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4R53
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dihydrodipicolinate synthase from C. jejuni with vacant active site and vacant allosteric site
分子名称: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, CHLORIDE ION, ...
著者Conly, C.J.T.
登録日2014-08-20
公開日2015-10-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Tyrosine 110 plays a critical role in regulating the allosteric inhibition of Campylobacter jejuni dihydrodipicolinate synthase by lysine.
Biochemistry, 53, 2014
4R2U
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Crystal Structure of PPARgamma in complex with SR1664
分子名称: 4'-[(2,3-dimethyl-5-{[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma
著者Marciano, D.P, Kamenecka, T, Griffin, P.R, Bruning, J.B.
登録日2014-08-13
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Pharmacological repression of PPAR gamma promotes osteogenesis.
Nat Commun, 6, 2015
4RBT
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PduA K26A S40L mutant, from Salmonella enterica serovar Typhimurium LT2
分子名称: Propanediol utilization protein PduA, SULFATE ION
著者Chun, S, Sawaya, M.R, Yeates, T.O.
登録日2014-09-12
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Selective molecular transport through the protein shell of a bacterial microcompartment organelle.
Proc.Natl.Acad.Sci.USA, 112, 2015
4RCG
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Crystal Structure Analysis of MTB PEPCK without Mn+2
分子名称: DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Brynda, J, Dostal, J, Snasel, J, Fanfrlik, J, Pichova, I, Machova, I.
登録日2014-09-16
公開日2015-04-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and Functional Studies of Phosphoenolpyruvate Carboxykinase from Mycobacterium tuberculosis.
Plos One, 10, 2015
4RCJ
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Crystal structure of YTHDF1 YTH domain in complex with 5mer m6A RNA
分子名称: RNA (5'-R(*GP*GP*(6MZ)P*CP*U)-3'), UNKNOWN ATOM OR ION, YTH domain-containing family protein 1
著者Tempel, W, Xu, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-09-16
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Basis for the Discriminative Recognition of N6-Methyladenosine RNA by the Human YT521-B Homology Domain Family of Proteins.
J.Biol.Chem., 290, 2015
4RF3
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Crystal Structure of ketoreductase from Lactobacillus kefir, mutant A94F
分子名称: GLYCEROL, MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase
著者Tang, Y, Tibrewal, N, Cascio, D.
登録日2014-09-24
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.694 Å)
主引用文献Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4QRG
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BU of 4qrg by Molmil
Crystal structure of I86L mutant of papain
分子名称: CHLORIDE ION, Papain, SODIUM ION
著者Dutta, S, Choudhury, D, Roy, S, Biswas, S.
登録日2014-07-01
公開日2015-08-05
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献Pro-peptide regulates the substrate specificity and zymogen activation process of papain: A structural and mechanistic insight
To be Published
4QRV
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Crystal structure of I86F mutant of papain
分子名称: CHLORIDE ION, Papain, SODIUM ION
著者Dutta, S, Choudhury, D, Roy, S.
登録日2014-07-02
公開日2015-08-12
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.978 Å)
主引用文献Pro-peptide regulates the substrate specificity and zymogen activation process of papain: A structural and mechanistic insight
to be published
4QTL
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Crystal structure of human carbonic anhydrase isozyme II with inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-07-08
公開日2015-04-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
4R8Z
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BU of 4r8z by Molmil
Crystal Structure of PA4781 HD-GYP domain from Pseudomonas aeruginosa at 2.2A resolution showing a bi-metallic Ni ion center
分子名称: CHLORIDE ION, Cyclic di-GMP phosphodiesterase, NICKEL (II) ION
著者Giardina, G, Cutruzzolaa, F, Rinaldo, S, Stelitano, V.
登録日2014-09-03
公開日2015-03-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of functional diversification of the HD-GYP domain revealed by the Pseudomonas aeruginosa PA4781 protein, which displays an unselective bimetallic binding site.
J.Bacteriol., 197, 2015
4RDR
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BU of 4rdr by Molmil
Structure of the bacterial Zn-transporter ZnuD from Neisseria meningitidis (locked conformation bound to zinc and cadmium ions)
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, CADMIUM ION, ...
著者Calmettes, C, Moraes, T.F.
登録日2014-09-19
公開日2015-08-19
最終更新日2015-09-16
実験手法X-RAY DIFFRACTION (2.472 Å)
主引用文献The molecular mechanism of Zinc acquisition by the neisserial outer-membrane transporter ZnuD.
Nat Commun, 6, 2015
4R0P
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BU of 4r0p by Molmil
Ifqins, an amyloid forming segment from human lysozyme spanning residues 56-61
分子名称: Lysozyme C
著者Sievers, S, Eisenberg, D.S, Sawaya, M.R.
登録日2014-08-01
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structure-based design of functional amyloid materials.
