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PDB: 2664 件

6FYZ
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Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor
分子名称: (2~{S})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{N}-oxidanyl-ethanamide, Histone deacetylase 4, SODIUM ION, ...
著者Luckhurst, C.A, Maillard, M.C, Dominguez, C.
登録日2018-03-13
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor.
Bioorg. Med. Chem. Lett., 29, 2019
2X9F
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ephB4 kinase domain inhibitor complex
分子名称: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N^4^-1H-INDAZOL-4-YL-N^2^-[3-(METHYLSULFONYL)PHENYL]PYRIMIDINE-2,4-DIAMINE
著者Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D.
登録日2010-03-17
公開日2010-09-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Inhibitors of the Tyrosine Kinase Ephb4. Part 3: Identification of Non-Benzodioxole-Based Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
4RLR
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Structure of monoheme cytochrome PccH from Geobacter sulfurreducens
分子名称: ACETATE ION, CACODYLATE ION, Cytochrome c, ...
著者Pokkuluri, P.R, Salgueiro, C.A.
登録日2014-10-17
公開日2015-04-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献The structure of PccH from Geobacter sulfurreducens - a novel low reduction potential monoheme cytochrome essential for accepting electrons from an electrode.
Febs J., 282, 2015
7ZQP
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Tail tip of siphophage T5 : open cone after interaction with bacterial receptor FhuA
分子名称: Probable baseplate hub protein, Probable tape measure protein
著者Linares, R, Arnaud, C.A, Effantin, G, Darnault, C, Epalle, N, Boeri Erba, E, Schoehn, G, Breyton, C.
登録日2022-05-02
公開日2023-02-08
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis of bacteriophage T5 infection trigger and E. coli cell wall perforation.
Sci Adv, 9, 2023
7ZHJ
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Tail tip of siphophage T5 : tip proteins
分子名称: Distal tail protein, L-shaped tail fiber protein p132, Minor tail protein, ...
著者Linares, R, Arnaud, C.A, Effantin, G, Darnault, C, Epalle, N, Boeri Erba, E, Schoehn, G, Breyton, C.
登録日2022-04-06
公開日2023-02-08
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Structural basis of bacteriophage T5 infection trigger and E. coli cell wall perforation.
Sci Adv, 9, 2023
7ZN2
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Tail tip of siphophage T5 : full complex after interaction with its bacterial receptor FhuA
分子名称: Distal tail protein, L-shaped tail fiber protein p132, Minor tail protein, ...
著者Linares, R, Arnaud, C.A, Effantin, G, Darnault, C, Epalle, N, Boeri Erba, E, Schoehn, G, Breyton, C.
登録日2022-04-20
公開日2023-02-08
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (4.29 Å)
主引用文献Structural basis of bacteriophage T5 infection trigger and E. coli cell wall perforation.
Sci Adv, 9, 2023
4TNH
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RT XFEL structure of Photosystem II in the dark state at 4.9 A resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
登録日2014-06-04
公開日2014-07-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (4.900007 Å)
主引用文献Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
6G0N
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Crystal Structure of a GH8 catalytic mutant xylohexaose complex xylanase from Teredinibacter turnerae
分子名称: GLYCEROL, Glycoside hydrolase family 8 domain protein, beta-D-xylopyranose, ...
著者Fowler, C.A, Davies, G.J, Walton, P.H.
登録日2018-03-19
公開日2018-10-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and function of a glycoside hydrolase family 8 endoxylanase from Teredinibacter turnerae.
Acta Crystallogr D Struct Biol, 74, 2018
6G81
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Solution structure of the Ni metallochaperone HypA from Helicobacter pylori
分子名称: Hydrogenase maturation factor HypA, ZINC ION
著者Spronk, C.A.E.M, Zerko, S, Gorka, M, Kozminski, W, Bardiaux, B, Zambelli, B, Musiani, F, Piccioli, M, Hu, H, Maroney, M, Ciurli, S.
登録日2018-04-07
公開日2018-10-10
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structure and dynamics of Helicobacter pylori nickel-chaperone HypA: an integrated approach using NMR spectroscopy, functional assays and computational tools.
J. Biol. Inorg. Chem., 23, 2018
4TNL
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BU of 4tnl by Molmil
1.8 A resolution room temperature structure of Thermolysin recorded using an XFEL
分子名称: CALCIUM ION, Thermolysin, ZINC ION
著者Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
登録日2014-06-04
公開日2014-07-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
6GIZ
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BU of 6giz by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - SUBSTRATE COMPLEX
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
登録日2018-05-15
公開日2019-11-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
4TKT
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Streptomyces platensis isomigrastatin ketosynthase domain MgsF KS6
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, AT-less polyketide synthase, CHLORIDE ION, ...
著者Chang, C, Li, H, Endres, M, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2014-05-27
公開日2014-06-11
最終更新日2023-03-22
実験手法X-RAY DIFFRACTION (2.4289 Å)
主引用文献Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
6GJ2
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BU of 6gj2 by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - COMPLEX WITH INOSITOL HEXASULPHATE
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
登録日2018-05-15
公開日2019-11-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
4TSS
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BU of 4tss by Molmil
TOXIC SHOCK SYNDROME TOXIN-1: TETRAGONAL P4(1)2(1)2 CRYSTAL FORM
分子名称: TOXIC SHOCK SYNDROME TOXIN-1, ZINC ION
著者Prasad, G.S, Radhakrishnan, R, Mitchell, D.T, Earhart, C.A, Dinges, M.M, Cook, W.J, Schlivert, P.M, Ohlendorf, D.H.
