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2K07
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BU of 2k07 by Molmil
Solution NMR structure of human E2-like ubiquitin-fold modifier conjugating enzyme 1 (UFC1). Northeast Structural Genomics Consortium target HR41
分子名称: Ufm1-conjugating enzyme 1
著者Liu, G, Eletsky, A, Atreya, H.S, Aramini, J.M, Xiao, R, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2008-01-25
公開日2008-02-19
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR and X-RAY structures of human E2-like ubiquitin-fold modifier conjugating enzyme 1 (UFC1) reveal structural and functional conservation in the metazoan UFM1-UBA5-UFC1 ubiquination pathway.
J.STRUCT.FUNCT.GENOM., 10, 2009
1RXC
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BU of 1rxc by Molmil
E. COLI uridine phosphorylase: 5-fluorouracil ribose-1-phosphate complex
分子名称: 1-O-phosphono-alpha-D-ribofuranose, 5-FLUOROURACIL, 5-FLUOROURIDINE, ...
著者Caradoc-Davies, T.T, Cutfield, S.M, Lamont, I.L, Cutfield, J.F.
登録日2003-12-18
公開日2004-04-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structures of escherichia coli uridine phosphorylase in two native and three complexed forms reveal basis of substrate specificity, induced conformational changes and influence of potassium
J.Mol.Biol., 337, 2004
3SF8
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BU of 3sf8 by Molmil
Structural insights into thiol stabilization of DJ-1
分子名称: Protein DJ-1
著者Premkumar, L, Dobaczewska, M.K, Riedl, S.J.
登録日2011-06-13
公開日2011-10-05
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Identification of an artificial peptide motif that binds and stabilizes reduced human DJ-1.
J.Struct.Biol., 176, 2011
2K35
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BU of 2k35 by Molmil
Hydramacin-1: Structure and antibacterial activity of a peptide from the basal metazoan Hydra
分子名称: hydramacin-1
著者Jung, S, Dingley, A.J, Stanisak, M, Gelhaus, C, Bosch, T, Podschun, R, Leippe, M, Gr tzinger, J.
登録日2008-04-22
公開日2008-11-18
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献Hydramacin-1, structure and antibacterial activity of a protein from the Basal metazoan hydra.
J.Biol.Chem., 284, 2009
2PWO
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BU of 2pwo by Molmil
Crystal Structure of HIV-1 CA146 A92E Psuedo Cell
分子名称: CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol)
著者Kelly, B.N.
登録日2007-05-11
公開日2007-09-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of the Antiviral Assembly Inhibitor CAP-1 Complex with the HIV-1 CA Protein.
J.Mol.Biol., 373, 2007
1ISJ
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BU of 1isj by Molmil
Crystal Structure Analysis of BST-1/CD157 complexed with NMN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, bone marrow stromal cell antigen 1
著者Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K.
登録日2001-12-05
公開日2002-03-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic studies on human BST-1/CD157 with ADP-ribosyl cyclase and NAD glycohydrolase activities.
J.Mol.Biol., 316, 2002
2GHL
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BU of 2ghl by Molmil
Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor PG-874743
分子名称: 3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA, Mitogen-activated protein kinase 14
著者Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Brugel, T.A.
登録日2006-03-27
公開日2006-04-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1.
Bioorg.Med.Chem.Lett., 16, 2006
4HPO
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BU of 4hpo by Molmil
Crystal structure of RV144-elicited antibody CH58 in complex with V2 peptide
分子名称: CH58 Fab heavy chain, CH58 Fab light chain, Envelope glycoprotein gp160, ...
著者McLellan, J.S, Gorman, J, Haynes, B.F, Kwong, P.D.
登録日2012-10-24
公開日2013-02-06
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.694 Å)
主引用文献Vaccine Induction of Antibodies against a Structurally Heterogeneous Site of Immune Pressure within HIV-1 Envelope Protein Variable Regions 1 and 2.
Immunity, 38, 2013
1Z6T
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BU of 1z6t by Molmil
Structure of the apoptotic protease-activating factor 1 bound to ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Apoptotic protease activating factor 1
著者Riedl, S.J, Li, W, Chao, Y, Schwarzenbacher, R, Shi, Y.
