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3E4A
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BU of 3e4a by Molmil
Human IDE-inhibitor complex at 2.6 angstrom resolution
分子名称: 1,4-DIETHYLENE DIOXIDE, ACETIC ACID, HYDROXAMATE PEPTIDE II1, ...
著者Malito, E, Leissring, M.A, Choi, S, Cuny, G.D, Tang, W.J.
登録日2008-08-11
公開日2009-05-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Designed inhibitors of insulin-degrading enzyme regulate the catabolism and activity of insulin.
Plos One, 5, 2010
2ICT
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BU of 2ict by Molmil
Crystal structure of the bacterial antitoxin HigA from Escherichia coli at pH 8.5. Northeast Structural Genomics TARGET ER390.
分子名称: antitoxin higa
著者Arbing, M.A, Abashidze, M, Hurley, J.M, Zhao, L, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Inouye, M, Woychik, N.A, Montelione, G.T, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2006-09-13
公開日2006-09-26
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal Structures of Phd-Doc, HigA, and YeeU Establish Multiple Evolutionary Links between Microbial Growth-Regulating Toxin-Antitoxin Systems.
Structure, 18, 2010
2ID1
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BU of 2id1 by Molmil
X-Ray Crystal Structure of Protein CV0518 from Chromobacterium violaceum, Northeast Structural Genomics Consortium Target CvR5.
分子名称: Hypothetical protein, IODIDE ION
著者Forouhar, F, Zhou, W, Seetharaman, J, Ho, C.K, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2006-09-13
公開日2006-09-26
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献

2IFA
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BU of 2ifa by Molmil
Crystal Structure of the PUTATIVE NITROREDUCTASE (SMU.260) IN COMPLEX WITH FMN FROM STREPTOCOCCUS MUTANS, NORTHEAST STRUCTURAL GENOMICS TARGET SMR5.
分子名称: FLAVIN MONONUCLEOTIDE, Hypothetical protein SMU.260
著者Forouhar, F, Chen, Y, Xiao, R, Ma, L.C, Byler, T, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2006-09-20
公開日2006-10-03
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献

2IF2
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BU of 2if2 by Molmil
Crystal Structure of the Putative Dephospho-CoA Kinase from Aquifex aeolicus, Northeast Structural Genomics Target QR72.
分子名称: 1,2-ETHANEDIOL, Dephospho-CoA kinase, SULFATE ION
著者Forouhar, F, Hussain, M, Seetharaman, J, Hussain, A, Wu, M, Fang, Y, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Rost, B, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-09-19
公開日2006-10-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献

3P56
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BU of 3p56 by Molmil
The structure of the human RNase H2 complex defines key interaction interfaces relevant to enzyme function and human disease
分子名称: Ribonuclease H2 subunit A, Ribonuclease H2 subunit B, Ribonuclease H2 subunit C
著者Bubeck, D, Graham, S.C, Jones, E.Y.
登録日2010-10-08
公開日2010-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (4.06 Å)
主引用文献The Structure of the Human RNase H2 Complex Defines Key Interaction Interfaces Relevant to Enzyme Function and Human Disease.
J.Biol.Chem., 286, 2011
3P5J
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BU of 3p5j by Molmil
The structure of the human RNase H2 complex defines key interaction interfaces relevant to enzyme function and human disease
分子名称: Ribonuclease H2 subunit A, Ribonuclease H2 subunit B, Ribonuclease H2 subunit C
著者Bubeck, D, Graham, S.C, Jones, E.Y.
登録日2010-10-08
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Structure of the Human RNase H2 Complex Defines Key Interaction Interfaces Relevant to Enzyme Function and Human Disease.
J.Biol.Chem., 286, 2011
3PSX
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BU of 3psx by Molmil
Crystal structure of the KT2 mutant of cytochrome P450 BM3
分子名称: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Yang, W, Whitehouse, C.J.C, Yorke, J.A, Bell, S.G, Zhou, W, Bartlam, M, Wong, L.L, Rao, Z.
