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PDB: 12487 件

3UUO
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The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10 inhibitors for the treatment of Schizophrenia
分子名称: 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, PHOSPHATE ION, ...
著者Ho, G.D, Yang, S, Smotryski, J, Bercovici, A, Nechuta, T, Smith, E.M, McElroy, W, Tan, Z, Tulshian, D, Mckittrick, B, Greenlee, W.J, Hruza, A, Xiao, L, Rindgen, D, Guzzi, M, Zhang, X, Bleickardt, C, Mullins, D, Hodgson, R.
登録日2011-11-28
公開日2012-01-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献The discovery of potent, selective, and orally active pyrazoloquinolines as PDE10A inhibitors for the treatment of Schizophrenia.
Bioorg.Med.Chem.Lett., 22, 2012
3V0R
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Crystal structure of Alternaria alternata allergen Alt a 1
分子名称: 2,5,6-triaminopyrimidin-4-ol, 8-aminooctanoic acid, Major allergen Alt a 1, ...
著者Chruszcz, M, Solberg, R, Osinski, T, Chapman, M.D, Minor, W.
登録日2011-12-08
公開日2012-06-13
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Alternaria alternata allergen Alt a 1: a unique beta-barrel protein dimer found exclusively in fungi.
J.Allergy Clin.Immunol., 130, 2012
3UW8
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Crystal Structure Analysis of the Ser305Thr Variants of KatG from Haloarcula marismortui
分子名称: Catalase-peroxidase 2, PROTOPORPHYRIN IX CONTAINING FE
著者Sato, T, Higuchi, W, Yoshimatsu, K, Fujiwara, T.
登録日2011-12-01
公開日2012-12-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Catalatic Implication Guided by Structure, Kinetics and Theoretical Studies on Ser305Thr and Arg409Leu Variants of HmKatG
To be Published
3V56
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Re-refinement of PDB entry 1OSG - Complex between BAFF and a BR3 derived peptide presented in a beta-hairpin scaffold - reveals an additonal copy of the peptide.
分子名称: BR3 derived peptive, SULFATE ION, Tumor necrosis factor ligand superfamily member 13B
著者Smart, O.S, Womack, T.O, Flensburg, C, Keller, P, Sharff, A, Paciorek, W, Vonrhein, C, Bricogne, G.
登録日2011-12-16
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Exploiting structure similarity in refinement: automated NCS and target-structure restraints in BUSTER.
Acta Crystallogr.,Sect.D, 68, 2012
3V48
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Crystal Structure of the putative alpha/beta hydrolase RutD from E.coli
分子名称: GLYCEROL, Putative aminoacrylate hydrolase RutD, THIOCYANATE ION
著者Knapik, A.A, Petkowski, J.J, Otwinowski, Z, Cymborowski, M.T, Cooper, D.R, Chruszcz, M, Porebski, P.J, Niedzialkowska, E, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2011-12-14
公開日2012-01-04
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A multi-faceted analysis of RutD reveals a novel family of alpha / beta hydrolases.
Proteins, 80, 2012
3V3L
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Crystal structure of human RNF146 WWE domain in complex with iso-ADPRibose
分子名称: 2'-O-(5-O-phosphono-alpha-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate), E3 ubiquitin-protein ligase RNF146
著者Wang, Z, Cheng, Z, Xu, W.
登録日2011-12-13
公開日2012-02-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Recognition of the iso-ADP-ribose moiety in poly(ADP-ribose) by WWE domains suggests a general mechanism for poly(ADP-ribosyl)ation-dependent ubiquitination.
Genes Dev., 26, 2012
3V4D
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Crystal structure of RutC protein a member of the YjgF family from E.coli
分子名称: Aminoacrylate peracid reductase RutC
著者Knapik, A.A, Petkowski, J.J, Otwinowski, Z, Cymborowski, M.T, Cooper, D.R, Chruszcz, M, Porebski, P.J, Niedzialkowska, E, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2011-12-14
公開日2012-01-04
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of Escherichia coli RutC, a member of the YjgF family and putative aminoacrylate peracid reductase of the rut operon.
Acta Crystallogr.,Sect.F, 68, 2012
3V03
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Crystal structure of Bovine Serum Albumin
分子名称: ACETATE ION, CALCIUM ION, Serum albumin
著者Majorek, K.A, Porebski, P.J, Chruszcz, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2011-12-07
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and immunologic characterization of bovine, horse, and rabbit serum albumins.
Mol.Immunol., 52, 2012
3UO9
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Crystal Structure of Human GAC in Complex with Glutamate and BPTES
分子名称: GLYCEROL, Glutaminase kidney isoform, mitochondrial, ...
著者DeLaBarre, B, Gross, S, Cheng, F, Gao, Y, Jha, A, Jiang, F, Song, J.J, Wei, W, Hurov, J.B.
登録日2011-11-16
公開日2011-12-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Full-length human glutaminase in complex with an allosteric inhibitor.
Biochemistry, 50, 2011
3UUD
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Crystal structure of hERa-LBD (Y537S) in complex with estradiol
分子名称: 1,2-ETHANEDIOL, ESTRADIOL, Estrogen receptor, ...
著者Delfosse, V, Grimaldi, M, Bourguet, W.
登録日2011-11-28
公開日2012-08-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes.
Proc.Natl.Acad.Sci.USA, 109, 2012
3V33
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Crystal structure of MCPIP1 conserved domain with zinc-finger motif
分子名称: Ribonuclease ZC3H12A
著者Xu, J, Peng, W, Sun, Y, Wang, X, Xu, Y, Li, X, Gao, G, Rao, Z.
登録日2011-12-12
公開日2012-05-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献Structural study of MCPIP1 N-terminal conserved domain reveals a PIN-like RNase
Nucleic Acids Res., 40, 2012
3V5U
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Structure of Sodium/Calcium Exchanger from Methanocaldococcus jannaschii DSM 2661
