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4N2K
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Crystal structure of Protein Arginine Deiminase 2 (Q350A, 0 mM Ca2+)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
登録日2013-10-05
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4N7F
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BU of 4n7f by Molmil
Crystal structure of 3rd WW domain of human Nedd4-1
分子名称: E3 ubiquitin-protein ligase NEDD4
著者Qi, S, O'Hayre, M, Gutkind, J.S, Hurley, J.
登録日2013-10-15
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.102 Å)
主引用文献Structural and biochemical basis for ubiquitin ligase recruitment by arrestin-related domain-containing protein-3 (ARRDC3).
J.Biol.Chem., 289, 2014
4NAR
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BU of 4nar by Molmil
Crystal Structure of the Q9WYS3 protein from Thermotoga maritima. Northeast Structural Genomics Consortium Target VR152
分子名称: ACETATE ION, Putative uronate isomerase, SULFATE ION
著者Vorobiev, S, Lew, S, Seetharaman, J, Chi, Y, Xiao, R, Maglaqui, M, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2013-10-22
公開日2013-11-06
実験手法X-RAY DIFFRACTION (2.388 Å)
主引用文献Crystal Structure of the Q9WYS3 protein from Thermotoga maritima.
To be Published
4DMB
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BU of 4dmb by Molmil
X-ray structure of human hepatitus C virus NS5A-transactivated protein 2 at the resolution 1.9A, Northeast Structural Genomics Consortium (NESG) Target HR6723
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, HD domain-containing protein 2, ...
著者Kuzin, A, Su, M, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG), Mitochondrial Protein Partnership (MPP)
登録日2012-02-07
公開日2012-04-04
最終更新日2012-04-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Northeast Structural Genomics Consortium Target HR6723
To be Published
4DL6
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BU of 4dl6 by Molmil
Human DNA polymerase eta extending primer immediately after cisplatin crosslink (Pt-GG3).
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, Cisplatin, DNA (5'-D(*TP*AP*GP*TP*GP*TP*GP*CP*C)-3'), ...
著者Zhao, Y, Biertumpfel, C, Gregory, M, Hua, Y, Hanaoka, F, Yang, W.
登録日2012-02-05
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for Chemoresistance to Cisplatin Mediated by DNA Polymerase eta
Proc.Natl.Acad.Sci.USA, 109, 2012
4K36
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BU of 4k36 by Molmil
His6 tagged anSMEcpe with bound AdoMet
分子名称: Anaerobic sulfatase-maturating enzyme, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
著者Goldman, P.J, Drennan, C.L.
登録日2013-04-10
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.619 Å)
主引用文献X-ray structure of an AdoMet radical activase reveals an anaerobic solution for formylglycine posttranslational modification.
Proc.Natl.Acad.Sci.USA, 110, 2013
4DKO
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BU of 4dko by Molmil
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with TS-II-224
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ...
著者Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D.
登録日2012-02-03
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors.
J.Med.Chem., 55, 2012
4DL4
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Human DNA polymerase eta inserting dCMPNPP opposite the 3'G of cisplatin crosslinked Gs (Pt-GG1).
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Cisplatin, DNA (5'-D(*TP*AP*GP*TP*GP*TP*GP*AP*G)-3'), ...
著者Zhao, Y, Biertumpfel, C, Gregory, M, Hua, Y.-J, Hanaoka, F, Yang, W.
登録日2012-02-05
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Chemoresistance to Cisplatin Mediated by DNA Polymerase eta
Proc.Natl.Acad.Sci.USA, 109, 2012
4KEU
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BU of 4keu by Molmil
Crystal structure of SsoPox W263M
分子名称: 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ...
著者Gotthard, G, Hiblot, J, Chabriere, E, Elias, M.
登録日2013-04-26
公開日2013-10-02
最終更新日2013-11-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase SsoPox.
Plos One, 8, 2013
4KN5
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BU of 4kn5 by Molmil
Crystal structure of a putative methylthioadenosine nucleosidase from Weissella paramesenteroides ATCC 33313 (Target NYSGRC-029342 )
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Methylthioadenosine nucleosidase
著者Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-05-08
公開日2013-05-29
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of a putative methylthioadenosine nucleosidase from Weissella paramesenteroides ATCC 33313 (Target NYSGRC-029342)
to be published
4EFC
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BU of 4efc by Molmil
Crystal Structure of Adenylosuccinate Lyase from Trypanosoma Brucei, Tb427tmp.160.5560
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, ...
著者Wernimont, A.K, Loppnau, P, Osman, K.T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Robinson, D.A, Wyatt, P.G, Gilbert, I.H, Fairlamb, A.H, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC)
登録日2012-03-29
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Adenylosuccinate Lyase from Trypanosoma Brucei, Tb427tmp.160.5560
To be Published
4K7Z
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BU of 4k7z by Molmil
Crystal structure of the C136(42)A/C141(47)A double mutant of Tn501 MerA in complex with NADP and Hg2+
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MERCURY (II) ION, ...
著者Dong, A, Falkowaski, M, Malone, M, Miller, S.M, Pai, E.F.
