, Akana, J, Gerlt, J.A, Rayment, I.
登録日2004-08-31
公開日2005-04-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Evolution of enzymatic activities in the orotidine 5'-monophosphate decarboxylase suprafamily: structural basis for catalytic promiscuity in wild-type and designed mutants of 3-keto-L-gulonate 6-phosphate decarboxylase
Biochemistry, 44, 2005
1XCU
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BU of 1xcu by Molmil
oligonucleotid/drug complex
分子名称: 1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-9,10-DIONE, 5'-D(*CP*GP*TP*AP*CP*G)-3', BARIUM ION, ...
著者Valls, N, Steiner, R.A, Wright, G, Murshudov, G.N, Subirana, J.A.
登録日2004-09-03
公開日2005-07-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Variable role of ions in two drug intercalation complexes of DNA
J.Biol.Inorg.Chem., 10, 2005
1XDC
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BU of 1xdc by Molmil
Hydrogen Bonding in Human Manganese Superoxide Dismutase containing 3-Fluorotyrosine
分子名称: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
著者Ayala, I, Perry, J.J, Szczepanski, J, Cabelli, D.E, Tainer, J.A, Vala, M.T, Nick, H.S, Silverman, D.N.
登録日2004-09-05
公開日2005-03-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Hydrogen bonding in human manganese superoxide dismutase containing 3-fluorotyrosine
Biophys.J., 89, 2005
1XRE
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BU of 1xre by Molmil
Crystal Structure of SodA-2 (BA5696) from Bacillus anthracis at 1.8A Resolution.
分子名称: MANGANESE (II) ION, Superoxide dismutase
著者Boucher, I.W, Levdikov, V.M, Blagova, E.V, Fogg, M.J, Brannigan, J.A, Wilkinson, A.J, Wilson, K.S.
登録日2004-10-14
公開日2005-07-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of two superoxide dismutases from Bacillus anthracis reveal a novel active centre.
Acta Crystallogr.,Sect.F, 61, 2005
1XEQ
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BU of 1xeq by Molmil
Crystal tructure of RNA binding domain of influenza B virus non-structural protein
分子名称: BROMIDE ION, Nonstructural protein NS1
著者Khan, J.A, Yin, C, Krug, R.M, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2004-09-11
公開日2005-09-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conserved surface features form the double-stranded RNA binding site of non-structural protein 1 (NS1) from influenza A and B viruses.
J.Biol.Chem., 282, 2007
1JGG
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BU of 1jgg by Molmil
Even-skipped Homeodomain Complexed to AT-rich DNA
分子名称: 5'-D(P*AP*AP*TP*TP*CP*AP*AP*TP*TP*A)-3', 5'-D(P*TP*AP*AP*TP*TP*GP*AP*AP*TP*T)-3', Segmentation Protein Even-Skipped
著者Hirsch, J.A, Aggarwal, A.K.
登録日2001-06-25
公開日2001-07-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the even-skipped homeodomain complexed to AT-rich DNA: new perspectives on homeodomain specificity.
EMBO J., 14, 1995
1XIV
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BU of 1xiv by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with 2-({4-chloro-[hydroxy(methoxy)methyl]cyclohexyl}amino)ethane-1,1,2-triol
分子名称: 2-({4-CHLORO-2-[HYDROXY(METHOXY)METHYL]CYCLOHEXYL}AMINO)ETHANE-1,1,2-TRIOL, GLYCEROL, L-lactate dehydrogenase
著者Conners, R, Cameron, A, Read, J.A, Schambach, F, Sessions, R.B, Brady, R.L.
登録日2004-09-22
公開日2005-06-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mapping the binding site for gossypol-like inhibitors of Plasmodium falciparum lactate dehydrogenase
MOL.BIOCHEM.PARASITOL., 142, 2005
5CFP
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BU of 5cfp by Molmil
Crystal structure of anemone STING (Nematostella vectensis) 'humanized' F276K in complex with 3', 3' c-di-GMP, c[G(3', 5')pG(3', 5')p]'
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Stimulator of Interferon Genes
著者Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E.
登録日2015-07-08
公開日2015-08-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.066 Å)
主引用文献Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling.
Mol.Cell, 59, 2015
5CNK
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mglur3 with glutamate
分子名称: GLUTAMIC ACID, IODIDE ION, Metabotropic glutamate receptor 3
著者Monn, J.A, Clawson, D.K.