登録日2005-03-23
公開日2005-04-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure of the apoptotic protease-activating factor 1 bound to ADP
Nature, 434, 2005
1FS4
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BU of 1fs4 by Molmil
Structures of glycogen phosphorylase-inhibitor complexes and the implications for structure-based drug design
分子名称: 1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE, GLYCOGEN PHOSPHORYLASE, PYRIDOXAL-5'-PHOSPHATE
著者Watson, K.A, Tsitsanou, K.E, Gregoriou, M, Zographos, S.E, Skamnaki, V.T, Oikonomakos, N.G, Fleet, G.W, Johnson, L.N.
登録日2000-09-08
公開日2000-10-04
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Kinetic and crystallographic studies of glucopyranose spirohydantoin and glucopyranosylamine analogs inhibitors of glycogen phosphorylase.
Proteins, 61, 2005
1K7A
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BU of 1k7a by Molmil
Ets-1(331-440)+GGAG duplex
分子名称: C-ets-1 Protein, DNA (5'-D(*CP*AP*CP*AP*TP*CP*TP*CP*CP*GP*GP*CP*AP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*TP*GP*CP*CP*GP*GP*AP*GP*AP*TP*GP*T)-3')
著者Garvie, C.W, Hagman, J, Wolberger, C.
登録日2001-10-18
公開日2002-01-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural studies of Ets-1/Pax5 complex formation on DNA.
Mol.Cell, 8, 2001
1SC4
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BU of 1sc4 by Molmil
Crystal structure of the human caspase-1 C285A mutant after removal of malonate
分子名称: Interleukin-1 beta convertase
著者Romanowski, M.J, Scheer, J.M, O'Brien, T, McDowell, R.S.
登録日2004-02-11
公開日2004-08-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of a ligand-free and malonate-bound human caspase-1: implications for the mechanism of substrate binding.
Structure, 12, 2004
3SRD
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BU of 3srd by Molmil
Human M2 pyruvate kinase in complex with fructose 1-6 bisphosphate and Oxalate.
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ...
著者Morgan, H.P, O'Reilly, F, Palmer, R, McNae, I.W, Nowicki, M.W, Wear, M.A, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2011-07-07
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Allosetric regulation of M2 pyruvate kinase.
To be Published
1K79
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BU of 1k79 by Molmil
Ets-1(331-440)+GGAA duplex
分子名称: C-ets-1 protein, DNA (5'-D(*CP*AP*CP*AP*TP*TP*TP*CP*CP*GP*GP*CP*AP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*TP*GP*CP*CP*GP*GP*AP*AP*AP*TP*GP*T)-3')
著者Garvie, C.W, Hagman, J, Wolberger, C.
登録日2001-10-18
公開日2002-01-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies of Ets-1/Pax5 complex formation on DNA.
Mol.Cell, 8, 2001
2QZC
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BU of 2qzc by Molmil
Crystal structure of a putative tena-like thiaminase (tena-1, sso2206) from sulfolobus solfataricus p2 at 1.50 A resolution
分子名称: GLYCEROL, IMIDAZOLE, Transcriptional activator TenA-1
著者Joint Center for Structural Genomics (JCSG)
登録日2007-08-16
公開日2007-09-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of putative TenA-like thiaminase II (NP_343586.1) from Sulfolobus solfataricus at 1.50 A resolution
To be published
2R3X
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BU of 2r3x by Molmil
Crystal structure of an R15L hGSTA1-1 mutant complexed with S-hexyl-glutathione
分子名称: Glutathione S-transferase A1, S-HEXYLGLUTATHIONE
著者Burke, J.P.W.G, Kinsley, N, Sayed, M, Sewell, T, Dirr, H.W.
登録日2007-08-30
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Arginine 15 stabilizes an S(N)Ar reaction transition state and the binding of anionic ligands at the active site of human glutathione transferase A1-1.
