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4R41
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BU of 4r41 by Molmil
Complex Crystal structure of 4-nitro-2-phosphono-benzoic acid with sp-Aspartate-Semialdehyde Dehydrogenase and Nicotinamide-dinucleotide
分子名称: 1,2-ETHANEDIOL, 4-nitro-2-phosphonobenzoic acid, ACETATE ION, ...
著者Pavlovsky, A.G, Viola, R.E.
登録日2014-08-18
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4R3N
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BU of 4r3n by Molmil
Crystal structure of the ternary complex of sp-ASADH with NADP and 1,2,3-Benzenetricarboxylic acid
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Aspartate-semialdehyde dehydrogenase, ...
著者Pavlovsky, A.G, Viola, R.E.
登録日2014-08-16
公開日2014-12-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4R3W
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BU of 4r3w by Molmil
Crystal Structure Analysis of the 1,2,3-tricarboxylate benzoic acid bound to sp-ASADH-2'5'-ADP complex
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-2'-5'-DIPHOSPHATE, ...
著者Pavlovsky, A.G, Viola, R.E.
登録日2014-08-18
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4IQH
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BU of 4iqh by Molmil
Crystal Structure Analysis of Dysferlin C2A variant 1 (C2Av1)
分子名称: Dysferlin
著者Sutton, R.B, Fuson, K.L.
登録日2013-01-11
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.764 Å)
主引用文献Alternate Splicing of Dysferlin C2A Confers Ca(2+)-Dependent and Ca(2+)-Independent Binding for Membrane Repair.
Structure, 22, 2014
3TPK
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BU of 3tpk by Molmil
Crystal structure of the oligomer-specific KW1 antibody fragment
分子名称: 1,2-ETHANEDIOL, BENZAMIDINE, Immunoglobulin heavy chain antibody variable domain KW1
著者Parthier, C, Morgado, I, Stubbs, M.T, Fandrich, M.
登録日2011-09-08
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular basis of beta-amyloid oligomer recognition with a conformational antibody fragment.
Proc.Natl.Acad.Sci.USA, 109, 2012
1TRA
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BU of 1tra by Molmil
RESTRAINED REFINEMENT OF THE MONOCLINIC FORM OF YEAST PHENYLALANINE TRANSFER RNA. TEMPERATURE FACTORS AND DYNAMICS, COORDINATED WATERS, AND BASE-PAIR PROPELLER TWIST ANGLES
分子名称: MAGNESIUM ION, TRNAPHE
著者Westhof, E, Sundaralingam, M.
登録日1986-05-16
公開日1986-07-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Restrained refinement of the monoclinic form of yeast phenylalanine transfer RNA. Temperature factors and dynamics, coordinated waters, and base-pair propeller twist angles.
Biochemistry, 25, 1986
3RTV
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BU of 3rtv by Molmil
Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in a closed ternary complex with natural primer/template DNA
分子名称: (5'-D(*AP*AP*AP*GP*CP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DDG))-3'), 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ...
著者Marx, A, Diederichs, K, Betz, K.
登録日2011-05-04
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
3SZ2
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BU of 3sz2 by Molmil
Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in an open binary complex with dG as templating nucleobase
分子名称: (5'-D(*AP*AP*AP*GP*CP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DDG))-3'), DNA polymerase I, ...
著者Betz, K, Marx, A, Diederichs, K.
登録日2011-07-18
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
3T9G
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BU of 3t9g by Molmil
The crystal structure of family 3 pectate lyase from Caldicellulosiruptor bescii
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ...
著者Alahuhta, P.M, Lunin, V.V.
登録日2011-08-02
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A 1.5 A resolution X-ray structure of the catalytic module of Caldicellulosiruptor bescii family 3 pectate lyase.
Acta Crystallogr.,Sect.F, 67, 2011
2EC9
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BU of 2ec9 by Molmil
Crystal structure analysis of human Factor VIIa , Souluble tissue factor complexed with BCX-3607
分子名称: 1,5-anhydro-D-glucitol, 2'-((5-CARBAMIMIDOYLPYRIDIN-2-YLAMINO)METHYL)-4-(ISOBUTYLCARBAMOYL)-4'-VINYLBIPHENYL-2-CARBOXYLIC ACID, CALCIUM ION, ...
著者Raman, K, Yarlagadda, B.
登録日2007-02-13
公開日2008-02-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Probing the S2 site of factor VIIa to generate potent and selective inhibitors: the structure of BCX-3607 in complex with tissue factor-factor VIIa.
Acta Crystallogr.,Sect.D, 63, 2007
3V15
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BU of 3v15 by Molmil
Crystal structure of the Fe(II)/alpha-ketoglutarate dependent taurine dioxygenase from Pseudomonas putida KT2440
分子名称: Alpha-ketoglutarate-dependent taurine dioxygenase
著者Knauer, S.H, Dobbek, H.
登録日2011-12-09
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Fe(II) / alpha-ketoglutarate dependent taurine dioxygenases from Pseudomonas putida and Escherichia coli are tetramers
Febs J., 279, 2012
3SV4
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BU of 3sv4 by Molmil
Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in an open binary complex with dT as templating nucleobase
分子名称: (5'-D(*AP*AP*AP*TP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), DNA polymerase I, ...
著者Betz, K, Diederichs, K, Marx, A.