登録日2010-12-02
公開日2011-12-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure, electronic properties and catalytic behaviour of an activity-enhancing CYP102A1 (P450(BM3)) variant
Dalton Trans, 40, 2011
3Q03
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BU of 3q03 by Molmil
Crystal structure of plasminogen activator inhibitor-1 in a metastable active conformation.
分子名称: CHLORIDE ION, Plasminogen activator inhibitor 1, ZINC ION
著者Jensen, J.K, Morth, J.P.
登録日2010-12-15
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6401 Å)
主引用文献Crystal structure of plasminogen activator inhibitor-1 in an active conformation with normal thermodynamic stability.
J.Biol.Chem., 286, 2011
3POV
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BU of 3pov by Molmil
Crystal structure of a SOX-DNA complex
分子名称: DNA (5'-D(*GP*GP*GP*AP*TP*CP*CP*TP*CP*CP*CP*AP*GP*TP*CP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*GP*AP*CP*TP*AP*GP*GP*AP*GP*GP*AP*TP*CP*CP*C)-3'), FORMIC ACID, ...
著者Bagneris, C, Barrett, T.E.
登録日2010-11-23
公開日2011-09-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a KSHV-SOX-DNA complex: insights into the molecular mechanisms underlying DNase activity and host shutoff
Nucleic Acids Res., 39, 2011
3Q02
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BU of 3q02 by Molmil
Crystal structure of plasminogen activator inhibitor-1 in a metastable active conformation.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Plasminogen activator inhibitor 1, ...
著者Jensen, J.K, Morth, J.P.
登録日2010-12-15
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of plasminogen activator inhibitor-1 in an active conformation with normal thermodynamic stability.
J.Biol.Chem., 286, 2011
1AKT
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BU of 1akt by Molmil
G61N OXIDIZED FLAVODOXIN MUTANT
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Mccarthy, A, Walsh, M, Higgins, T.
登録日1997-05-27
公開日1998-05-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Modulation of the redox potentials of FMN in Desulfovibrio vulgaris flavodoxin: thermodynamic properties and crystal structures of glycine-61 mutants.
Biochemistry, 37, 1998
3QI9
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BU of 3qi9 by Molmil
Crystal structure of mouse CD1d-alpha-phosphotidylinositol with mouse Valpha14-Vbeta6 2A3-D NKT TCR
分子名称: 2-[(HYDROXY{[(2R,3R,5S,6R)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL]OXY}PHOSPHORYL)OXY]-1-[(PALMITOYLOXY)METHYL]ETHYL HEPTADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Clarke, A.J, Rossjohn, J.
登録日2011-01-26
公開日2012-02-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A molecular basis for NKT cell recognition of CD1d-self-antigen
Immunity, 34, 2011
3RJM
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BU of 3rjm by Molmil
CASPASE2 IN COMPLEX WITH CHDI LIGAND 33c
分子名称: Caspase-2, Peptide inhibitor (ACE)VDV(3PX)D-CHO
著者Abendroth, J, Lorimer, D, Stewart, L, Maillard, M, Kiselyov, A.S.
登録日2011-04-15
公開日2011-09-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Exploiting differences in caspase-2 and -3 S(2) subsites for selectivity: Structure-based design, solid-phase synthesis and in vitro activity of novel substrate-based caspase-2 inhibitors.
Bioorg.Med.Chem., 19, 2011
1AKR
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BU of 1akr by Molmil
G61A OXIDIZED FLAVODOXIN MUTANT
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Mccarthy, A, Walsh, M, Higgins, T.
登録日1997-05-27
公開日1998-05-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Modulation of the redox potentials of FMN in Desulfovibrio vulgaris flavodoxin: thermodynamic properties and crystal structures of glycine-61 mutants.
Biochemistry, 37, 1998
1AKW
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BU of 1akw by Molmil
G61L OXIDIZED FLAVODOXIN MUTANT
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Mccarthy, A, Walsh, M, Higgins, T.
登録日1997-05-27
公開日1998-05-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Modulation of the redox potentials of FMN in Desulfovibrio vulgaris flavodoxin: thermodynamic properties and crystal structures of glycine-61 mutants.