登録日1996-12-11
公開日1997-12-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Refined structures of three crystal forms of toxic shock syndrome toxin-1 and of a tetramutant with reduced activity.
Protein Sci., 6, 1997
6GO3
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TdT chimera (Loop1 of pol mu) - apoenzyme
分子名称: DNA nucleotidylexotransferase,DNA-directed DNA/RNA polymerase mu,DNA nucleotidylexotransferase
著者Loc'h, J, Gerodimos, C.A, Rosario, S, Lieber, M.R, Delarue, M.
登録日2018-06-01
公開日2019-06-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural evidence for an intransbase selection mechanism involving Loop1 in polymerase mu at an NHEJ double-strand break junction.
J.Biol.Chem., 294, 2019
6GO4
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BU of 6go4 by Molmil
TdT chimera (Loop1 of pol mu) - binary complex with ddCTP
分子名称: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA nucleotidylexotransferase,DNA-directed DNA/RNA polymerase mu,DNA nucleotidylexotransferase, MAGNESIUM ION, ...
著者Loc'h, J, Gerodimos, C.A, Rosario, S, Lieber, M.R, Delarue, M.
登録日2018-06-01
公開日2019-06-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural evidence for an intransbase selection mechanism involving Loop1 in polymerase mu at an NHEJ double-strand break junction.
J.Biol.Chem., 294, 2019
6GJ9
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BU of 6gj9 by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - REGENERATION COMPLEX
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
登録日2018-05-16
公開日2019-11-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of a cereal purple acid phytase provides insights to phytate degradation in plants
To Be Published
4TWK
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Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Octyl Glucose Neopentyl Glycol, ...
著者Pike, A.C.W, Dong, Y.Y, Tessitore, A, Goubin, S, Strain-Damerell, C, Mukhopadhyay, S, Kupinska, K, Wang, D, Chalk, R, Berridge, G, Grieben, M, Shrestha, L, Ang, J.H, Mackenzie, A, Quigley, A, Bushell, S.R, Shintre, C.A, Faust, B, Chu, A, Dong, L, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P.
登録日2014-06-30
公開日2014-08-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1)
To Be Published
6GIT
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BU of 6git by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - PRODUCT COMPLEX
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
登録日2018-05-15
公開日2019-11-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.418 Å)
主引用文献Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
6GFG
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BU of 6gfg by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with D-chiro-IP6 and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, D-chiro inositol hexakisphosphate, Inositol-pentakisphosphate 2-kinase, ...
著者Whitfield, H.L, Brearley, C.A, Hemmings, A.M.
登録日2018-04-30
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
4U2B
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BU of 4u2b by Molmil
Crystal structure of dienelactone hydrolase (C123S) at 1.70 A resolution
分子名称: Carboxymethylenebutenolidase, SULFATE ION
著者Porter, J.L, Collyer, C.A, Ollis, D.L.
登録日2014-07-16
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
4U2E
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BU of 4u2e by Molmil
Crystal structure of dienelactone hydrolase S-3 variant (Q35H, F38L, Q110L, C123S, Y137C, Y145C, N154D, E199G, S208G, G211D and K234N) at 1.70 A resolution
分子名称: Carboxymethylenebutenolidase, SULFATE ION
著者Porter, J.L, Collyer, C.A, Ollis, D.L.
登録日2014-07-16
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
4U2F
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BU of 4u2f by Molmil
Crystal structure of dienelactone hydrolase B-1 variant (Q35H, F38L, Y64H, Q110L, C123S, Y137C, Y145C, N154D, E199G, S208G and G211D) at 1.80 A resolution
分子名称: Carboxymethylenebutenolidase, SULFATE ION
著者Porter, J.L, Collyer, C.A, Ollis, D.L.
登録日2014-07-16
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
8AAT
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BU of 8aat by Molmil
X-RAY STRUCTURE REFINEMENT AND COMPARISON OF THREE FORMS OF MITOCHONDRIAL ASPARTATE AMINOTRANSFERASE
分子名称: ASPARTATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
著者Mcphalen, C.A, Vincent, M.G, Jansonius, J.N.
登録日1991-12-02
公開日1993-10-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray structure refinement and comparison of three forms of mitochondrial aspartate aminotransferase.
J.Mol.Biol., 225, 1992
6GO7
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BU of 6go7 by Molmil
TdT chimera (Loop1 of pol mu) - full DNA synapsis complex
分子名称: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*AP*AP*C)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*GP*C)-3'), ...
著者Loc'h, J, Gerodimos, C.A, Rosario, S, Lieber, M.R, Delarue, M.
登録日2018-06-01
公開日2019-06-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural evidence for an intransbase selection mechanism involving Loop1 in polymerase mu at an NHEJ double-strand break junction.
J.Biol.Chem., 294, 2019

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