登録日2013-04-17
公開日2013-05-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the C136(42)A/C141(47)A double mutant of Tn501 MerA in complex with NADP and Hg2+
To be Published
4EXG
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BU of 4exg by Molmil
Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors
分子名称: Beta-secretase 1, N-[(2S,3R)-4-{[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide
著者Borkakoti, N, Lindberg, J, Derbyshire, D.
登録日2012-04-30
公開日2012-10-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates.
Bioorg.Med.Chem.Lett., 22, 2012
4EJ6
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BU of 4ej6 by Molmil
Crystal structure of a putative zinc-binding dehydrogenase (Target PSI-012003) from Sinorhizobium meliloti 1021
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Putative zinc-binding dehydrogenase, ...
著者Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-04-06
公開日2012-05-02
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of a putative zinc-binding dehydrogenase from Sinorhizobium meliloti 1021
To be Published
4K5O
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BU of 4k5o by Molmil
Phosphonic Arginine Mimetics as Inhibitors of the M1 Aminopeptidases from Plasmodium falciparum
分子名称: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
著者McGowan, S.
登録日2013-04-15
公開日2013-06-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis and Structure-Activity Relationships of Phosphonic Arginine Mimetics as Inhibitors of the M1 and M17 Aminopeptidases from Plasmodium falciparum.
J.Med.Chem., 56, 2013
4EKA
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BU of 4eka by Molmil
Final Thaumatin Structure for Radiation Damage Experiment at 25 K
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者Warkentin, M, Badeau, R, Hopkins, J.B, Thorne, R.E.
登録日2012-04-09
公開日2012-08-29
最終更新日2013-01-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Spatial distribution of radiation damage to crystalline proteins at 25-300 K.
Acta Crystallogr.,Sect.D, 68, 2012
4KAJ
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BU of 4kaj by Molmil
X-Ray Structure of the complex of Haloalkane dehalogenase HaloTag7 with HALTS, Northeast Structural Genomics Consortium (NESG) Target OR151
分子名称: 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ...
著者Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Crews, C.M, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2013-04-22
公開日2013-06-05
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.948 Å)
主引用文献Northeast Structural Genomics Consortium Target OR151
To be Published
4E83
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BU of 4e83 by Molmil
Crystal structure of human alpha-defensin 5, HD5 (Leu29NLe mutant)
分子名称: CHLORIDE ION, Defensin-5
著者Pazgier, M.
登録日2012-03-19
公開日2012-05-16
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Functional determinants of human enteric {alpha}-defensin HD5: crucial role for hydrophobicity at dimer interface.
J.Biol.Chem., 287, 2012
4EWC
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BU of 4ewc by Molmil
Crystal Structure of the Infectious Salmon Anemia Virus Nucleoprotein
分子名称: Putative nucleoprotein
著者Zheng, W, Tao, Y.J.
登録日2012-04-26
公開日2013-05-08
最終更新日2015-02-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The crystal structure and RNA-binding of an orthomyxovirus nucleoprotein.
Plos Pathog., 9, 2013
4NE3
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BU of 4ne3 by Molmil
Human MHF1-MHF2 complex
分子名称: Centromere protein S, Centromere protein X
著者Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
登録日2013-10-28
公開日2013-12-25
最終更新日2014-02-12
実験手法X-RAY DIFFRACTION (1.8007 Å)
主引用文献The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
4NOF
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BU of 4nof by Molmil
Crystal structure of the second Ig domain from mouse Polymeric Immunoglobulin receptor [PSI-NYSGRC-006220]
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Polymeric immunoglobulin receptor
著者Sampathkumar, P, Kumar, P.R, Ahmed, M, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
登録日2013-11-19
公開日2013-12-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the second Ig domain from mouse Polymeric Immunoglobulin receptor
to be published
4E82
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Crystal structure of monomeric variant of human alpha-defensin 5, HD5 (Glu21EMe mutant)
分子名称: Defensin-5
著者Pazgier, M.
登録日2012-03-19
公開日2012-05-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Functional determinants of human enteric {alpha}-defensin HD5: crucial role for hydrophobicity at dimer interface.
J.Biol.Chem., 287, 2012
4EIS
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Structural basis for substrate targeting and catalysis by fungal polysaccharide monooxygenases (PMO-3)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, PEROXIDE ION, ...
著者Li, X, Beeson, W.T, Phillips, C.M, Marletta, M.A, Cate, J.H.
登録日2012-04-05
公開日2012-05-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structural basis for substrate targeting and catalysis by fungal polysaccharide monooxygenases.
Structure, 20, 2012
4EAL
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BU of 4eal by Molmil
Co-crystal of AMPK core with ATP soaked with AMP
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
著者Chen, L, Wang, J, Zhang, Y.-Y, Yan, S.F, Neumann, D, Schlattner, U, Wang, Z.-X, Wu, J.-W.
登録日2012-03-22
公開日2012-06-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.506 Å)
主引用文献AMP-activated protein kinase undergoes nucleotide-dependent conformational changes
Nat.Struct.Mol.Biol., 19, 2012
4NM1
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Structure of human DNA polymerase beta complexed with a nicked DNA containing a 8BrG-C at N-1 position and G-C at N position
分子名称: 5'-D(*CP*CP*GP*AP*CP*GP*(BGM)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Koag, M.-C, Min, K, Monzingo, A.F, Lee, S.
登録日2013-11-14
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.415 Å)
主引用文献Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014

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