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2HOR
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BU of 2hor by Molmil
Crystal structure of alliinase from garlic- apo form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Alliin lyase 1, ...
著者Shimon, L.J.W, Rabinkov, A, Wilcheck, M, Mirelman, D, Frolow, F.
登録日2006-07-16
公開日2007-02-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Two Structures of Alliinase from Alliium sativum L.: Apo Form and Ternary Complex with Aminoacrylate Reaction Intermediate Covalently Bound to the PLP Cofactor.
J.Mol.Biol., 366, 2007
2EXI
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BU of 2exi by Molmil
Structure of the family43 beta-Xylosidase D15G mutant from geobacillus stearothermophilus
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Brux, C, Niefind, K, Shallom-Shezifi, D, Shoham, Y, Schomburg, D.
登録日2005-11-08
公開日2006-04-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Structure of an Inverting GH43 beta-Xylosidase from Geobacillus stearothermophilus with its Substrate Reveals the Role of the Three Catalytic Residues.
J.Mol.Biol., 359, 2006
2CDO
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BU of 2cdo by Molmil
structure of agarase carbohydrate binding module in complex with neoagarohexaose
分子名称: 1,2-ETHANEDIOL, 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, BETA-AGARASE 1, ...
著者Henshaw, J, Horne, A, Van Bueren, A.L, Money, V.A, Bolam, D.N, Czjzek, M, Weiner, R.M, Hutcheson, S.W, Davies, G.J, Boraston, A.B, Gilbert, H.J.
登録日2006-01-25
公開日2006-02-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Family 6 Carbohydrate Binding Modules in Beta-Agarases Display Exquisite Selectivity for the Non- Reducing Termini of Agarose Chains.
J.Biol.Chem., 281, 2006
2CBX
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BU of 2cbx by Molmil
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with beta-D-erythrofuranosyl- adenosine
分子名称: 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, BETA-D-ERYTHROFURANOSYL-ADENOSINE, GLYCEROL
著者McEwan, A.R, Cadicamo, C.D, Deng, H, McGlinchey, R.P, Robinson, D.R, O'Hagan, D, Naismith, J.H, Spencer, J.
登録日2006-01-09
公開日2007-03-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Substrate specificity in enzymatic fluorination. The fluorinase from Streptomyces cattleya accepts 2'-deoxyadenosine substrates.
Org. Biomol. Chem., 4, 2006
1J9E
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BU of 1j9e by Molmil
Low Temperature (100K) Crystal Structure of Flavodoxin D. vulgaris S35C Mutant at 1.44 Angstrom Resolution
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Artali, R, Bombieri, G, Meneghetti, F, Gilardi, G, Sadeghi, S.J, Cavazzini, D, Rossi, G.L.
登録日2001-05-25
公開日2001-09-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Comparison of the refined crystal structures of wild-type (1.34 A) flavodoxin from Desulfovibrio vulgaris and the S35C mutant (1.44 A) at 100 K.
Acta Crystallogr.,Sect.D, 58, 2002
2Q7C
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BU of 2q7c by Molmil
Crystal structure of IQN17
分子名称: CHLORIDE ION, fusion protein between yeast variant GCN4 and HIVgp41
著者Malashkevich, V.N, Eckert, D.M, Hong, L.H, Kim, P.S.
登録日2007-06-06
公開日2007-06-19
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibiting HIV Entry: Discovery of D-Peptide Inhibitors that Target the Gp41 Coiled-Coil Pocket
Cell(Cambridge,Mass.), 99, 1999
1HZ2
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BU of 1hz2 by Molmil
SOLUTION NMR STRUCTURE OF SELF-COMPLEMENTARY DUPLEX 5'-D(AGGCG*CCT)2 CONTAINING A TRIMETHYLENE CROSSLINK AT THE N2 POSITION OF G*. MODEL OF A MALONDIALDEHYDE CROSSLINK
分子名称: DNA (5'-D(*AP*GP*GP*CP*GP*CP*CP*T)-3'), PROPANE
著者Dooley, P.A, Tsarouhtsis, D, Korbel, G.A, Nechev, L.V, Shearer, J, Zegar, I.S, Harris, C.M, Stone, M.P, Harris, T.M.
登録日2001-01-23
公開日2001-02-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural studies of an oligodeoxynucleotide containing a trimethylene interstrand cross-link in a 5'-(CpG) motif: model of a malondialdehyde cross-link.