Biochemistry, 37, 1998
1A14
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BU of 1a14 by Molmil
COMPLEX BETWEEN NC10 ANTI-INFLUENZA VIRUS NEURAMINIDASE SINGLE CHAIN ANTIBODY WITH A 5 RESIDUE LINKER AND INFLUENZA VIRUS NEURAMINIDASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NC10 FV (HEAVY CHAIN), ...
著者Malby, R.L, Mccoy, A.J, Kortt, A.A, Hudson, P.J, Colman, P.M.
登録日1997-12-21
公開日1998-05-13
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Three-dimensional structures of single-chain Fv-neuraminidase complexes.
J.Mol.Biol., 279, 1998
1B0D
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BU of 1b0d by Molmil
Structural effects of monovalent anions on polymorphic lysozyme crystals
分子名称: LYSOZYME, PARA-TOLUENE SULFONATE
著者Vaney, M.C, Broutin, I, Retailleau, P, Lafont, S, Hamiaux, C, Prange, T, Ries-Kautt, M, Ducruix, A.
登録日1998-11-07
公開日1998-11-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural effects of monovalent anions on polymorphic lysozyme crystals.
Acta Crystallogr.,Sect.D, 57, 2001
3PE6
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BU of 3pe6 by Molmil
Crystal Structure of a soluble form of human MGLL in complex with an inhibitor
分子名称: (2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone, Monoglyceride lipase
著者Schubert, C, Schalk-Hih, C.
登録日2010-10-25
公開日2011-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structure of a soluble form of human monoglyceride lipase in complex with an inhibitor at 1.35 A resolution.
Protein Sci., 20, 2011
3RO4
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BU of 3ro4 by Molmil
X-ray Structure of Ketohexokinase in complex with an indazole compound derivative
分子名称: 3-ethyl-6-[(3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-phenyl-1H-indazole, Ketohexokinase, SULFATE ION
著者Abad, M.C, Gibbs, A.C.
登録日2011-04-25
公開日2011-08-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Optimization of a pyrazole hit from FBDD into a novel series of indazoles as ketohexokinase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3RUG
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BU of 3rug by Molmil
Crystal structure of Valpha10-Vbeta8.1 NKT TCR in complex with CD1d-alphaglucosylceramide (C20:2)
分子名称: (11E,14E)-N-[(2S,3S,4R)-1-(alpha-D-glucopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Patel, O, Rossjohn, J.
登録日2011-05-05
公開日2011-08-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A semi-invariant V(alpha)10(+) T cell antigen receptor defines a population of natural killer T cells with distinct glycolipid antigen-recognition properties
Nat.Immunol., 12, 2011
4MCY
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BU of 4mcy by Molmil
Immune Receptor
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Citrullinated Vimentin, ...
著者Scally, S.W, Rossjohn, J.
登録日2013-08-22
公開日2013-11-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A molecular basis for the association of the HLA-DRB1 locus, citrullination, and rheumatoid arthritis.
J.Exp.Med., 210, 2013
4MKW
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BU of 4mkw by Molmil
Comparison of the structural and dynamic effects of 5-methylcytosine and 5-chlorocytosine in a CpG dinucleotide sequence
分子名称: 5methylC DNA dodecamer, MAGNESIUM ION
著者Yin, Y.W.
登録日2013-09-05
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.219 Å)
主引用文献Comparison of the structural and dynamic effects of 5-methylcytosine and 5-chlorocytosine in a CpG dinucleotide sequence.
Biochemistry, 52, 2013
4O1T
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BU of 4o1t by Molmil
Crystal structure of murine neuroglobin mutant F106W
分子名称: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Avella, G, Savino, C, Vallone, B.
登録日2013-12-16
公開日2014-06-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
4NCG
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BU of 4ncg by Molmil
Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses
分子名称: 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Yan, Y.
登録日2013-10-24
公開日2014-02-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses.
Bioorg.Med.Chem.Lett., 24, 2014

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