Biophys.Chem., 146, 2010
2GCE
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BU of 2gce by Molmil
The 1,1-proton transfer reaction mechanism by alpha-methylacyl-CoA racemase is catalyzed by an aspartate/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety
分子名称: (R)-IBUPROFENOYL-COENZYME A, (S)-IBUPROFENOYL-COENZYME A, probable alpha-methylacyl-CoA racemase MCR
著者Bhaumik, P, Wierenga, R.K.
登録日2006-03-14
公開日2007-02-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Catalysis of the 1,1-Proton Transfer by alpha-Methyl-acyl-CoA Racemase Is Coupled to a Movement of the Fatty Acyl Moiety Over a Hydrophobic, Methionine-rich Surface
J.Mol.Biol., 367, 2007
2K4T
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BU of 2k4t by Molmil
Solution structure of human VDAC-1 in LDAO micelles
分子名称: Voltage-dependent anion-selective channel protein 1
著者Hiller, S, Garces, R.G, Malia, T.J, Orekhov, V.Y, Colombini, M, Wagner, G.
登録日2008-06-17
公開日2008-09-09
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the integral human membrane protein VDAC-1 in detergent micelles.
Science, 321, 2008
2GHM
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BU of 2ghm by Molmil
Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-895449
分子名称: 3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA, Mitogen-activated protein kinase 14
著者Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Maier, J.A.
登録日2006-03-27
公開日2006-05-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1.
Bioorg.Med.Chem.Lett., 16, 2006
2GPA
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BU of 2gpa by Molmil
ALLOSTERIC INHIBITION OF GLYCOGEN PHOSPHORYLASE A BY A POTENTIAL ANTIDIABETIC DRUG
分子名称: GLYCEROL, PROTEIN (GLYCOGEN PHOSPHORYLASE), PYRIDOXAL-5'-PHOSPHATE, ...
著者Oikonomakos, N.G, Tsitsanou, K.E, Zographos, S.E, Skamnaki, V.T.
登録日1999-02-18
公開日1999-02-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Allosteric inhibition of glycogen phosphorylase a by the potential antidiabetic drug 3-isopropyl 4-(2-chlorophenyl)-1,4-dihydro-1-ethyl-2-methyl-pyridine-3,5,6-tricarbo xylate.
Protein Sci., 8, 1999
2KHT
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BU of 2kht by Molmil
NMR Structure of human alpha defensin HNP-1
分子名称: Neutrophil defensin 1
著者Zhang, Y, Li, S, Doherty, T.F, Lubkowski, J, Lu, W, Li, J, Barinka, C, Hong, M.
登録日2009-04-11
公開日2010-02-09
最終更新日2024-05-01
実験手法SOLID-STATE NMR
主引用文献Resonance assignment and three-dimensional structure determination of a human alpha-defensin, HNP-1, by solid-state NMR.
J.Mol.Biol., 397, 2010
2LDL
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BU of 2ldl by Molmil
Solution NMR Structure of the HIV-1 Exon Splicing Silencer 3
分子名称: RNA (27-MER)
著者Mishler, C, Levengood, J.D, Johnson, C.A, Rajan, P, Znosko, B.M.
登録日2011-05-27
公開日2011-12-28
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution Structure of the HIV-1 Exon Splicing Silencer 3.
J.Mol.Biol., 415, 2012
2IU3
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BU of 2iu3 by Molmil
Crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase
分子名称: 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION
著者Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A.
登録日2006-05-27
公開日2007-02-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-based design, synthesis, evaluation, and crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase.
J. Biol. Chem., 282, 2007
2IU0
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crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase
分子名称: 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, POTASSIUM ION
著者Xu, L, Chong, Y, Hwang, I, Onofrio, A.D, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A.
登録日2006-05-26
公開日2007-02-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structure-Based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase
J.Biol.Chem., 282, 2007
1TL1
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BU of 1tl1 by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW451211
分子名称: 6-CHLORO-4-(CYCLOHEXYLSULFINYL)-3-PROPYLQUINOLIN-2(1H)-ONE, PHOSPHATE ION, Pol polyprotein, ...
著者Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K.
登録日2004-06-09
公開日2004-12-07
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004

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