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6O9C
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BU of 6o9c by Molmil
Crystal structure of HLA-A3*01 in complex with a mutant beta-catenin peptide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, Catenin beta-1, ...
著者Miller, M.S, Gabelli, S.B.
登録日2019-03-13
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献An engineered antibody fragment targeting mutant beta-catenin via major histocompatibility complex I neoantigen presentation.
J.Biol.Chem., 294, 2019
3E37
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BU of 3e37 by Molmil
Protein farnesyltransferase complexed with bisubstrate ethylenediamine scaffold inhibitor 5
分子名称: Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ZINC ION, ...
著者Hast, M.A, Beese, L.S.
登録日2008-08-06
公開日2009-03-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase.
Chem.Biol., 16, 2009
3E27
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BU of 3e27 by Molmil
Nicotinic acid mononucleotide (NaMN) adenylyltransferase from Bacillus anthracis: product complex
分子名称: MAGNESIUM ION, NICOTINIC ACID ADENINE DINUCLEOTIDE, Nicotinate (Nicotinamide) nucleotide adenylyltransferase
著者Martynowski, D, Eyobo, Y, Zhang, H.
登録日2008-08-05
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Targeting NAD biosynthesis in bacterial pathogens: Structure-based development of inhibitors of nicotinate mononucleotide adenylyltransferase NadD.
Chem.Biol., 16, 2009
3E32
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BU of 3e32 by Molmil
Protein farnesyltransferase complexed with FPP and ethylenediamine scaffold inhibitor 2
分子名称: FARNESYL DIPHOSPHATE, N-benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-1H-imidazole-4-sulfonamide, Protein farnesyltransferase subunit beta, ...
著者Hast, M.A, Beese, L.S.
登録日2008-08-06
公開日2009-03-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase.
Chem.Biol., 16, 2009
3E34
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BU of 3e34 by Molmil
Protein farnesyltransferase complexed with FPP and ethylenediamine-scaffold inhibitor 10
分子名称: 3-{2'-[{[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl}(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)sulfamoyl]biphenyl-3-yl}propanoic acid, FARNESYL DIPHOSPHATE, Protein farnesyltransferase subunit beta, ...
著者Hast, M.A, Beese, L.S.
登録日2008-08-06
公開日2009-03-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase.
Chem.Biol., 16, 2009
3E30
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BU of 3e30 by Molmil
Protein farnesyltransferase complexed with FPP and ethylene diamine inhibitor 4
分子名称: FARNESYL DIPHOSPHATE, Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ...
著者Hast, M.A, Beese, L.S.
登録日2008-08-06
公開日2009-03-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase.
Chem.Biol., 16, 2009
3F4C
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BU of 3f4c by Molmil
Crystal structure of organophosphorus hydrolase from Geobacillus stearothermophilus strain 10, with glycerol bound
分子名称: COBALT (II) ION, GLYCEROL, Organophosphorus hydrolase
著者Hawwa, R, Aikens, J, Turner, R.J, Santarsiero, B, Mesecar, A.
登録日2008-10-31
公開日2009-09-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural basis for thermostability revealed through the identification and characterization of a highly thermostable phosphotriesterase-like lactonase from Geobacillus stearothermophilus.
Arch.Biochem.Biophys., 488, 2009
3FZO
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BU of 3fzo by Molmil
Crystal Structure of PYK2-Apo, Proline-rich Tyrosine Kinase
分子名称: Protein tyrosine kinase 2 beta
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZR
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BU of 3fzr by Molmil
Crystal structure of PYK2 complexed with PF-431396
分子名称: N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide, PHOSPHATE ION, Protein tyrosine kinase 2 beta
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZP
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BU of 3fzp by Molmil
Crystal structure of PYK2 complexed with ATPgS
分子名称: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein tyrosine kinase 2 beta, SULFATE ION
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZS
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BU of 3fzs by Molmil
Crystal Structure of PYK2 complexed with BIRB796
分子名称: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Protein tyrosine kinase 2 beta
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZT
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BU of 3fzt by Molmil
Crystal structure of PYK2 complexed with PF-4618433
分子名称: 1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1H-pyrazol-5-yl}urea, Protein tyrosine kinase 2 beta
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3GE3
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BU of 3ge3 by Molmil
Crystal Structure of the reduced Toluene 4-Monooxygenase HD T201A mutant complex
分子名称: ACETATE ION, CHLORIDE ION, FE (III) ION, ...
著者Elsen, N.L, Bailey, L.J, Fox, B.G.
登録日2009-02-24
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Role for threonine 201 in the catalytic cycle of the soluble diiron hydroxylase toluene 4-monooxygenase.
Biochemistry, 48, 2009
3GAB
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BU of 3gab by Molmil
C-terminal domain of Bacillus subtilis MutL crystal form I
分子名称: DNA mismatch repair protein mutL
著者Guarne, A, Pillon, M.C, Lorenowicz, J.J, Mitchell, R.R, Chung, Y.S, Friedhoff, P.
