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All PDB entries with X-ray structure factor data
4XU6
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Crystal structure of cross-linked MvINS R77C trimer at 1.9A resolution
Descriptor: N-TRIDECANOIC ACID, Uncharacterized protein, octyl beta-D-glucopyranoside
Authors:Ren, R.B, Wu, J.P, Yan, C.Y, He, Y, Yan, N.
Deposit date:2015-01-25
Release date:2015-10-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:PROTEIN STRUCTURE. Crystal structure of a mycobacterial Insig homolog provides insight into how these sensors monitor sterol levels
Science, 349, 2015
4XUA
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Crystal Structure of the bromodomain of human BAZ2B in complex with E11919 BAZ2-ICR analogue
Descriptor: 1,2-ETHANEDIOL, 4-{1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}benzonitrile, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-01-25
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure Enabled Design of BAZ2-ICR, A Chemical Probe Targeting the Bromodomains of BAZ2A and BAZ2B.
J.Med.Chem., 58, 2015
4XUB
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Crystal Structure of the bromodomain of human BAZ2B in complex with BAZ2-ICR chemical probe
Descriptor: 1,2-ETHANEDIOL, 4-{4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-1H-imidazol-5-yl}benzonitrile, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-01-25
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure Enabled Design of BAZ2-ICR, A Chemical Probe Targeting the Bromodomains of BAZ2A and BAZ2B.
J.Med.Chem., 58, 2015
4XUC
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Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd18 (1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one)
Descriptor: 1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, ...
Authors:Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M.
Deposit date:2015-01-25
Release date:2015-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
4XUD
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Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd32 ([1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M.
Deposit date:2015-01-25
Release date:2015-04-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
4XUE
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BU of 4xue by Molmil
Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd27b
Descriptor: 2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M.
Deposit date:2015-01-25
Release date:2015-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
4XUF
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BU of 4xuf by Molmil
Crystal structure of the FLT3 kinase domain bound to the inhibitor quizartinib (AC220)
Descriptor: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea, Receptor-type tyrosine-protein kinase FLT3
Authors:Zorn, J.A, Wang, Q, Fujimura, E, Barros, T, Kuriyan, J.
Deposit date:2015-01-25
Release date:2015-04-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structure of the FLT3 Kinase Domain Bound to the Inhibitor Quizartinib (AC220).
Plos One, 10, 2015
4XUG
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BU of 4xug by Molmil
Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) inhibitor in the alpha site and ammonium ion in the metal coordination site.
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, AMMONIUM ION, ...
Authors:Hilario, E, Caulkins, B.G, Young, R.P, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2015-01-25
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) inhibitor in the alpha site and ammonium ion in the metal coordination site.
To Be Published
4XUH
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BU of 4xuh by Molmil
PPARgamma ligand binding domain in complex with sulindac sulfide
Descriptor: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Puhl, A.C, Polikaporv, I, Webb, P.
Deposit date:2015-01-25
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Mechanisms of peroxisome proliferator activated receptor gamma regulation by non-steroidal anti-inflammatory drugs.
Nucl Recept Signal, 13, 2015
4XUI
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BU of 4xui by Molmil
Crystal structure analysis of cruzain bound to the no-covalent analog of WRR-483 (WRR-669)
Descriptor: 1,2-ETHANEDIOL, Cruzipain, N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(pyrimidin-2-ylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide
Authors:Tochowicz, A, McKerrow, J.H.
Deposit date:2015-01-26
Release date:2015-03-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.508 Å)
Cite:Synthesis and Evaluation of Oxyguanidine Analogues of the Cysteine Protease Inhibitor WRR-483 against Cruzain.
Acs Med.Chem.Lett., 7, 2016
4XUJ
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BU of 4xuj by Molmil
Nucleosome core particle containing adducts from treatment with a thiomorpholine-substituted [(eta-6-p-cymene)Ru(3-hydroxy-2-pyridone)Cl] compound
Descriptor: DNA (145-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Adhireksan, Z, Davey, C.A.
Deposit date:2015-01-26
Release date:2016-01-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Contrasting Cytotoxicity and Reactivity of RuII-Arene Complexes of Morpholine vs Thiomorpholine Substituted 3-Hydroxy-2-pyridone Ligands
To Be Published
4XUK
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BU of 4xuk by Molmil
Crystal structure of hydrolase AbOPH in beta lactamase superfamily
Descriptor: Putative hydrolase, ZINC ION
Authors:Chen, J, Xu, J.H, Zhou, J.H.
Deposit date:2015-01-26
Release date:2015-10-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Marked enhancement of Acinetobacter sp. organophosphorus hydrolase activity by a single residue substitution Ile211Ala