登録日2011-07-12
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
3SYZ
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BU of 3syz by Molmil
Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in an open binary complex with dNaM as templating nucleobase
分子名称: (5'-D(*AP*AP*AP*(BMN)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), DNA polymerase I, ...
著者Betz, K, Diederichs, K, Marx, A.
登録日2011-07-18
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
3SV3
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BU of 3sv3 by Molmil
Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in a closed ternary complex with the artificial base pair dNaM-d5SICSTP
分子名称: (5'-D(*AP*AP*AP*(BMN)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), 2-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-6-methylisoquinoline-1(2H)-thione, ...
著者Betz, K, Diederichs, K, Marx, A.
登録日2011-07-12
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
3TBI
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BU of 3tbi by Molmil
Crystal structure of T4 gp33 bound to E. coli RNAP beta-flap domain
分子名称: DNA-directed RNA polymerase subunit beta, RNA polymerase-associated protein Gp33
著者Twist, K.A.F, Campbell, E.A, Darst, S.A.
登録日2011-08-06
公開日2011-11-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of T4 gp33 bound to E. coli RNAP beta-flap domain
To be Published
4DDS
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BU of 4dds by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 11
分子名称: 3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DE0
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BU of 4de0 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 16
分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide
著者Nichols, D.N, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
3V17
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BU of 3v17 by Molmil
Crystal structure of the Fe(II)/alpha-ketoglutarate dependent taurine dioxygenase from Pseudomonas putida KT2440
分子名称: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent taurine dioxygenase
著者Knauer, S.H, Dobbek, H.
登録日2011-12-09
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献The Fe(II) / alpha-ketoglutarate dependent taurine dioxygenases from Pseudomonas putida and Escherichia coli are tetramers
Febs J., 279, 2012
2HZY
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BU of 2hzy by Molmil
Mouse fumarylacetoacetate hydrolase complexes with a transition-state mimic of the complete substrate
分子名称: 4-(2-CARBOXYETHYL)(HYDROXY)PHOSPHORYL]-3-OXOBUTANOIC ACID, CALCIUM ION, Fumarylacetoacetase, ...
著者Hurley, T.D, Timm, D.E.
登録日2006-08-09
公開日2006-08-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Slow-onset inhibition of fumarylacetoacetate hydrolase by phosphinate mimics of the tetrahedral intermediate: kinetics, crystal structure and pharmacokinetics.
Biochem.J., 402, 2007
2LXS
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BU of 2lxs by Molmil
Allosteric communication in the KIX domain proceeds through dynamic re-packing of the hydrophobic core
分子名称: CREB-binding protein, Histone-lysine N-methyltransferase MLL
著者Bruschweiler, S, Schanda, P, Konrat, R, Tollinger, M.
登録日2012-08-31
公開日2013-06-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Allosteric communication in the KIX domain proceeds through dynamic repacking of the hydrophobic core.
Acs Chem.Biol., 8, 2013
4P2T
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BU of 4p2t by Molmil
Crystal structure of Kaposi's sarcoma-associated herpesvirus (KSHV) protease in complex with a dimer disruptor
分子名称: 6-(cyclohexylmethyl)-N-[4-(methylsulfonylcarbamoyl)-2-(phenylmethyl)phenyl]pyridine-2-carboxamide, DIMETHYL SULFOXIDE, KSHV Protease
著者Gable, J.E.
登録日2014-03-04
公開日2014-07-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Broad-spectrum allosteric inhibition of herpesvirus proteases.
Biochemistry, 53, 2014
4P3H
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BU of 4p3h by Molmil
Crystal structure of Kaposi's sarcoma-associated herpesvirus (KSHV) protease in complex with dimer disruptor
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, KSHV protease, ...
著者Gable, J.E.
登録日2014-03-07
公開日2014-07-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Broad-spectrum allosteric inhibition of herpesvirus proteases.
Biochemistry, 53, 2014
2LXT
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BU of 2lxt by Molmil
Allosteric communication in the KIX domain proceeds through dynamic re-packing of the hydrophobic core
分子名称: CREB-binding protein, Cyclic AMP-responsive element-binding protein 1, Histone-lysine N-methyltransferase MLL
著者Bruschweiler, S, Schanda, P, Konrat, R, Tollinger, M.
登録日2012-08-31
公開日2013-06-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Allosteric communication in the KIX domain proceeds through dynamic repacking of the hydrophobic core.
Acs Chem.Biol., 8, 2013
2KMI
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BU of 2kmi by Molmil
MESD(12-155), The Core Structural Domain of MESD that Is Essential for Proper Folding of LRP5/6
分子名称: Mesoderm development candidate 2
著者Chen, J, Wang, J.
登録日2009-07-28
公開日2010-06-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure note: solution structure of the core domain of MESD that is essential for proper folding of LRP5/6.
J.Biomol.Nmr, 47, 2010
2KM0
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BU of 2km0 by Molmil
Cu(I)-bound CopK
分子名称: COPPER (I) ION, Copper resistance protein K
著者Bersch, B.
登録日2009-07-15
公開日2010-03-16
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献CopK from Cupriavidus metallidurans CH34 Binds Cu(I) in a Tetrathioether Site: Characterization by X-ray Absorption and NMR Spectroscopy
J.Am.Chem.Soc., 2010

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