登録日2009-02-17
公開日2010-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the endonuclease domain of MutL: unlicensed to cut.
Mol.Cell, 39, 2010
3E33
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BU of 3e33 by Molmil
Protein farnesyltransferase complexed with FPP and ethylenediamine scaffold inhibitor 7
分子名称: FARNESYL DIPHOSPHATE, N-benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzenesulfonamide, Protein farnesyltransferase subunit beta, ...
著者Hast, M.A, Beese, L.S.
登録日2008-08-06
公開日2009-03-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase.
Chem.Biol., 16, 2009
3DLK
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BU of 3dlk by Molmil
Crystal Structure of an engineered form of the HIV-1 Reverse Transcriptase, RT69A
分子名称: Reverse transcriptase/ribonuclease H, SULFATE ION, p51 RT
著者Ho, W.C, Bauman, J.D, Himmel, D.M, Das, K, Arnold, E.
登録日2008-06-27
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal engineering of HIV-1 reverse transcriptase for structure-based drug design.
Nucleic Acids Res., 36, 2008
3H8V
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BU of 3h8v by Molmil
Human Ubiquitin-activating Enzyme 5 in Complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Ubiquitin-like modifier-activating enzyme 5, ZINC ION
著者Walker, J.R, Bacik, J.P, Rastgoo, N, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2009-04-29
公開日2009-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the human ubiquitin-activating enzyme 5 (UBA5) bound to ATP: mechanistic insights into a minimalistic E1 enzyme.
J.Biol.Chem., 285, 2010
3GU1
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BU of 3gu1 by Molmil
Y97W mutant in organophosphorus hydrolase from Deinococcus radiodurans
分子名称: COBALT (II) ION, GLYCEROL, Organophosphorus hydrolase
著者Hawwa, R, Larsen, S, Ratia, K, Mesecar, A.
登録日2009-03-28
公開日2009-06-30
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans.
J.Mol.Biol., 393, 2009
3GTH
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BU of 3gth by Molmil
D71G/E101G/M234I mutant in organophosphorus hydrolase from Deinococcus radiodurans
分子名称: COBALT (II) ION, FORMIC ACID, Organophosphorus hydrolase
著者Hawwa, R, Larsen, S, Ratia, K, Mesecar, A.
登録日2009-03-27
公開日2009-06-30
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans.
J.Mol.Biol., 393, 2009
3GU2
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BU of 3gu2 by Molmil
Y97L/G100-/E101- mutant in organophosphorus hydrolase
分子名称: COBALT (II) ION, Organophosphorus hydrolase
著者Hawwa, R, Larsen, S, Ratia, K, Mesecar, A.
登録日2009-03-28
公開日2009-06-30
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans.
J.Mol.Biol., 393, 2009
3GU9
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BU of 3gu9 by Molmil
R228A mutation in organophosphorus hydrolase from Deinococcus radiodurans
分子名称: COBALT (II) ION, Organophosphorus hydrolase
著者Hawwa, R, Larsen, S, Ratia, K, Mesecar, A.
登録日2009-03-28
公開日2009-06-30
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans.
J.Mol.Biol., 393, 2009
3GX2
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BU of 3gx2 by Molmil
TteSAM-I riboswitch variant A94GU34C bound to sinefungin
分子名称: MAGNESIUM ION, RNA (94-MER), SINEFUNGIN
著者Montange, R.K, Batey, R.T.
登録日2009-04-01
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discrimination between Closely Related Cellular Metabolites by the SAM-I Riboswitch.
J.Mol.Biol., 396, 2010
3GX6
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BU of 3gx6 by Molmil
Crystal structure of the T. tengcongensis SAM-I riboswitch variant U34C/A94G bound with SAM in manganese chloride
分子名称: MANGANESE (II) ION, RNA (94-MER), S-ADENOSYLMETHIONINE
著者Montange, R.K, Batey, R.T.
登録日2009-04-01
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discrimination between Closely Related Cellular Metabolites by the SAM-I Riboswitch.
J.Mol.Biol., 396, 2010
3F4D
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BU of 3f4d by Molmil
Crystal structure of organophosphorus hydrolase from Geobacillus stearothermophilus strain 10
分子名称: COBALT (II) ION, Organophosphorus hydrolase
著者Hawwa, R, Aikens, J, Turner, R.J, Santarsiero, B, Mesecar, A.
登録日2008-10-31
公開日2009-08-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structural basis for thermostability revealed through the identification and characterization of a highly thermostable phosphotriesterase-like lactonase from Geobacillus stearothermophilus.
Arch.Biochem.Biophys., 488, 2009
3GK1
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BU of 3gk1 by Molmil
X-ray structure of bovine SBi132,Ca(2+)-S100B
分子名称: 2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide, CACODYLATE ION, CALCIUM ION, ...
著者Charpentier, T.H, Weber, D.J, Toth, E.A.
登録日2009-03-09
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography.
Biochemistry, 48, 2009

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