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4PGY
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BU of 4pgy by Molmil
Structure of human DNA polymerase beta complexed with a nicked DNA containing a GT at N-1 position and GC at N position
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Koag, M.C, Lee, S.
登録日2014-05-03
公開日2015-05-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献The spontaneous base substitution mechanisms of human DNA polymerase beta
To Be Published
4PV9
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BU of 4pv9 by Molmil
Crystal Structure of H2Kb-Q600V complex
分子名称: ACETATE ION, Beta-2-microglobulin, GLYCEROL, ...
著者Twist, K.-A, Rossjohn, J, Gras, S.
登録日2014-03-15
公開日2014-04-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional correlates of enhanced antiviral immunity generated by heteroclitic CD8 T cell epitopes.
J.Immunol., 192, 2014
4PEU
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BU of 4peu by Molmil
Structure of the polysaccharide lyase-like protein Cthe_2159 from C. thermocellum, native form with Calcium bound
分子名称: CALCIUM ION, Uncharacterized protein
著者Close, D.W, D'Angelo, S, Bradbury, A.R.M.
登録日2014-04-24
公開日2014-10-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8001 Å)
主引用文献A new family of beta-helix proteins with similarities to the polysaccharide lyases.
Acta Crystallogr.,Sect.D, 70, 2014
4TQM
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BU of 4tqm by Molmil
Structural basis of specific recognition of non-reducing terminal N-acetylglucosamine by an Agrocybe aegerita lection
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lectin 2
著者Hu, Y.L, Ren, X.M, Li, D.F, Jiang, S, Lan, X.Q, Sun, H, Wang, D.C.
登録日2014-06-11
公開日2015-06-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis of Specific Recognition of Non-Reducing Terminal N-Acetylglucosamine by an Agrocybe aegerita Lectin.
Plos One, 10, 2015
4ROM
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BU of 4rom by Molmil
Deoxyhemoglobin in complex with imidazolylacryloyl derivatives
分子名称: 4-{2-chloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Omar, A.M, Mahran, M.A, Ghatge, M.N, Chowdhury, N, Bamane, F.H.A, El-Araby, M.E, Abdulmalik, O, Safo, M.K.
登録日2014-10-28
公開日2015-05-20
最終更新日2015-06-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of a novel class of covalent modifiers of hemoglobin as potential antisickling agents.
Org.Biomol.Chem., 13, 2015
4RJY
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BU of 4rjy by Molmil
Crystal structure of E. coli L-Threonine Aldolase in complex with a non-covalently uncleaved bound L-serine substrate
分子名称: Low specificity L-threonine aldolase, SERINE, SODIUM ION
著者Safo, M.K, Chowdhury, N, Gandhi, A.K.
登録日2014-10-11
公開日2014-10-29
最終更新日2015-02-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis of E. colil-threonine aldolase catalytic inactivation at low pH.
Biochim.Biophys.Acta, 1854, 2015
4Q3O
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BU of 4q3o by Molmil
Crystal structure of MGS-MT1, an alpha/beta hydrolase enzyme from a Lake Matapan deep-sea metagenome library
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ...
著者Stogios, P.J, Xu, X, Cui, H, Alcaide, M, Ferrer, M, Savchenko, A.
登録日2014-04-11
公開日2015-03-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Pressure adaptation is linked to thermal adaptation in salt-saturated marine habitats.
Environ Microbiol, 17, 2015
4QK4
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BU of 4qk4 by Molmil
Crystal structure of human nuclear receptor sf-1 (nr5a1) bound to pip2 at 2.8 a resolution
分子名称: (2S)-3-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate, 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
著者Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
登録日2014-06-05
公開日2014-07-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献The signaling phospholipid PIP3 creates a new interaction surface on the nuclear receptor SF-1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QMS
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BU of 4qms by Molmil
MST3 in complex with DASATINIB
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, ...
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-16
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.883 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
4QMY
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BU of 4qmy by Molmil
MST3 IN COMPLEX WITH STAUROSPORINE
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE 24, ...
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-16
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.883 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
4QML
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BU of 4qml by Molmil
MST3 in complex with AMP-PNP
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-16
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.882 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
4QNA
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BU of 4qna by Molmil
MST3 IN COMPLEX WITH 2-(4,6-Diamino-1,3,5-triazin-2-yl)phenol
分子名称: 2-(4,6-diamino-1,3,5-triazin-2-yl)phenol, SERINE/THREONINE-PROTEIN KINASE 24
著者Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
登録日2014-06-17
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
4R05
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BU of 4r05 by Molmil
Crystal structure of the refolded DENV3 methyltransferase
分子名称: Nonstructural protein NS5
著者Brecher, M.B, Li, Z, Zhang, J, Chen, H, Lin, Q, Liu, B, Li, H.M.
登録日2014-07-29
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Refolding of a fully functional flavivirus methyltransferase revealed that S-adenosyl methionine but not S-adenosyl homocysteine is copurified with flavivirus methyltransferase.
