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4QIZ
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Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor
分子名称: 1,2-ETHANEDIOL, 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 13, ...
著者Manakova, E, Smirnov, A, Grazulis, S.
登録日2014-06-03
公開日2015-04-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
4QP8
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Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine
分子名称: 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.446 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QJP
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BU of 4qjp by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor
分子名称: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide, CITRIC ACID, ...
著者Manakova, E, Smirnov, A, Grazulis, S.
登録日2014-06-04
公開日2015-04-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
4QNI
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BU of 4qni by Molmil
Crystal structure of an auxiliary nutrient binding protein (BT3507) from Bacteroides thetaiotaomicron VPI-5482 at 2.30 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2014-06-18
公開日2014-08-13
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a hypothetical protein (BT3507) from Bacteroides thetaiotaomicron VPI-5482 at 2.30 A resolution
To be published
4QOA
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Crystal structure of a putative periplasmic protein (BACUNI_04550) from Bacteroides uniformis ATCC 8492 at 2.75 A resolution
分子名称: 1,2-ETHANEDIOL, Putative periplasmic protein
著者Joint Center for Structural Genomics (JCSG)
登録日2014-06-19
公開日2014-07-16
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of a putative periplasmic protein (BACUNI_04550) from Bacteroides uniformis ATCC 8492 at 2.75 A resolution
To be published
4QPV
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Crystal structure of a DUF1672 family protein (SAV1486) from Staphylococcus aureus subsp. aureus Mu50 at 1.80 A resolution
分子名称: Uncharacterized protein
著者Joint Center for Structural Genomics (JCSG)
登録日2014-06-25
公開日2014-08-20
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a hypothetical protein (SAV1486) from Staphylococcus aureus subsp. aureus Mu50 at 1.80 A resolution
To be published
4QSB
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BU of 4qsb by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-{[(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 (1.4 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
4QSI
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Crystal structure of human carbonic anhydrase isozyme II with 5-{[(4-tert-buthyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}-2-chlorobenzenesulfonamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, ...
著者Manakova, E, Smirnov, A, 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 (1.95 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
4QT9
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Crystal structure of a putative glucoamylase (BACCAC_03554) from Bacteroides caccae ATCC 43185 at 2.05 A resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, putative glucoamylase
著者Joint Center for Structural Genomics (JCSG)
登録日2014-07-07
公開日2014-08-06
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of a putative glucoamylase (BACCAC_03554) from Bacteroides caccae ATCC 43185 at 2.05 A resolution
To be published
4QRK
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Crystal structure of a putative cell adhesion protein (CLOSPO_03726) from Clostridium sporogenes ATCC 15579 at 1.95 A resolution
分子名称: ACETATE ION, CALCIUM ION, Hypothetical protein
著者Joint Center for Structural Genomics (JCSG)
登録日2014-07-01
公開日2014-07-23
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of a hypothetical protein (CLOSPO_03726) from Clostridium sporogenes ATCC 15579 at 1.95 A resolution
To be published
4QQV
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BU of 4qqv by Molmil
Extracellular domains of mouse IL-3 beta receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-3 receptor class 2 subunit beta
著者Jackson, C.J, Young, I.G, Murphy, J.M, Carr, P.D, Ewens, C.L, Dai, J, Ollis, D.L.
登録日2014-06-30
公開日2014-09-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Crystal structure of the mouse interleukin-3 beta-receptor: insights into interleukin-3 binding and receptor activation.
Biochem.J., 463, 2014
4QYY
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Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State
分子名称: (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
著者Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A.
登録日2014-07-26
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase.
J.Med.Chem., 57, 2014
4QU7
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BU of 4qu7 by Molmil
Crystal structure of a G-rich RNA sequence binding factor 1 (GRSF1) from Homo sapiens at 2.50 A resolution
分子名称: G-rich sequence factor 1, RNA 5'-(*AP*GP*GP*GP*AP*UP)-3'
著者Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
登録日2014-07-10
公開日2014-08-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a G-rich RNA sequence binding factor 1 (GRSF1) from Homo sapiens at 2.50 A resolution
To be published
4RLP
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BU of 4rlp by Molmil
Human p70s6k1 with ruthenium-based inhibitor FL772
分子名称: CHLORIDE ION, [(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(N-methyl-1,4,7-trithiecan-9-amine-kappa~3~S~1~,S~4~,S~7~)ruthenium, p70S6K1
著者Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R.
登録日2014-10-17
公開日2015-01-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Development of Organometallic S6K1 Inhibitors.
J.Med.Chem., 58, 2015
4RM9
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BU of 4rm9 by Molmil
Crystal structure of human ezrin in space group C2221
分子名称: Ezrin
著者Phang, J.M, Harrop, S.J, Davies, R, Duff, A.P, Wilk, K.E, Curmi, P.M.G.