J.Am.Chem.Soc., 123, 2001
4GVT
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BU of 4gvt by Molmil
Crystal structure of D48V mutant of human GLTP bound with 12:0 disulfatide (hexagonal form)
分子名称: Glycolipid transfer protein, N-{(2S,3R,4E)-1-[(3,6-di-O-sulfo-beta-D-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide
著者Samygina, V.R, Cabo-Bilbao, A, Goni-de-Cerio, F, Popov, A.N, Malinina, L.
登録日2012-08-31
公開日2013-04-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural insights into lipid-dependent reversible dimerization of human GLTP.
Acta Crystallogr.,Sect.D, 69, 2013
1Z5T
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BU of 1z5t by Molmil
Crystal Structure of [d(CGCGAA(Z3dU)(Z3dU)CGCG)]2, Z3dU:5-(3-aminopropyl)-2'-deoxyuridine, in presence of thallium I.
分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*(ZDU)P*(ZDU)P*CP*GP*CP*G)-3', SPERMINE, THALLIUM (I) ION
著者Moulaei, T, Maehigashi, T, Lountos, G.T, Komeda, S, Watkins, D, Stone, M.P, Marky, L.A, Li, J.S, Gold, B, Williams, L.D.
登録日2005-03-19
公開日2005-07-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of B-DNA with cations tethered in the major groove.
Biochemistry, 44, 2005
2I87
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BU of 2i87 by Molmil
Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies
分子名称: D-alanine-D-alanine ligase, SULFATE ION
著者Liu, S, Chang, J.S, Herberg, J.T, Horng, M, Tomich, P.K, Lin, A.H, Marotti, K.R.
登録日2006-09-01
公開日2006-10-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies.
Proc.Natl.Acad.Sci.Usa, 103, 2006
3RLB
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BU of 3rlb by Molmil
Crystal structure at 2.0 A of the S-component for thiamin from an ECF-type ABC transporter
分子名称: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, ThiT, nonyl beta-D-glucopyranoside
著者Erkens, G.B, Berntsson, R.P.-A, Fulyani, F, Majsnerowska, M, Vujicic-Zagar, A, ter Beek, J, Poolman, B, Slotboom, D.J.
登録日2011-04-19
公開日2011-06-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structural basis of modularity in ECF-type ABC transporters.
Nat.Struct.Mol.Biol., 18, 2011
2FMN
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BU of 2fmn by Molmil
Ala177Val mutant of E. coli Methylenetetrahydrofolate Reductase complex with LY309887
分子名称: 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE, N-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL]ETHYL}-2-THIENYL)CARBONYL]-L-GLUTAMIC ACID
著者Pejchal, R, Campbell, E, Guenther, B.D, Lennon, B.W, Matthews, R.G, Ludwig, M.L.
登録日2006-01-09
公開日2006-04-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Perturbations in the Ala -> Val Polymorphism of Methylenetetrahydrofolate Reductase: How Binding of Folates May Protect against Inactivation
Biochemistry, 45, 2006
2FGI
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BU of 2fgi by Molmil
CRYSTAL STRUCTURE OF THE TYROSINE KINASE DOMAIN OF FGF RECEPTOR 1 IN COMPLEX WITH INHIBITOR PD173074
分子名称: 1-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)-PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA, PROTEIN (FIBROBLAST GROWTH FACTOR (FGF) RECEPTOR 1)
著者Mohammadi, M, Froum, S, Hamby, J.M, Schroeder, M, Panek, R.L, Lu, G.H, Eliseenkova, A.V, Green, D, Schlessinger, J, Hubbard, S.R.
登録日1998-09-15
公開日1999-09-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of an angiogenesis inhibitor bound to the FGF receptor tyrosine kinase domain.
EMBO J., 17, 1998
3PP1
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BU of 3pp1 by Molmil
Crystal Structure of the Human Mitogen-activated protein kinase kinase 1 (MEK 1) in complex with ligand and MgATP
分子名称: 3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Dougan, D.R.
登録日2010-11-23
公開日2011-02-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of TAK-733, a potent and selective MEK allosteric site inhibitor for the treatment of cancer.
Bioorg.Med.Chem.Lett., 21, 2011
2QKX
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BU of 2qkx by Molmil
N-acetyl glucosamine 1-phosphate uridyltransferase from Mycobacterium tuberculosis complex with N-acetyl glucosamine 1-phosphate
分子名称: 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, Bifunctional protein glmU
著者Zhang, Z, Squire, C.J, Baker, E.N, TB Structural Genomics Consortium (TBSGC)
登録日2007-07-11
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure and function of GlmU from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 65, 2009
2AM4
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BU of 2am4 by Molmil
Crystal Structure of N-Acetylglucosaminyltransferase I in Complex with UDP-2-deoxy-2-fluoro-glucose
分子名称: Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase, GLYCEROL, MANGANESE (II) ION, ...