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ACETATE ION, CALCIUM ION, ...
著者Jiang, Y, Liao, J, Li, H, Zeng, W, Sauer, D, Belmares, R.
登録日2011-12-16
公開日2012-02-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insight into the ion-exchange mechanism of the sodium/calcium exchanger.
Science, 335, 2012
3V34
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Crystal structure of MCPIP1 conserved domain with magnesium ion in the catalytic center
分子名称: MAGNESIUM ION, Ribonuclease ZC3H12A
著者Xu, J, Peng, W, Sun, Y, Wang, X, Xu, Y, Li, X, Gao, G, Rao, Z.
登録日2011-12-12
公開日2012-05-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Structural study of MCPIP1 N-terminal conserved domain reveals a PIN-like RNase
Nucleic Acids Res., 40, 2012
3VAY
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BU of 3vay by Molmil
Crystal structure of 2-Haloacid Dehalogenase from Pseudomonas syringae pv. Tomato DC3000
分子名称: HAD-superfamily hydrolase, IODIDE ION, MAGNESIUM ION
著者Hou, Z, Zhang, H, Li, M, Chang, W.
登録日2011-12-30
公開日2013-01-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.979 Å)
主引用文献Structure of 2-haloacid dehalogenase from Pseudomonas syringae pv. tomato DC3000
Acta Crystallogr.,Sect.D, 69, 2013
3VCD
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Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group R32
分子名称: CHLORIDE ION, Propanediol utilization polyhedral body protein PduT, SULFATE ION
著者Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O.
登録日2012-01-03
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
3VLM
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Crystal Structure Analysis of the Met244Ala Variant of KatG from Haloarcula marismortui
分子名称: Catalase-peroxidase 2, PROTOPORPHYRIN IX CONTAINING FE
著者Sato, T, Ten-i, T, Higuchi, W, Yoshimatsu, K, Fujiwara, T.
登録日2011-12-01
公開日2012-12-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Crystal Structure and Kinetic Studies on Met244Ala Variant of KatG from HALOARCULA MARISMORTUI
To be Published
3VLW
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Crystal structure of Sphingomonas sp. A1 alginate-binding protein AlgQ1 in complex with mannuronate-guluronate disaccharide
分子名称: AlgQ1, CALCIUM ION, GLYCEROL, ...
著者Nishitani, Y, Maruyama, Y, Itoh, T, Mikami, B, Hashimoto, W, Murata, K.
登録日2011-12-05
公開日2012-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Recognition of heteropolysaccharide alginate by periplasmic solute-binding proteins of a bacterial ABC transporter
Biochemistry, 51, 2012
6I9W
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Crystal structure of the halohydrin dehalogenase HheG T123G mutant
分子名称: (R,R)-2,3-BUTANEDIOL, CHLORIDE ION, Putative oxidoreductase
著者Kluenemann, T, Blankenfeldt, W, Schallmey, A.
登録日2018-11-26
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Position 123 of halohydrin dehalogenase HheG plays an important role in stability, activity, and enantioselectivity.
Sci Rep, 9, 2019
6IHA
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antibacterial peptide SibaCec-A
分子名称: SibaCec-A
著者Jing, H, Lin, W.
登録日2018-09-29
公開日2019-10-02
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献antibacterial peptide SibaCec-A
To Be Published
6I63
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Crystal structure of human ERRg LBD in complex with bisphenol-A
分子名称: 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen-related receptor gamma
著者Delfosse, V, Blanc, P, Bourguet, W.
登録日2018-11-15
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.229 Å)
主引用文献Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
6IIQ
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Complex structure of the HRP3 PWWP domain with a 16-bp TA-rich DNA
分子名称: 16-bp TA-rich DNA, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Hepatoma-derived growth factor-related protein 3, ...
著者Wang, Z, Tian, W.
登録日2018-10-07
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Complex structure of the HRP3 PWWP domain with a 16-bp TA-rich DNA
Nucleic Acids Res., 2019
6IJN
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The D295N mutant of the N6-methyl-AMP deaminase from Arabidopsis thaliana complexed with N6m-AMP
分子名称: Adenosine/AMP deaminase family protein, N6-METHYLADENOSINE-5'-MONOPHOSPHATE
著者Xie, W, Jia, Q.
登録日2018-10-10
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Alternative conformation induced by substrate binding for Arabidopsis thalianaN6-methyl-AMP deaminase.
Nucleic Acids Res., 47, 2019
6IMQ
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Crystal structure of PML B1-box multimers
分子名称: CHLORIDE ION, Protein PML, ZINC ION
著者Li, Y, Ma, X, Chen, Z, Wu, H, Wang, P, Wu, W, Cheng, N, Zeng, L, Zhang, H, Cai, X, Chen, S.J, Chen, Z, Meng, G.
登録日2018-10-23
公開日2019-07-31
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献B1 oligomerization regulates PML nuclear body biogenesis and leukemogenesis.
Nat Commun, 10, 2019
6IRE
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Complex structure of INAD PDZ45 and NORPA CC-PBM
分子名称: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase, Inactivation-no-after-potential D protein
著者Ye, F, Li, J, Deng, X, Liu, W, Zhang, M.
登録日2018-11-12
公開日2019-01-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献An unexpected INAD PDZ tandem-mediated plc beta binding in Drosophila photo receptors.
Elife, 7, 2018
6IIL
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USP14 catalytic domain bind to IU1-47
分子名称: 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14
著者Mei, Z.Q, Wang, Y.W, Wang, F, Wang, J.W, He, W, Ding, S, Li, J.W.
登録日2018-10-07
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018

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件を2024-07-17に公開中

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