3UUO
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![BU of 3uuo by Molmil](/molmil-images/mine/3uuo) | The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10 inhibitors for the treatment of Schizophrenia | Descriptor: | 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | 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. | Deposit date: | 2011-11-28 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The discovery of potent, selective, and orally active pyrazoloquinolines as PDE10A inhibitors for the treatment of Schizophrenia. Bioorg.Med.Chem.Lett., 22, 2012
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3V0R
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![BU of 3v0r by Molmil](/molmil-images/mine/3v0r) | Crystal structure of Alternaria alternata allergen Alt a 1 | Descriptor: | 2,5,6-triaminopyrimidin-4-ol, 8-aminooctanoic acid, Major allergen Alt a 1, ... | Authors: | Chruszcz, M, Solberg, R, Osinski, T, Chapman, M.D, Minor, W. | Deposit date: | 2011-12-08 | Release date: | 2012-06-13 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Alternaria alternata allergen Alt a 1: a unique beta-barrel protein dimer found exclusively in fungi. J.Allergy Clin.Immunol., 130, 2012
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3UW8
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![BU of 3uw8 by Molmil](/molmil-images/mine/3uw8) | |
3V56
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![BU of 3v56 by Molmil](/molmil-images/mine/3v56) | 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. | Descriptor: | BR3 derived peptive, SULFATE ION, Tumor necrosis factor ligand superfamily member 13B | Authors: | Smart, O.S, Womack, T.O, Flensburg, C, Keller, P, Sharff, A, Paciorek, W, Vonrhein, C, Bricogne, G. | Deposit date: | 2011-12-16 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Exploiting structure similarity in refinement: automated NCS and target-structure restraints in BUSTER. Acta Crystallogr.,Sect.D, 68, 2012
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3V48
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![BU of 3v48 by Molmil](/molmil-images/mine/3v48) | Crystal Structure of the putative alpha/beta hydrolase RutD from E.coli | Descriptor: | GLYCEROL, Putative aminoacrylate hydrolase RutD, THIOCYANATE ION | Authors: | 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) | Deposit date: | 2011-12-14 | Release date: | 2012-01-04 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A multi-faceted analysis of RutD reveals a novel family of alpha / beta hydrolases. Proteins, 80, 2012
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3V3L
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![BU of 3v3l by Molmil](/molmil-images/mine/3v3l) | Crystal structure of human RNF146 WWE domain in complex with iso-ADPRibose | Descriptor: | 2'-O-(5-O-phosphono-alpha-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate), E3 ubiquitin-protein ligase RNF146 | Authors: | Wang, Z, Cheng, Z, Xu, W. | Deposit date: | 2011-12-13 | Release date: | 2012-02-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 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
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3V4D
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![BU of 3v4d by Molmil](/molmil-images/mine/3v4d) | Crystal structure of RutC protein a member of the YjgF family from E.coli | Descriptor: | Aminoacrylate peracid reductase RutC | Authors: | 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) | Deposit date: | 2011-12-14 | Release date: | 2012-01-04 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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
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3V03
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![BU of 3v03 by Molmil](/molmil-images/mine/3v03) | Crystal structure of Bovine Serum Albumin | Descriptor: | ACETATE ION, CALCIUM ION, Serum albumin | Authors: | Majorek, K.A, Porebski, P.J, Chruszcz, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-12-07 | Release date: | 2012-01-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and immunologic characterization of bovine, horse, and rabbit serum albumins. Mol.Immunol., 52, 2012
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3UO9
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![BU of 3uo9 by Molmil](/molmil-images/mine/3uo9) | Crystal Structure of Human GAC in Complex with Glutamate and BPTES | Descriptor: | GLYCEROL, Glutaminase kidney isoform, mitochondrial, ... | Authors: | DeLaBarre, B, Gross, S, Cheng, F, Gao, Y, Jha, A, Jiang, F, Song, J.J, Wei, W, Hurov, J.B. | Deposit date: | 2011-11-16 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Full-length human glutaminase in complex with an allosteric inhibitor. Biochemistry, 50, 2011
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3UUD
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![BU of 3uud by Molmil](/molmil-images/mine/3uud) | Crystal structure of hERa-LBD (Y537S) in complex with estradiol | Descriptor: | 1,2-ETHANEDIOL, ESTRADIOL, Estrogen receptor, ... | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | Deposit date: | 2011-11-28 | Release date: | 2012-08-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 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
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3V33
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![BU of 3v33 by Molmil](/molmil-images/mine/3v33) | Crystal structure of MCPIP1 conserved domain with zinc-finger motif | Descriptor: | Ribonuclease ZC3H12A | Authors: | Xu, J, Peng, W, Sun, Y, Wang, X, Xu, Y, Li, X, Gao, G, Rao, Z. | Deposit date: | 2011-12-12 | Release date: | 2012-05-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | Structural study of MCPIP1 N-terminal conserved domain reveals a PIN-like RNase Nucleic Acids Res., 40, 2012
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3V5U
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![BU of 3v5u by Molmil](/molmil-images/mine/3v5u) | Structure of Sodium/Calcium Exchanger from Methanocaldococcus jannaschii DSM 2661 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ACETATE ION, CALCIUM ION, ... | Authors: | Jiang, Y, Liao, J, Li, H, Zeng, W, Sauer, D, Belmares, R. | Deposit date: | 2011-12-16 | Release date: | 2012-02-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insight into the ion-exchange mechanism of the sodium/calcium exchanger. Science, 335, 2012
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3V34