Bioresour Bioprocess, 2015
4XUL
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BU of 4xul by Molmil
Crystal structure of M. chilensis Mg662 protein complexed with GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SODIUM ION, ...
Authors:Lartigue, A, Priet, S, Claverie, J.M, Abergel, C.
Deposit date:2015-01-26
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure of M. chilensis Mg662 protein complexed with GTP
To Be Published
4XUM
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BU of 4xum by Molmil
PPARgamma ligand binding domain in complex with indomethacin
Descriptor: INDOMETHACIN, Peroxisome proliferator-activated receptor gamma
Authors:Puhl, A.C, Webb, P, Polikarpov, I.
Deposit date:2015-01-26
Release date:2015-11-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanisms of peroxisome proliferator activated receptor gamma regulation by non-steroidal anti-inflammatory drugs.
Nucl Recept Signal, 13, 2015
4XUN
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BU of 4xun by Molmil
Structure of the CBM22-2 xylan-binding domain from Paenibacillus barcinonensis Xyn10C
Descriptor: CALCIUM ION, Endo-1,4-beta-xylanase C
Authors:Sainz-Polo, M.A, Sanz-Aparicio, J.
Deposit date:2015-01-26
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
4XUO
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BU of 4xuo by Molmil
Structure of the CBM22-1 xylan-binding domain from Paenibacillus barcinonensis Xyn10C
Descriptor: CALCIUM ION, Endo-1,4-beta-xylanase C
Authors:Sainz-Polo, M.A, Sanz-Aparicio, J.
Deposit date:2015-01-26
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
4XUP
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BU of 4xup by Molmil
Structure of the N-terminal CBM22-1-CBM22-2 tandem domain from Paenibacillus barcinonensis Xyn10C
Descriptor: CALCIUM ION, Endo-1,4-beta-xylanase C, GLYCEROL
Authors:Sainz-Polo, M.A, Sanz-Aparicio, J.
Deposit date:2015-01-26
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
4XUQ
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BU of 4xuq by Molmil
Structure of the CBM22-2 xylan-binding domain from Paenibacillus barcinonensis Xyn10C in complex with xylotriose
Descriptor: CALCIUM ION, Endo-1,4-beta-xylanase C, beta-D-xylopyranose, ...
Authors:Sainz-Polo, M.A, Sanz-Aparicio, J.
Deposit date:2015-01-26
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
4XUR
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BU of 4xur by Molmil
Structure of the CBM22-2 xylan-binding domain from Paenibacillus barcinonensis Xyn10C in complex with xylotetraose
Descriptor: CALCIUM ION, Endo-1,4-beta-xylanase C, beta-D-xylopyranose, ...
Authors:Sainz-Polo, M.A, Sanz-Aparicio, J.
Deposit date:2015-01-26
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
4XUS
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BU of 4xus by Molmil
Crystal structure of the pre-catalytic ternary complex of DNA polymerase lambda with a templating A and an incoming dTTP
Descriptor: 2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*A)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Burak, M.J, Guja, K.E, Garcia-Diaz, M.
Deposit date:2015-01-26
Release date:2016-02-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Nucleotide binding interactions modulate dNTP selectivity and facilitate 8-oxo-dGTP incorporation by DNA polymerase lambda.
Nucleic Acids Res., 43, 2015
4XUT
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BU of 4xut by Molmil
Structure of the CBM22-2 xylan-binding domain in complex with 1,3:1,4 Beta-glucotetraose B from Paenibacillus barcinonensis Xyn10C
Descriptor: CALCIUM ION, Endo-1,4-beta-xylanase C, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Sainz-Polo, M.A, Sanz-Aparicio, J.
Deposit date:2015-01-26
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
4XUU
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BU of 4xuu by Molmil
The hSac2 domain from human phosphoinositide phosphatase Sac2
Descriptor: Phosphatidylinositide phosphatase SAC2
Authors:Hsu, F, Mao, Y.
Deposit date:2015-01-26
Release date:2015-02-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structure of the hSac2 domain at 2.62
To Be Published
4XUV
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BU of 4xuv by Molmil
Crystal structure of a glycoside hydrolase family 105 (GH105) enzyme from Thielavia terrestris
Descriptor: GLYCEROL, Glycoside hydrolase family 105 protein
Authors:Stogios, P.J, Xu, X, Cui, H, Yim, V, Savchenko, A.
Deposit date:2015-01-26
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.0496 Å)
Cite:Crystal structure of a glycoside hydrolase family 105 (GH105) enzyme from Thielavia terrestris
To Be Published
4XUW
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BU of 4xuw by Molmil
Structure of the hazelnut allergen, Cor a 8
Descriptor: Non-specific lipid-transfer protein, PHOSPHATE ION
Authors:Offermann, L.R, Perdue, M.L, Bublin, M, Pfeifer, S, Dubiela, P, Hoffmann-Sommergruber, K, Chruszcz, M.
Deposit date:2015-01-26
Release date:2015-10-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural and Functional Characterization of the Hazelnut Allergen Cor a 8.
J.Agric.Food Chem., 63, 2015
4XUX
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BU of 4xux by Molmil
Structure of ampC bound to RPX-7009 at 1.75 A
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Beta-lactamase, ...
Authors:Clifton, M.C, Abendroth, J.
Deposit date:2015-01-26
Release date:2015-04-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of a Cyclic Boronic Acid beta-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases.
J.Med.Chem., 58, 2015

239149

数据于2025-07-23公开中

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