著者Rini, J.M, Gordon, R.D.
登録日2005-08-08
公開日2006-06-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-ray Crystal Structures of Rabbit N-acetylglucosaminyltransferase I (GnT I) in Complex with Donor Substrate Analogues.
J.Mol.Biol., 360, 2006
2AXE
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BU of 2axe by Molmil
IODINATED COMPLEX OF ACETYL XYLAN ESTERASE AT 1.80 ANGSTROMS
分子名称: ACETYL XYLAN ESTERASE, SULFATE ION
著者Ghosh, D, Erman, M, Sawicki, M.W, Lala, P, Weeks, D.R, Li, N, Pangborn, W, Thiel, D.J, Jornvall, H, Eyzaguirre, J.
登録日1998-09-01
公開日1999-05-18
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Determination of a protein structure by iodination: the structure of iodinated acetylxylan esterase.
Acta Crystallogr.,Sect.D, 55, 1999
3U0U
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BU of 3u0u by Molmil
Crystal structure of the DB1883-D(CGCGAATTCGCG)2 complex at 1.24 A resolution
分子名称: 2-(4'-carbamimidoylbiphenyl-4-yl)-1H-indole-6-carboximidamide, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION
著者Wei, D.G, Neidle, S.
登録日2011-09-29
公開日2012-09-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Small-molecule binding to the DNA minor groove is mediated by a conserved water cluster.
J.Am.Chem.Soc., 135, 2013
2ORK
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BU of 2ork by Molmil
crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with inositol-1-phosphate
分子名称: CALCIUM ION, D-MYO-INOSITOL-1-PHOSPHATE, Pulmonary surfactant-associated protein D
著者Head, J.F.
登録日2007-02-02
公開日2007-05-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Critical Role of Arg/Lys343 in the Species-Dependent Recognition of Phosphatidylinositol by Pulmonary Surfactant Protein D.
Biochemistry, 46, 2007
2FFX
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Structure of Human Ferritin L. Chain
分子名称: CADMIUM ION, SULFATE ION, ferritin light chain
著者Wang, Z.M, Li, C, Ellenburg, M.P, Soitsman, E.M, Ruble, J.R, Wright, B.S, Ho, J.X, Carter, D.C.
登録日2005-12-20
公開日2006-07-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of human ferritin L chain
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
3U08
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Crystal structure of DB1963-D(CGCGAATTCGCG)2 complex at 1.25 A resolution
分子名称: 4'-(5-carbamimidoyl-1H-benzimidazol-2-yl)biphenyl-4-carboxamide, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION
著者Wei, D.G, Neidle, S.
登録日2011-09-28
公開日2012-09-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Small-molecule binding to the DNA minor groove is mediated by a conserved water cluster.
J.Am.Chem.Soc., 135, 2013
3PRE
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BU of 3pre by Molmil
Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
分子名称: 2-amino-8-(trans-4-methoxycyclohexyl)-4-methyl-6-(1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Knighton, D.R, Greasley, S.E, Rodgers, C.M.-L.
登録日2010-11-29
公開日2011-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3U05
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Crystal structure of DB1804-D(CGCGAATTCGCG)2 complex
分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1H-indole, MAGNESIUM ION
著者Wei, D.G, Neidle, S.
登録日2011-09-28
公開日2012-09-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Small-molecule binding to the DNA minor groove is mediated by a conserved water cluster.
J.Am.Chem.Soc., 135, 2013
2Q5U
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Crystal structure of IQN17
分子名称: CHLORIDE ION, Fusion protein between yeast variant GCN4 and HIVgp41
著者Malashkevich, V.N, Eckert, D.M, Hong, L.H, Kim, P.S.
登録日2007-06-01
公開日2007-06-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Inhibiting HIV Entry: Discovery of D-Peptide Inhibitors that Target the Gp41 Coiled-Coil Pocket
Cell(Cambridge,Mass.), 99, 1999
2EXH
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BU of 2exh by Molmil
Structure of the family43 beta-Xylosidase from geobacillus stearothermophilus
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Brux, C, Niefind, K, Shallom-Shezifi, D, Yuval, S, Schomburg, D.
登録日2005-11-08
公開日2006-04-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The Structure of an Inverting GH43 beta-Xylosidase from Geobacillus stearothermophilus with its Substrate Reveals the Role of the Three Catalytic Residues.
J.Mol.Biol., 359, 2006

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