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4S1Y
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BU of 4s1y by Molmil
X-ray structure of human serum albumin complexed with cisplatin
分子名称: Cisplatin, Serum albumin
著者Merlino, A.
登録日2015-01-16
公開日2015-04-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Cisplatin binding to human serum albumin: a structural study.
Chem.Commun.(Camb.), 51, 2015
4RNC
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BU of 4rnc by Molmil
Crystal structure of an esterase RhEst1 from Rhodococcus sp. ECU1013
分子名称: Esterase, PHOSPHATE ION
著者Dou, S, Kong, X.D, Xu, J.H, Zhou, J.
登録日2014-10-23
公開日2015-10-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Substrate channel evolution of an esterase for the synthesis of Cilastatin
CATALYSIS SCIENCE AND TECHNOLOGY, 5, 2015
4OOK
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BU of 4ook by Molmil
Third Metal bound M.tuberculosis methionine aminopeptidase
分子名称: COBALT (II) ION, Methionine aminopeptidase 2, SODIUM ION
著者Reddi, R, Addlagatta, A.
登録日2014-02-03
公開日2015-02-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Selective targeting of the conserved active site cysteine of Mycobacterium tuberculosis methionine aminopeptidase with electrophilic reagents
Febs J., 281, 2014
4OOT
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BU of 4oot by Molmil
X-ray structure of the protein-gold adduct formed upon reaction of Aubipic with hen egg white lysozyme
分子名称: 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ...
著者Merlino, A.
登録日2014-02-04
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Protein Recognition of Gold-Based Drugs: 3D Structure of the Complex Formed When Lysozyme Reacts with Aubipy(c.).
ACS Med Chem Lett, 5, 2014
4OVF
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BU of 4ovf by Molmil
E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
分子名称: (2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
4K3P
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BU of 4k3p by Molmil
E. coli sliding clamp in complex with AcQLALF
分子名称: (ACE)QLALF, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Yin, Z, Oakley, A.J.
登録日2013-04-11
公開日2013-05-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp
J.Med.Chem., 56, 2013
4KO7
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BU of 4ko7 by Molmil
Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/W48F/V95I)
分子名称: Azurin, COPPER (II) ION
著者Inampudi, K.K, Meng, W, Tobin, P.H, Wilson, C.J.
登録日2013-05-11
公開日2014-05-14
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/W48F/V95I)
To be Published
2Z2F
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BU of 2z2f by Molmil
X-ray Crystal Structure of Bovine Stomach Lysozyme
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Lysozyme C-2, SODIUM ION
著者Akieda, D, Nonaka, Y, Watanabe, N, Tanaka, I, Kamiya, M, Aizawa, T, Nitta, K, Demura, M, Kawano, K.
登録日2007-05-21
公開日2008-05-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Stability of Bovine Stomach Lysozyme in Acidic Condition
To be Published
2Z5F
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BU of 2z5f by Molmil
Human sulfotransferase Sult1b1 in complex with PAP
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase family cytosolic 1B member 1
著者Dombrovski, L, Pegasova, T, Wu, H, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Structural Genomics Consortium (SGC)
登録日2007-07-07
公開日2007-08-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of human sulfotransferases SULT1B1 and SULT1C1 complexed with the cofactor product adenosine-3'-5'-diphosphate (PAP)
Proteins, 64, 2006
3MOU
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BU of 3mou by Molmil
Characterization of the Inhibitor Binding Site of the Dehaloperoxidase-Hemoglobin from Amphitrite ornata using High-Pressure Xenon Derivatization
分子名称: Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
著者de Serrano, V.S, Franzen, S.
登録日2010-04-23
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.711 Å)
主引用文献Characterization of the Inhibitor Binding Site of the Dehaloperoxidase-Hemoglobin from Amphitrite ornata using High-Pressure Xenon Derivatization
To be Published
4K3R
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BU of 4k3r by Molmil
E. coli sliding clamp in complex with AcQLDLA
分子名称: (ACE)QLDLA, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2013-04-11
公開日2013-05-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp
J.Med.Chem., 56, 2013
2Z2E
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BU of 2z2e by Molmil
Crystal Structure of Canine Milk Lysozyme Stabilized against Non-enzymatic Deamidation
分子名称: Lysozyme C, milk isozyme, SULFATE ION
著者Nonaka, Y, Akieda, D, Watanabe, N, Tanaka, I, Kamiya, M, Aizawa, T, Nitta, K, Demura, M, Kawano, K.
登録日2007-05-21
公開日2007-11-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Spontaneous asparaginyl deamidation of canine milk lysozyme under mild conditions
Proteins, 72, 2008
4KJV
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BU of 4kjv by Molmil
Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor.
分子名称: 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Lukacs, C.M, Janson, C.A.
登録日2013-05-03
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
3N0D
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BU of 3n0d by Molmil
Crystal structure of WDR5 mutant (W330F)
分子名称: WD repeat-containing protein 5
著者Wu, Y.-D, Wu, X.-H, Gao, Y, Chen, R.-C.
登録日2010-05-13
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Effect of Asp-His-Ser/Thr-Trp Tetrad on the Thermostability of WD40-Repeat Proteins
Biochemistry, 49, 2010
3N3G
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BU of 3n3g by Molmil
4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important
分子名称: (E)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine, 6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile, Cathepsin S, ...
