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4G3E
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BU of 4g3e by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to a 6-alkynylindoline (cmp1)
分子名称: (2R)-4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydro-1H-indol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol, NF-kappa-beta-inducing kinase, SULFATE ION
著者Hymowitz, S.G, de Leon-Boenig, G.
登録日2012-07-13
公開日2012-08-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site.
Structure, 20, 2012
4G3F
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BU of 4g3f by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to a 2-(aminothiazoly)phenol (cmp2)
分子名称: 3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile, NF-kappa-beta-inducing kinase
著者Hymowitz, S.G, de Leon-Boenig, G.
登録日2012-07-13
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.642 Å)
主引用文献The crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site.
Structure, 20, 2012
3P80
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BU of 3p80 by Molmil
Pentaerythritol tetranitrate reductase co-crystal structure containing bound (E)-1-(3'-hydroxyphenyl)-2-nitroethene
分子名称: 3-[(E)-2-nitroethenyl]phenol, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
著者Toogood, H.S, Scrutton, N.S.
登録日2010-10-13
公開日2011-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A Site-Saturated Mutagenesis Study of Pentaerythritol Tetranitrate Reductase Reveals that Residues 181 and 184 Influence Ligand Binding, Stereochemistry and Reactivity.
Chembiochem, 12, 2011
3P82
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BU of 3p82 by Molmil
H184N mutant of pentaerythritol tetranitrate reductase containing bound acetate ion
分子名称: ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
著者Toogood, H.S, Scrutton, N.S.
登録日2010-10-13
公開日2011-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Site-Saturated Mutagenesis Study of Pentaerythritol Tetranitrate Reductase Reveals that Residues 181 and 184 Influence Ligand Binding, Stereochemistry and Reactivity.
Chembiochem, 12, 2011
3P7Y
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BU of 3p7y by Molmil
Pentaerythritol tetranitrate reductase co-crystal structure with bound (E)-1-(2'-hydroxyphenyl)-2-nitroethene
分子名称: 2-[(E)-2-nitroethenyl]phenol, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
著者Toogood, H.S, Scrutton, N.S.
登録日2010-10-13
公開日2011-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A Site-Saturated Mutagenesis Study of Pentaerythritol Tetranitrate Reductase Reveals that Residues 181 and 184 Influence Ligand Binding, Stereochemistry and Reactivity.
Chembiochem, 12, 2011
3P81
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BU of 3p81 by Molmil
Pentaerythritol tetranitrate reductase co-crystal structure containing a bound (E)-1-(4'-hydroxyphenyl)-2-nitroethene molecule
分子名称: 4-[(E)-2-nitroethenyl]phenol, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
著者Toogood, H.S, Scrutton, N.S.
登録日2010-10-13
公開日2011-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A Site-Saturated Mutagenesis Study of Pentaerythritol Tetranitrate Reductase Reveals that Residues 181 and 184 Influence Ligand Binding, Stereochemistry and Reactivity.
Chembiochem, 12, 2011
3P74
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BU of 3p74 by Molmil
H181N mutant of pentaerythritol tetranitrate reductase containing a C-terminal His8-tag
分子名称: FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
著者Toogood, H.S, Scrutton, N.S.
登録日2010-10-12
公開日2011-03-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A Site-Saturated Mutagenesis Study of Pentaerythritol Tetranitrate Reductase Reveals that Residues 181 and 184 Influence Ligand Binding, Stereochemistry and Reactivity.
Chembiochem, 12, 2011
2YWZ
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BU of 2ywz by Molmil
Structure of new antigen receptor variable domain from sharks
分子名称: new antigen receptor variable domain
著者Streltsov, V.A.
登録日2007-04-23
公開日2007-10-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Shark IgNAR antibody mimotopes target a murine immunoglobulin through extended CDR3 loop structures
Proteins, 71, 2007
2BRL
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BU of 2brl by Molmil
Crystal structure of Hepatitis C virus polymerase in complex with an allosteric inhibitor (compound 2)
分子名称: 3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-3-YL)METHYL]AMINO}-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Di Marco, S, Volpari, C, Carfi, A.
