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3SS2
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Neutron structure of perdeuterated rubredoxin using 48 hours 3rd pass data
分子名称: FE (III) ION, Rubredoxin
著者Munshi, P, Chung, C.-L, Blakeley, M.P, Weiss, K.L, Myles, D.A.A, Meilleur, F.
登録日2011-07-07
公開日2011-12-28
最終更新日2023-09-13
実験手法NEUTRON DIFFRACTION (1.75 Å)
主引用文献Rapid visualization of hydrogen positions in protein neutron crystallographic structures.
Acta Crystallogr.,Sect.D, 68, 2012
1XJX
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BU of 1xjx by Molmil
The crystal structures of the DNA binding sites of the RUNX1 transcription factor
分子名称: 5'-D(*TP*CP*TP*GP*CP*GP*GP*TP*C)-3', 5'-D(*TP*GP*AP*CP*CP*GP*CP*AP*G)-3'
著者Kitayner, M, Rozenberg, H, Rabinovich, D, Shakked, Z.
登録日2004-09-26
公開日2005-03-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of the DNA-binding site of Runt-domain transcription regulators.
Acta Crystallogr.,Sect.D, 61, 2005
3TAO
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BU of 3tao by Molmil
Structure of Mycobacterium tuberculosis triosephosphate isomerase bound to phosphoglycolohydroxamate
分子名称: PHOSPHOGLYCOLOHYDROXAMIC ACID, Triosephosphate isomerase
著者Connor, S.E, Capodagli, G.C, Deaton, M.K, Pegan, S.D.
登録日2011-08-04
公開日2011-11-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural and functional characterization of Mycobacterium tuberculosis triosephosphate isomerase.
Acta Crystallogr.,Sect.D, 67, 2011
2PS1
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BU of 2ps1 by Molmil
S. cerevisiae orotate phosphoribosyltransferase complexed with orotic acid and PRPP
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, OROTIC ACID, ...
著者Gonzalez-Segura, L, Hurley, T.D, McClard, R.W.
登録日2007-05-04
公開日2008-01-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Ternary complex formation and induced asymmetry in orotate phosphoribosyltransferase.
Biochemistry, 46, 2007
2Q71
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Uroporphyrinogen Decarboxylase G168R single mutant enzyme in complex with coproporphyrinogen-III
分子名称: COPROPORPHYRINOGEN III, Uroporphyrinogen decarboxylase
著者Phillips, J.D, Whitby, F.G, Stadtmueller, B.M, Edwards, C.Q, Hill, C.P, Kushner, J.P.
登録日2007-06-05
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Two Novel Uropophyrinogen Decarboxylase (URO-D) Mutations Causing Hepatoerythropoietic Porphyria (HEP)
Transl.Res., 149, 2007
3FVE
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BU of 3fve by Molmil
Crystal structure of diaminopimelate epimerase Mycobacterium tuberculosis DapF
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Diaminopimelate epimerase, GLYCEROL
著者Usha, V, Dover, L.G, Roper, D.I, Futterer, K, Besra, G.S.
登録日2009-01-15
公開日2009-01-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the diaminopimelate epimerase DapF from Mycobacterium tuberculosis
Acta Crystallogr.,Sect.D, 65, 2009
3AUQ
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Crystal structure of the human vitamin D receptor ligand binding domain complexed with Yne-diene type analog of active 14-epi-2alpha-methyl-19-norvitamin D3
分子名称: (1R,2S,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethynyl]-2-methyl-cyclohex-4-ene-1,3-diol, Vitamin D3 receptor
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2011-02-15
公開日2011-09-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Development of 14-epi-19-nortachysterol and its unprecedented binding configuration for the human vitamin D receptor
J.Am.Chem.Soc., 133, 2011
3AUR
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Crystal structure of the human vitamin D receptor ligand binding domain complexed with Yne-diene type analog of active 14-epi-2beta-methyl-19-norvitamin D3
分子名称: (1R,2S,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethynyl]-2-methyl-cyclohex-4-ene-1,3-diol, Vitamin D3 receptor
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2011-02-15
公開日2011-09-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Development of 14-epi-19-nortachysterol and its unprecedented binding configuration for the human vitamin D receptor
J.Am.Chem.Soc., 133, 2011
2CNB
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BU of 2cnb by Molmil
Trypanosoma brucei UDP-galactose-4-epimerase in ternary complex with NAD and the substrate analogue UDP-4-deoxy-4-fluoro-alpha-D-galactose
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-GALACTOSE-4-EPIMERASE, URIDINE-5'-DIPHOSPHATE-4-DEOXY-4-FLUORO-ALPHA-D-GALACTOSE
著者Alphey, M.S, Ferguson, M.A.J, Hunter, W.N.