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![BU of 3v34 by Molmil](/molmil-images/mine/3v34) | Crystal structure of MCPIP1 conserved domain with magnesium ion in the catalytic center | Descriptor: | MAGNESIUM ION, Ribonuclease ZC3H12A | Authors: | Xu, J, Peng, W, Sun, Y, Wang, X, Xu, Y, Li, X, Gao, G, Rao, Z. | Deposit date: | 2011-12-12 | Release date: | 2012-05-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Structural study of MCPIP1 N-terminal conserved domain reveals a PIN-like RNase Nucleic Acids Res., 40, 2012
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3VAY
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![BU of 3vay by Molmil](/molmil-images/mine/3vay) | Crystal structure of 2-Haloacid Dehalogenase from Pseudomonas syringae pv. Tomato DC3000 | Descriptor: | HAD-superfamily hydrolase, IODIDE ION, MAGNESIUM ION | Authors: | Hou, Z, Zhang, H, Li, M, Chang, W. | Deposit date: | 2011-12-30 | Release date: | 2013-01-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.979 Å) | Cite: | Structure of 2-haloacid dehalogenase from Pseudomonas syringae pv. tomato DC3000 Acta Crystallogr.,Sect.D, 69, 2013
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3VCD
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![BU of 3vcd by Molmil](/molmil-images/mine/3vcd) | Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group R32 | Descriptor: | CHLORIDE ION, Propanediol utilization polyhedral body protein PduT, SULFATE ION | Authors: | Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O. | Deposit date: | 2012-01-03 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Computational design of self-assembling protein nanomaterials with atomic level accuracy. Science, 336, 2012
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3VLM
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![BU of 3vlm by Molmil](/molmil-images/mine/3vlm) | Crystal Structure Analysis of the Met244Ala Variant of KatG from Haloarcula marismortui | Descriptor: | Catalase-peroxidase 2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sato, T, Ten-i, T, Higuchi, W, Yoshimatsu, K, Fujiwara, T. | Deposit date: | 2011-12-01 | Release date: | 2012-12-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal Structure and Kinetic Studies on Met244Ala Variant of KatG from HALOARCULA MARISMORTUI To be Published
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3VLW
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![BU of 3vlw by Molmil](/molmil-images/mine/3vlw) | Crystal structure of Sphingomonas sp. A1 alginate-binding protein AlgQ1 in complex with mannuronate-guluronate disaccharide | Descriptor: | AlgQ1, CALCIUM ION, GLYCEROL, ... | Authors: | Nishitani, Y, Maruyama, Y, Itoh, T, Mikami, B, Hashimoto, W, Murata, K. | Deposit date: | 2011-12-05 | Release date: | 2012-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recognition of heteropolysaccharide alginate by periplasmic solute-binding proteins of a bacterial ABC transporter Biochemistry, 51, 2012
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6I9W
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![BU of 6i9w by Molmil](/molmil-images/mine/6i9w) | Crystal structure of the halohydrin dehalogenase HheG T123G mutant | Descriptor: | (R,R)-2,3-BUTANEDIOL, CHLORIDE ION, Putative oxidoreductase | Authors: | Kluenemann, T, Blankenfeldt, W, Schallmey, A. | Deposit date: | 2018-11-26 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Position 123 of halohydrin dehalogenase HheG plays an important role in stability, activity, and enantioselectivity. Sci Rep, 9, 2019
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6IHA
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![BU of 6iha by Molmil](/molmil-images/mine/6iha) | |
6I63
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![BU of 6i63 by Molmil](/molmil-images/mine/6i63) | Crystal structure of human ERRg LBD in complex with bisphenol-A | Descriptor: | 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen-related receptor gamma | Authors: | Delfosse, V, Blanc, P, Bourguet, W. | Deposit date: | 2018-11-15 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.229 Å) | Cite: | Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors. Cell.Mol.Life Sci., 76, 2019
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6IIQ
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![BU of 6iiq by Molmil](/molmil-images/mine/6iiq) | Complex structure of the HRP3 PWWP domain with a 16-bp TA-rich DNA | Descriptor: | 16-bp TA-rich DNA, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Hepatoma-derived growth factor-related protein 3, ... | Authors: | Wang, Z, Tian, W. | Deposit date: | 2018-10-07 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Complex structure of the HRP3 PWWP domain with a 16-bp TA-rich DNA Nucleic Acids Res., 2019
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6IJN
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6IMQ
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![BU of 6imq by Molmil](/molmil-images/mine/6imq) | Crystal structure of PML B1-box multimers | Descriptor: | CHLORIDE ION, Protein PML, ZINC ION | Authors: | 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. | Deposit date: | 2018-10-23 | Release date: | 2019-07-31 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | B1 oligomerization regulates PML nuclear body biogenesis and leukemogenesis. Nat Commun, 10, 2019
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6IRE
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![BU of 6ire by Molmil](/molmil-images/mine/6ire) | Complex structure of INAD PDZ45 and NORPA CC-PBM | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase, Inactivation-no-after-potential D protein | Authors: | Ye, F, Li, J, Deng, X, Liu, W, Zhang, M. | Deposit date: | 2018-11-12 | Release date: | 2019-01-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | An unexpected INAD PDZ tandem-mediated plc beta binding in Drosophila photo receptors. Elife, 7, 2018
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6IIL
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![BU of 6iil by Molmil](/molmil-images/mine/6iil) | USP14 catalytic domain bind to IU1-47 | Descriptor: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14 | Authors: | Mei, Z.Q, Wang, Y.W, Wang, F, Wang, J.W, He, W, Ding, S, Li, J.W. | Deposit date: | 2018-10-07 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade. Cell Res., 28, 2018
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