登録日2014-10-21
公開日2015-12-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural characterization suggests models for monomeric and dimeric forms of full-length ezrin.
Biochem. J., 473, 2016
4RV1
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BU of 4rv1 by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium (NESG) Target OR497.
分子名称: ACETATE ION, Engineered Protein OR497
著者Vorobiev, S, Parmeggiani, F, Seetharaman, J, Xiao, R, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2014-11-24
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.573 Å)
主引用文献Crystal Structure of Engineered Protein OR497.
To be Published
4RDU
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BU of 4rdu by Molmil
Crystal structure of a distal-less homeobox protein 5 (Dlx5) from Homo sapiens at 1.85 A resolution
分子名称: (DC)(DG)(DA)(DC)(DT)(DA)(DA)(DT)(DT)(DA)(DG)(DT)(DC)(DG), Homeobox protein DLX-5
著者Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
登録日2014-09-19
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of a distal-less homeobox protein 5 (Dlx5) from Homo sapiens at 1.85 A resolution
To be published
4R4G
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BU of 4r4g by Molmil
Crystal structure of a putative lipoprotein (ycdA) from Bacillus subtilis subsp. subtilis str. 168 at 2.62 A resolution
分子名称: TETRAETHYLENE GLYCOL, putative lipoprotein YcdA
著者Joint Center for Structural Genomics (JCSG)
登録日2014-08-19
公開日2014-09-17
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Crystal structure of a putative lipoprotein (ycdA) from Bacillus subtilis subsp. subtilis str. 168 at 2.62 A resolution
To be published
4R4P
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Crystal Structure of the VS ribozyme-A756G mutant
分子名称: MAGNESIUM ION, VS ribozyme RNA
著者Piccirilli, J.A, Suslov, N.B, Dasgupta, S, Huang, H, Lilley, D.M.J, Rice, P.A.
登録日2014-08-19
公開日2015-09-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Crystal structure of the Varkud satellite ribozyme.
Nat.Chem.Biol., 11, 2015
4R8O
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BU of 4r8o by Molmil
Crystal structure of a DUF3836 family protein (BVU_1206) from Bacteroides vulgatus ATCC 8482 at 2.50 A resolution
分子名称: Uncharacterized protein
著者Joint Center for Structural Genomics (JCSG)
登録日2014-09-02
公開日2014-09-17
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of single-layer beta-sheet proteins evolved from beta-hairpin repeats.
Protein Sci., 28, 2019
4R0K
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BU of 4r0k by Molmil
Crystal structure of a putative dipeptidyl-peptidase VI (BT_1314) from Bacteroides thetaiotaomicron VPI-5482 at 1.75 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Dipeptidyl-peptidase VI, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2014-07-31
公開日2014-08-20
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of a putative dipeptidyl-peptidase VI (BT_1314) from Bacteroides thetaiotaomicron VPI-5482 at 1.75 A resolution
To be published
3PUF
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BU of 3puf by Molmil
Crystal structure of human RNase H2 complex
分子名称: Ribonuclease H2 subunit A, Ribonuclease H2 subunit B, Ribonuclease H2 subunit C
著者Figiel, M, Chon, H, Cerritelli, S.M, Cybulska, M, Crouch, R.J, Nowotny, M.
登録日2010-12-04
公開日2010-12-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The structural and biochemical characterization of human RNase H2 complex reveals the molecular basis for substrate recognition and Aicardi-Goutieres syndrome defects.
J.Biol.Chem., 286, 2011
4QZV
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Bat-derived coronavirus HKU4 uses MERS-CoV receptor human CD26 for cell entry
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
著者Gao, F.G, Wang, Q.H, Qi, J.X, Lu, G.W.
登録日2014-07-29
公開日2014-10-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.592 Å)
主引用文献Bat Origins of MERS-CoV Supported by Bat Coronavirus HKU4 Usage of Human Receptor CD26.
Cell Host Microbe, 16, 2014
4R03
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BU of 4r03 by Molmil
Crystal structure of a DUF3836 family protein (BDI_3222) from Parabacteroides distasonis ATCC 8503 at 1.50 A resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CITRIC ACID, PHOSPHATE ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2014-07-29
公開日2014-08-27
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structures of single-layer beta-sheet proteins evolved from beta-hairpin repeats.
Protein Sci., 28, 2019
4R1L
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Crystal structure of a Putative Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.42 A resolution
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2014-08-06
公開日2014-08-27
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal structure of a Hypothetical Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.42 A resolution
To be published

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件を2024-08-21に公開中

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