登録日2015-07-17
公開日2015-09-09
最終更新日2023-02-15
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
1XT8
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BU of 1xt8 by Molmil
Crystal Structure of Cysteine-Binding Protein from Campylobacter jejuni at 2.0 A Resolution
分子名称: CYSTEINE, GLYCEROL, putative amino-acid transporter periplasmic solute-binding protein
著者Muller, A, Thomas, G.H, Horler, R, Brannigan, J.A, Blagova, E, Levdikov, V.M, Fogg, M.J, Wilson, K.S, Wilkinson, A.J, Structural Proteomics in Europe (SPINE)
登録日2004-10-21
公開日2005-08-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An ATP-binding cassette-type cysteine transporter in Campylobacter jejuni inferred from the structure of an extracytoplasmic solute receptor protein.
Mol.Microbiol., 57, 2005
1XVK
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BU of 1xvk by Molmil
X-ray structure of an Echinomycin-(GCGTACGC)2 complex
分子名称: 2-CARBOXYQUINOXALINE, 5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3', ECHINOMYCIN, ...
著者Cuesta-Seijo, J.A, Sheldrick, G.M.
登録日2004-10-28
公開日2005-04-12
最終更新日2020-09-09
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structures of Complexes between Echinomycin and Duplex DNA.
Acta Crystallogr.,Sect.D, 61, 2005
1XXP
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Yersinia YopH (residues 163-468) C403S binds phosphotyrosyl peptide at two sites
分子名称: Hexapeptide ASP-ALA-ASP-GLU-PTR-CLE, Protein-tyrosine phosphatase yopH
著者Ivanov, M.I, Stuckey, J.A, Schubert, H.L, Saper, M.A, Bliska, J.B.
登録日2004-11-07
公開日2005-03-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Two substrate-targeting sites in the Yersinia protein tyrosine phosphatase co-operate to promote bacterial virulence
Mol.Microbiol., 55, 2005
1XFB
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BU of 1xfb by Molmil
Human Brain Fructose 1,6-(bis)phosphate Aldolase (C isozyme)
分子名称: Aldolase C
著者Arakaki, T.L, Pezza, J.A, Cronin, M.A, Hopkins, C.E, Zimmer, D.B, Tolan, D.R, Allen, K.N.
登録日2004-09-14
公開日2005-02-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of human brain fructose 1,6-(bis)phosphate aldolase: linking isozyme structure with function
Protein Sci., 13, 2004
5CFO
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BU of 5cfo by Molmil
Crystal structure of anemone STING (Nematostella vectensis) in apo 'rotated' open conformation
分子名称: Stimulator of Interferon Genes
著者Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E.
登録日2015-07-08
公開日2015-08-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling.
Mol.Cell, 59, 2015
5CFL
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Crystal structure of anemone STING (Nematostella vectensis) in complex with 3', 3' c-di-GMP, c[G(3', 5')pG(3', 5')p]
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CITRATE ANION, Stimulator of Interferon Genes
著者Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E.
登録日2015-07-08
公開日2015-08-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.836 Å)
主引用文献Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling.
Mol.Cell, 59, 2015
5CH7
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BU of 5ch7 by Molmil
Crystal structure of the perchlorate reductase PcrAB - Phe164 gate switch intermediate - from Azospira suillum PS
分子名称: 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ACETATE ION, ...
著者Tsai, C.-L, Tainer, J.A.
登録日2015-07-10
公開日2016-03-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues.
J.Biol.Chem., 291, 2016
5CM6
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CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM PSEUDOALTEROMONAS ATLANTICA T6c(Patl_2292, TARGET EFI-510180) WITH BOUND SODIUM AND PYRUVATE
分子名称: PYRUVIC ACID, SODIUM ION, TRAP dicarboxylate transporter-DctP subunit
著者Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2015-07-16
公開日2015-07-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM PSEUDOALTEROMONAS ATLANTICA T6c(Patl_2292, TARGET EFI-510180) WITH BOUND SODIUM AND PYRUVATE
To be published
5CNJ
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mGlur2 with glutamate analog
分子名称: (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2
著者Monn, J.A, Clawson, D.K.
登録日2015-07-17
公開日2015-09-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
5CFR
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Crystal structure of anemone STING (Nematostella vectensis) in apo 'unrotated' closed conformation
分子名称: CALCIUM ION, Stimulator of Interferon Genes
著者Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E.
登録日2015-07-08
公開日2015-08-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling.
Mol.Cell, 59, 2015
5CGD
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Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile - (HTL14242)
分子名称: 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, OLEIC ACID
著者Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M.
登録日2015-07-09
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile).
J.Med.Chem., 58, 2015

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