著者Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
登録日2010-05-20
公開日2010-07-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important.
Bioorg.Med.Chem.Lett., 20, 2010
3MXX
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BU of 3mxx by Molmil
Crystal structure of WDR5 mutant (S62A)
分子名称: WD repeat-containing protein 5
著者Wu, Y.-D, Wu, X.-H, Gao, Y, Chen, R.-C.
登録日2010-05-08
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The Effect of Asp-His-Ser/Thr-Trp Tetrad on the Thermostability of WD40-Repeat Proteins
Biochemistry, 49, 2010
3MX4
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BU of 3mx4 by Molmil
DNA binding and cleavage by the GIY-YIG endonuclease R.Eco29KI inactive variant E142Q
分子名称: DNA (5'-D(P*CP*GP*GP*GP*AP*GP*GP*CP*CP*CP*GP*CP*GP*GP*GP*CP*CP*GP*CP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*GP*CP*GP*GP*CP*CP*CP*GP*CP*GP*GP*GP*CP*CP*TP*CP*CP*CP*G)-3'), Eco29kIR
著者Mak, A.N.S, Lambert, A.R, Stoddard, B.L.
登録日2010-05-06
公開日2010-09-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Folding, DNA Recognition, and Function of GIY-YIG Endonucleases: Crystal Structures of R.Eco29kI.
Structure, 18, 2010
6RPS
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BU of 6rps by Molmil
X-ray crystal structure of carbonic anhydrase XII complexed with a theranostic monoclonal antibody fragment
分子名称: ACETATE ION, CADMIUM ION, CHLORIDE ION, ...
著者Alterio, V, Esposito, D, De Simone, G.
登録日2019-05-14
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Biochemical and Structural Insights into Carbonic Anhydrase XII/Fab6A10 Complex.
J.Mol.Biol., 431, 2019
3N4L
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BU of 3n4l by Molmil
BACE-1 in complex with ELN380842
分子名称: Beta-secretase 1, N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide
著者Yao, N.H.
登録日2010-05-21
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents.
Bioorg.Med.Chem.Lett., 20, 2010
4LBF
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BU of 4lbf by Molmil
Crystal structure of HUMAN ALPHA-DEFENSIN 1 (HNP1) I20A/L25A mutant
分子名称: GLYCEROL, Neutrophil defensin 1
著者Tolbert, W.D, Wu, X, Pazgier, M.
登録日2013-06-20
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Single, Double and Quadruple Alanine Substitutions at Oligomeric Interfaces Identify Hydrophobicity as the Key Determinant of Human Neutrophil Alpha Defensin HNP1 Function.
Plos One, 8, 2013
3N0E
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BU of 3n0e by Molmil
Crystal structure of WDR5 mutant (W330Y)
分子名称: WD repeat-containing protein 5
著者Wu, Y.-D, Wu, X.-H, Gao, Y, Chen, R.-C.
登録日2010-05-13
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Effect of Asp-His-Ser/Thr-Trp Tetrad on the Thermostability of WD40-Repeat Proteins
Biochemistry, 49, 2010
4MFF
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BU of 4mff by Molmil
Structure of human DNA polymerase beta complexed with O6MG in the template base paired with incoming non-hydrolyzable TTP
分子名称: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA polymerase beta, MAGNESIUM ION, ...
著者Koag, M.C, Min, K, Monzingo, A.F, Lee, S.
登録日2013-08-27
公開日2014-04-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Metal-dependent conformational activation explains highly promutagenic replication across O6-methylguanine by human DNA polymerase beta.
J.Am.Chem.Soc., 136, 2014
4MFC
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BU of 4mfc by Molmil
Structure of human DNA polymerase beta complexed with O6MG in the template base paired with incoming non-hydrolyzable CTP
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA polymerase beta, MAGNESIUM ION, ...
著者Koag, M.C, Min, K, Monzingo, A.F, Lee, S.
登録日2013-08-27
公開日2014-04-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Metal-dependent conformational activation explains highly promutagenic replication across O6-methylguanine by human DNA polymerase beta.
J.Am.Chem.Soc., 136, 2014
4MGV
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BU of 4mgv by Molmil
Crystal structure of FK506 binding domain of plasmodium VIVAX FKBP35 In complex with inhibitor D5
分子名称: 70 kDa peptidylprolyl isomerase, putative, N'-(1-adamantylcarbonyl)pyridine-4-carbohydrazide
著者Rajan, S, Harikishore, A, Yoon, H.S.
登録日2013-08-29
公開日2013-12-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Adamantyl derivative as a potent inhibitor of Plasmodium FK506 binding protein 35.
Acs Med.Chem.Lett., 4, 2013
3N9K
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F229A/E292S Double Mutant of Exo-beta-1,3-glucanase from Candida albicans in Complex with Laminaritriose at 1.7 A
分子名称: CALCIUM ION, Glucan 1,3-beta-glucosidase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ...
著者Nakatani, Y, Cutfield, S.M, Cutfield, J.F.
登録日2010-05-30
公開日2010-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Carbohydrate binding sites in Candida albicans exo-beta-1,3-glucanase and the role of the Phe-Phe 'clamp' at the active site entrance
Febs J., 277, 2010

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