登録日2006-05-18
公開日2006-06-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Trypanosoma Brucei Udp-Galactose-4-Epimerase in Ternary Complex with Nad+ and the Substrate Analogue Udp-4-Deoxy-4-Fluoro-Alpha-D-Galactose
Acta Crystallogr.,Sect.F, 62, 2006
3RYG
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128 hours neutron structure of perdeuterated rubredoxin
分子名称: FE (III) ION, Rubredoxin
著者Munshi, P, Chung, C.-L, Weiss, K.L, Blakeley, M.P, Myles, D.A.A, Meilleur, F.
登録日2011-05-11
公開日2011-12-28
最終更新日2023-09-13
実験手法NEUTRON DIFFRACTION (1.75 Å)
主引用文献Rapid visualization of hydrogen positions in protein neutron crystallographic structures.
Acta Crystallogr.,Sect.D, 68, 2012
2CIQ
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BU of 2ciq by Molmil
Structure-based functional annotation: Yeast ymr099c codes for a D- hexose-6-phosphate mutarotase.
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, HEXOSE-6-PHOSPHATE MUTAROTASE, ...
著者Graille, M, Baltaze, J.-P, Leulliot, N, Liger, D, Quevillon-Cheruel, S, van Tilbeurgh, H.
登録日2006-03-24
公開日2006-07-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-based functional annotation: yeast ymr099c codes for a D-hexose-6-phosphate mutarotase.
J. Biol. Chem., 281, 2006
2Q5R
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Structure of apo Staphylococcus aureus D-tagatose-6-phosphate kinase
分子名称: Tagatose-6-phosphate kinase
著者McGrath, T.E, Soloveychik, M, Romanov, V, Thambipillai, D, Dharamsi, A, Virag, C, Domagala, M, Pai, E.F, Edwards, A.M, Battaile, K, Chirgadze, N.Y.
登録日2007-06-01
公開日2007-06-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of apo Staphylococcus aureus D-tagatose-6-phosphate kinase
TO BE PUBLISHED
1VS0
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BU of 1vs0 by Molmil
Crystal Structure of the Ligase Domain from M. tuberculosis LigD at 2.4A
分子名称: CHLORIDE ION, MAGNESIUM ION, Putative DNA ligase-like protein Rv0938/MT0965, ...
著者Akey, D, Martins, A, Aniukwu, J, Glickman, M.S, Shuman, S, Berger, J.M, TB Structural Genomics Consortium (TBSGC)
登録日2006-01-27
公開日2006-02-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure and Nonhomologous End-joining Function of the Ligase Component of Mycobacterium DNA Ligase D.
J.Biol.Chem., 281, 2006
2I5Y
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Crystal structure of CD4M47, a scorpion-toxin mimic of CD4, in complex with HIV-1 YU2 GP120 envelope glycoprotein and anti-HIV-1 antibody 17B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 17B Heavy chain, Antibody 17B Light chain, ...
著者Huang, C.-C, Kwong, P.D.
登録日2006-08-26
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Combinatorial optimization of a CD4-mimetic miniprotein and cocrystal structures with HIV-1 gp120 envelope glycoprotein.
J.Mol.Biol., 382, 2008
4F3S
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BU of 4f3s by Molmil
Crystal structure of periplasmic D-alanine ABC transporter from Salmonella enterica
分子名称: D-ALANINE, GLYCINE, PHOSPHATE ION, ...
著者Agarwal, R, Chamala, S, Evans, B, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Siedel, R, Villigas, G, Zencheck, W, Foti, R, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-05-09
公開日2012-05-23
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structure of periplasmic D-alanine ABC transporter from Salmonella enterica
To be Published
2I60
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Crystal structure of [Phe23]M47, a scorpion-toxin mimic of CD4, in complex with HIV-1 YU2 GP120 envelope glycoprotein and anti-HIV-1 antibody 17B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B HEAVY CHAIN, ANTIBODY 17B LIGHT CHAIN, ...
著者Huang, C.-C, Kwong, P.D.
登録日2006-08-26
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Combinatorial optimization of a CD4-mimetic miniprotein and cocrystal structures with HIV-1 gp120 envelope glycoprotein.
J.Mol.Biol., 382, 2008
2EVS
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BU of 2evs by Molmil
Crystal structure of human Glycolipid Transfer Protein complexed with n-hexyl-beta-D-glucoside
分子名称: DECANE, Glycolipid transfer protein, HEXANE, ...
著者Malinina, L, Malakhova, M.L, Kanack, A.T, Abagyan, R, Brown, R.E, Patel, D.J.