Protein Sci., 24, 2015
4RT2
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BU of 4rt2 by Molmil
Ternary complex crystal structure of DNA polymerase Beta with (alpha,beta)-CH2-(beta,gamma)-NH-dTTP
分子名称: 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]methyl}phosphoryl]-3,4-dihydrothymidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Batra, V.K, Wilson, S.H.
登録日2014-11-12
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Two Scaffolds from Two Flips: (alpha, beta)/(beta, gamma) CH2/NH "Met-Im" Analogues of dTTP.
Org.Lett., 17, 2015
4S2S
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BU of 4s2s by Molmil
Crystal Structure of Fab fragment of monoclonal antibody RoAb13
分子名称: RoAb13 Fab Heavy chain, RoAb13 Fab Light chain
著者Chain, B, Arnold, J, Akthar, S, Noursadeghi, M, Lapp, T, Ji, C, Naider, D, Zhang, Y, Govada, L, Saridakis, E, Chayen, N.E.
登録日2015-01-22
公開日2015-06-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Linear Epitope in the N-Terminal Domain of CCR5 and Its Interaction with Antibody.
Plos One, 10, 2015
4TRR
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BU of 4trr by Molmil
Crystal structure of a putative Putative D-beta-hydroxybutyrate dehydrogenase from Burkholderia cenocepacia J2315
分子名称: 1,2-ETHANEDIOL, Putative D-beta-hydroxybutyrate dehydrogenase, SULFATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-06-17
公開日2014-08-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a putative Putative D-beta-hydroxybutyrate dehydrogenase from Burkholderia cenocepacia J2315
to be published
4RM0
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BU of 4rm0 by Molmil
Crystal structure of Norovirus OIF P domain in complex with Lewis a trisaccharide
分子名称: Capsid protein, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-alpha-D-glucopyranose, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Liu, W, Chen, Y, Tan, M, Xia, M, Li, X, Jiang, X, Rao, Z.
登録日2014-10-18
公開日2015-06-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献A Unique Human Norovirus Lineage with a Distinct HBGA Binding Interface.
Plos Pathog., 11, 2015
4TU5
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BU of 4tu5 by Molmil
Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3S)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1062)
分子名称: 6-ethyl-5-{(3S)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Reeve, S.M, Anderson, A.C.
登録日2014-06-23
公開日2015-07-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.161 Å)
主引用文献Nonracemic Antifolates Stereoselectively Recruit Alternate Cofactors and Overcome Resistance in S. aureus.
J.Am.Chem.Soc., 137, 2015
4QY3
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BU of 4qy3 by Molmil
THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH AN ORTHO-SUBSTITUTED BENZOIC ACID
分子名称: 2-[(S)-benzylsulfinyl]benzoic acid, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ...
著者D'Ambrosio, K, De Simone, G.
登録日2014-07-23
公開日2014-12-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Out of the active site binding pocket for carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 51, 2014
4S0W
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BU of 4s0w by Molmil
Wild type T4 lysozyme structure
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ...
著者Snell, E.H, Snell, M.E.
登録日2015-01-07
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.117 Å)
主引用文献Wild type T4 lysozyme structure
To be Published
4RM4
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BU of 4rm4 by Molmil
The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Zhouw, W.H, Zhang, A.L, Zhang, T, Hall, E.A, Hutchinson, S, Cryle, M.J, Wong, L.-L, Bell, S.G.
登録日2014-10-18
公開日2015-02-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.771 Å)
主引用文献The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis.
Mol Biosyst, 11, 2015
4PFW
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Crystal structure of mannohexaose bound oligopeptide ABC transporter, periplasmic oligopeptide-binding protein (TM1226) from THERMOTOGA MARITIMA at 2.2 A resolution
分子名称: ABC transporter substrate-binding protein, GLYCEROL, MAGNESIUM ION, ...
著者Lu, X, Ghimire-Rijal, S, Cuneo, M.J.
登録日2014-04-30
公開日2014-09-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Duplication of Genes in an ATP-binding Cassette Transport System Increases Dynamic Range While Maintaining Ligand Specificity.
J.Biol.Chem., 289, 2014
4PHP
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BU of 4php by Molmil
Structure of human DNA polymerase beta complexed with T in the template base paired with incoming non-hydrolyzable GTP and MANGANESE
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*CP*GP*AP*CP*TP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ...
著者Koag, M.C, Lee, S.
登録日2014-05-06
公開日2015-05-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The spontaneous base substitution mechanisms of human DNA polymerase beta
To Be Published
4PL5
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BU of 4pl5 by Molmil
Crystal structure of murine IRE1 in complex with OICR573 inhibitor
分子名称: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 3-methoxy-5-methyl-4'-(morpholin-4-yl)biphenyl-4-ol, ADENOSINE-5'-DIPHOSPHATE, ...
著者Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F.
登録日2014-05-16
公開日2014-09-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors.
Nat Commun, 5, 2014
4P8J
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Structure of ribB
分子名称: 3,4-dihydroxy-2-butanone 4-phosphate synthase, GLYCEROL
著者Islam, Z, Kumar, A, Singh, S, Salmon, L, Karthikeyan, S.
登録日2014-03-31
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae.
J.Biol.Chem., 290, 2015

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