登録日2005-05-06
公開日2005-06-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Interdomain Communication in Hepatitis C Virus Polymerase Abolished by Small-Molecule Inhibitors Bound to a Novel Allosteric Site
J.Biol.Chem., 280, 2005
5C98
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BU of 5c98 by Molmil
1.45A resolution structure of SRPN18 from Anopheles gambiae
分子名称: AGAP007691-PB
著者Lovell, S, Battaile, K.P, Gulley, M, Zhang, X, Meekins, D.A, Gao, F.P, Michel, K.
登録日2015-06-26
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献1.45 angstrom resolution structure of SRPN18 from the malaria vector Anopheles gambiae.
Acta Crystallogr F Struct Biol Commun, 72, 2016
2BRK
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BU of 2brk by Molmil
Crystal structure of Hepatitis C virus polymerase in complex with an allosteric inhibitor (compound 1)
分子名称: 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Di Marco, S, Volpari, C, Carfi, A.
登録日2005-05-06
公開日2005-06-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Interdomain Communication in Hepatitis C Virus Polymerase Abolished by Small-Molecule Inhibitors Bound to a Novel Allosteric Site
J.Biol.Chem., 280, 2005
2Q8A
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BU of 2q8a by Molmil
Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody
分子名称: 1F9 heavy chain, 1F9 light chain, Apical membrane antigen 1
著者Gupta, A, Murphy, V.J, Anders, R.F, Batchelor, A.H.
登録日2007-06-10
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody.
PLoS Pathog., 3, 2007
3DUY
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BU of 3duy by Molmil
Crystal structure of human beta-secretase in complex with NVP-AFJ144
分子名称: (2R,4S,5S)-N-butyl-4-hydroxy-2,7-dimethyl-5-{[N-(4-methylpentanoyl)-L-methionyl]amino}octanamide, Beta-secretase 1
著者Rondeau, J.-M.
登録日2008-07-18
公開日2009-02-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure-based design and synthesis of macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
2Q8B
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BU of 2q8b by Molmil
Structure of the malaria antigen AMA1 in complex with a growth-inhibitory antibody
分子名称: 1F9 heavy chain, 1F9 light chain, Apical membrane antigen 1
著者Gupta, A, Murphy, V.J, Anders, R.F, Batchelor, A.H.
登録日2007-06-10
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the Malaria Antigen AMA1 in Complex with a Growth-Inhibitory Antibody
Plos Pathog., 3, 2007
1N8E
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BU of 1n8e by Molmil
Fragment Double-D from Human Fibrin
分子名称: Fibrin alpha/alpha-E chain, Fibrin beta chain, Fibrin gamma chain
著者Yang, Z, Pandi, L, Doolittle, R.F.
登録日2002-11-20
公開日2003-01-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献The Crystal Structure of Fragment Double-D from Cross-Linked Lamprey Fibrin Reveals Isopeptide Linkages across an Unexpected D-D Interface
Biochemistry, 41, 2002
1PSM
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BU of 1psm by Molmil
SOLUTION STRUCTURE OF A POLYPEPTIDE CONTAINING FOUR HEPTAD REPEATS FROM A MEROZOITE SURFACE ANTIGEN OF PLASMODIUM FALCIPARUM
分子名称: SPAM-H1
著者Mulhern, T.D, Norton, R.S.
登録日1994-12-01
公開日1995-02-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of a polypeptide containing four heptad repeat units from a merozoite surface antigen of Plasmodium falciparum.
Biochemistry, 34, 1995
1QU0
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BU of 1qu0 by Molmil
CRYSTAL STRUCTURE OF THE FIFTH LAMININ G-LIKE MODULE OF THE MOUSE LAMININ ALPHA2 CHAIN
分子名称: CALCIUM ION, LAMININ ALPHA2 CHAIN, SULFATE ION
著者Hohenester, E, Tisi, D, Talts, J.F, Timpl, R.