登録日2005-10-31
公開日2006-11-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The liganding of glycolipid transfer protein is controlled by glycolipid acyl structure.
Plos Biol., 4, 2006
2Q6Z
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Uroporphyrinogen Decarboxylase G168R single mutant apo-enzyme
分子名称: Uroporphyrinogen decarboxylase
著者Phillips, J.D, Whitby, F.G, Stadtmueller, B.M, Edwards, C.Q, Hill, C.P, Kushner, J.P.
登録日2007-06-05
公開日2007-06-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Two novel uroporphyrinogen decarboxylase (URO-D) mutations causing hepatoerythropoietic porphyria (HEP).
Transl.Res., 149, 2007
3S2V
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Crystal Structure of the Ligand Binding Domain of GluK1 in Complex with an Antagonist (S)-1-(2'-Amino-2'-carboxyethyl)-3-[(2-carboxythien-3-yl)methyl]thieno[3,4-d]pyrimidin-2,4-dione at 2.5 A Resolution
分子名称: (S)-1-(2'-AMINO-2'-CARBOXYETHYL)-3-[(2-CARBOXYTHIEN-3-YL)METHYL]THIENO[3,4-D]PYRIMIDIN-2,4-DIONE, CHLORIDE ION, GLYCEROL, ...
著者Venskutonyte, R, Frydenvang, K, Kastrup, J.S.
登録日2011-05-17
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Selective kainate receptor (GluK1) ligands structurally based upon 1H-cyclopentapyrimidin-2,4(1H,3H)-dione: synthesis, molecular modeling, and pharmacological and biostructural characterization.
J.Med.Chem., 54, 2011
2O4F
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Structure of a parallel-stranded guanine tetraplex crystallised with monovalent ions
分子名称: 5'-D(*TP*GP*GP*GP*GP*T)-3', LITHIUM ION, SODIUM ION
著者Creze, C, Rinaldi, B, Haser, R, Bouvet, P, Gouet, P.
登録日2006-12-04
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of a d(TGGGGT) quadruplex crystallized in the presence of Li+ ions.
Acta Crystallogr.,Sect.D, 63, 2007
2FEQ
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orally active thrombin inhibitors
分子名称: Decapeptide Hirudin Analogue, N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({4-[(E)-AMINO(IMINO)METHYL]-1,3-THIAZOL-2-YL}METHYL)-L-PROLINAMIDE, Thrombin heavy chain, ...
著者Mack, H, Baucke, D, Hornberger, W, Lange, U.E.W, Hoeffken, H.W.
登録日2005-12-16
公開日2006-08-08
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety
Bioorg.Med.Chem.Lett., 16, 2006
1DFG
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X-RAY STRUCTURE OF ESCHERICHIA COLI ENOYL REDUCTASE WITH BOUND NAD AND BENZO-DIAZABORINE
分子名称: 2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL, ENOYL ACYL CARRIER PROTEIN REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Baldock, C, Rafferty, J.B, Rice, D.W.
登録日1997-01-16
公開日1998-01-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A mechanism of drug action revealed by structural studies of enoyl reductase.
Science, 274, 1996
1U64
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The Solution Structure of d(G3T4G4)2
分子名称: 5'-D(*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3'
著者Sket, P, Crnugelj, M, Plavec, J.
登録日2004-07-29
公開日2004-10-26
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献d(G3T4G4) forms unusual dimeric G-quadruplex structure with the same general fold in the presence of K+, Na+ or NH4+ ions.
Bioorg.Med.Chem., 12, 2004
3RZ6
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BU of 3rz6 by Molmil
Neutron structure of perdeuterated rubredoxin using 40 hours 1st pass data
分子名称: FE (III) ION, Rubredoxin
著者Munshi, P, Chung, C.-L, Weiss, K.L, Blakeley, M.P, Myles, D.A.A, Meilleur, F.
登録日2011-05-11
公開日2011-12-28
最終更新日2023-09-13
実験手法NEUTRON DIFFRACTION (1.75 Å)
主引用文献Rapid visualization of hydrogen positions in protein neutron crystallographic structures.
Acta Crystallogr.,Sect.D, 68, 2012
1S23
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Crystal Structure Analysis of the B-DNA Decamer CGCAATTGCG
分子名称: 5'-D(*CP*GP*CP*AP*AP*TP*TP*GP*CP*G)-3', COBALT (II) ION
著者Valls, N, Wright, G, Steiner, R.A, Murshudov, G.N, Subirana, J.A.
登録日2004-01-08
公開日2004-04-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献DNA variability in five crystal structures of d(CGCAATTGCG).
Acta Crystallogr.,Sect.D, 60, 2004

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