J.Am.Chem.Soc., 136, 2014
4R0R
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BU of 4r0r by Molmil
Ebolavirus GP Prehairpin Intermediate Mimic
分子名称: eboIZN21
著者Clinton, T.R, Weinstock, M.T, Jacobsen, M.T, Szabo-Fresnais, N, Pandya, M.J, Whitby, F.G, Herbert, A.S, Prugar, L.I, McKinnon, R, Hill, C.P, Welch, B.D, Dye, J.M, Eckert, D.M, Kay, M.S.
登録日2014-08-01
公開日2014-10-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Design and characterization of ebolavirus GP prehairpin intermediate mimics as drug targets.
Protein Sci., 24, 2015
4R11
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BU of 4r11 by Molmil
A conserved phosphorylation switch controls the interaction between cadherin and beta-catenin in vitro and in vivo
分子名称: Cadherin-related hmr-1, IODIDE ION, Protein humpback-2
著者Choi, H.-J, Loveless, T, Lynch, A, Bang, I, Hardin, J, Weis, W.I.
登録日2014-08-03
公開日2015-04-29
実験手法X-RAY DIFFRACTION (2.789 Å)
主引用文献A Conserved Phosphorylation Switch Controls the Interaction between Cadherin and beta-Catenin In Vitro and In Vivo
Dev.Cell, 33, 2015
4RGB
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BU of 4rgb by Molmil
Crystal structure of a putative carveol dehydrogenase from Mycobacterium avium bound to NAD
分子名称: Carveol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-09-29
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
4QRU
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BU of 4qru by Molmil
Crystal Structure of HLA B*0801 in complex with ELR_MYM, ELRRKMMYM
分子名称: 55 kDa immediate-early protein 1, ACETATE ION, Beta-2-microglobulin, ...
著者Gras, S, Twist, K.-A, Rossjohn, J.
登録日2014-07-02
公開日2015-02-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular imprint of exposure to naturally occurring genetic variants of human cytomegalovirus on the T cell repertoire.
Sci Rep, 4, 2014
4QSJ
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BU of 4qsj by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide
分子名称: 1,2-ETHANEDIOL, 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, CITRIC ACID, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-07-04
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014
4RF5
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BU of 4rf5 by Molmil
Crystal structure of ketoreductase from Lactobacillus kefir, E145S mutant
分子名称: GLYCEROL, MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase
著者Tang, Y, Tibrewal, N, Cascio, D.
登録日2014-09-24
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.596 Å)
主引用文献Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4RFQ
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BU of 4rfq by Molmil
Human Methyltransferase-Like 18
分子名称: Histidine protein methyltransferase 1 homolog, S-ADENOSYLMETHIONINE, UNKNOWN ATOM OR ION
著者Tempel, W, Ravichandran, M, Li, Y, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Hong, B.S, Structural Genomics Consortium (SGC)
登録日2014-09-26
公開日2014-10-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human Methyltransferase-Like 18
TO BE PUBLISHED
4QQ7
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Crystal Structure of Putative stringent starvation protein A from Burkholderia cenocepacia with bound glutathione
分子名称: D-glucose, GLUTATHIONE, Putative stringent starvation protein A
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-06-26
公開日2014-07-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of Putative stringent starvation protein A from Burkholderia cenocepacia with bound glutathione
TO BE PUBLISHED
4QR3
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Brd4 Bromodomain 1 complex with its novel inhibitors
分子名称: Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
著者Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
登録日2014-06-30
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.374 Å)
主引用文献Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
4R22
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TnrA-DNA complex
分子名称: DNA (5'-D(*CP*GP*TP*GP*TP*AP*AP*GP*GP*AP*AP*TP*TP*CP*TP*GP*AP*CP*AP*CP*G)-3'), HTH-type transcriptional regulator TnrA
著者Schumacher, M.A.
登録日2014-08-08
公開日2015-03-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of regulatory machinery reveal novel molecular mechanisms controlling B. subtilis nitrogen homeostasis.
Genes Dev., 29, 2015
4QRX
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BU of 4qrx by Molmil
Crystal structure of pro-papain mutant at pH 4.0
分子名称: pro-papain
著者Dutta, S, Choudhury, D, Roy, S, Biswas, S.
登録日2014-07-02
公開日2015-08-05
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3.138 Å)
主引用文献Pro-peptide regulates the substrate specificity and zymogen activation process of papain: A structural and mechanistic insight
to be published
4QQG
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BU of 4qqg by Molmil
Crystal structure of an N-terminal HTATIP fragment
分子名称: Histone acetyltransferase KAT5, UNKNOWN ATOM OR ION
著者Liu, Y, Tempel, W, Wernimont, A.K, Dobrovetsky, E, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-06-27
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and histone binding studies of the chromo barrel domain of TIP60.
FEBS Lett., 592, 2018
4QSA
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BU of 4qsa by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-07-03
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014

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件を2024-08-07に公開中

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