登録日1999-07-05
公開日1999-12-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The crystal structure of a laminin G-like module reveals the molecular basis of alpha-dystroglycan binding to laminins, perlecan, and agrin.
Mol.Cell, 4, 1999
1XGK
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BU of 1xgk by Molmil
CRYSTAL STRUCTURE OF N12G AND A18G MUTANT NMRA
分子名称: CHLORIDE ION, GLYCEROL, NITROGEN METABOLITE REPRESSION REGULATOR NMRA, ...
著者Lamb, H.K, Ren, J, Park, A, Johnson, C, Leslie, K, Cocklin, S, Thompson, P, Mee, C, Cooper, A, Stammers, D.K, Hawkins, A.R.
登録日2004-09-17
公開日2004-12-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Modulation of the ligand binding properties of the transcription repressor NmrA by GATA-containing DNA and site-directed mutagenesis
Protein Sci., 13, 2004
3HVO
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BU of 3hvo by Molmil
Structure of the genotype 2B HCV polymerase bound to a NNI
分子名称: 2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione, Genome polyprotein
著者Rydberg, E.H, Carfi, A.
登録日2009-06-16
公開日2009-08-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and Biological Evaluation of a Series of 1H-Benzo[de]isoquinoline-1,3(2H)-diones as Hepatitis C Virus NS5B Polymerase Inhibitors
To be Published
1LY7
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BU of 1ly7 by Molmil
The solution structure of the the c-terminal domain of frataxin, the protein responsible for friedreich ataxia
分子名称: frataxin
著者Musco, G, Stier, G, Kolmerer, B, Adinolfi, S, Martin, S, Frenkiel, T, Gibson, T, Pastore, A.
登録日2002-06-07
公開日2002-06-26
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Towards a structural understanding of Friedreich's ataxia: the solution structure of frataxin
Structure Fold.Des., 8, 2000
3EFR
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BU of 3efr by Molmil
Biotin protein ligase R40G mutant from Aquifex aeolicus in complex with biotin
分子名称: BIOTIN, Biotin [acetyl-CoA-carboxylase] ligase, SULFATE ION
著者Tron, C.M, McNae, I.W, Walkinshaw, M.D, Baxter, R.L, Campopiano, D.J.
登録日2008-09-10
公開日2009-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural and functional studies of the biotin protein ligase from Aquifex aeolicus reveal a critical role for a conserved residue in target specificity.
J.Mol.Biol., 387, 2009
3EFS
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BU of 3efs by Molmil
Biotin protein ligase from Aquifex aeolicus in complex with biotin and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, BIOTIN, Biotin [acetyl-CoA-carboxylase] ligase, ...
著者Tron, C.M, McNae, I.W, Walkinshaw, M.D, Baxter, R.L, Campopiano, D.J.
登録日2008-09-10
公開日2009-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and functional studies of the biotin protein ligase from Aquifex aeolicus reveal a critical role for a conserved residue in target specificity.
J.Mol.Biol., 387, 2009
3OCD
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BU of 3ocd by Molmil
Diheme SoxAX - C236M mutant
分子名称: HEME C, SoxA, SoxX
著者Maher, M.J.
登録日2010-08-09
公開日2011-05-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Diheme SoxAX proteins - insights into structure and function of the active site
To be Published
3OA8
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BU of 3oa8 by Molmil
Diheme SoxAX
分子名称: HEME C, SULFATE ION, SoxA, ...
著者Maher, M.J.
登録日2010-08-04
公開日2011-05-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Diheme SoxAX proteins - insights into structure and function of the active site
To be Published
3FJP
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BU of 3fjp by Molmil
Apo structure of Biotin protein ligase from Aquifex aeolicus
分子名称: Biotin [acetyl-CoA-carboxylase] ligase, SULFATE ION
著者McNae, I.W, Tron, C.M, Baxter, R.L, Walkinshaw, M.D, Campopiano, D.J.
登録日2008-12-15
公開日2009-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and functional studies of the biotin protein ligase from Aquifex aeolicus reveal a critical role for a conserved residue in target specificity.
J.Mol.Biol., 387, 2009

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