1A9R
 
 | | BOVINE PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH HYPOXANTHINE AND SULFATE | | Descriptor: | HYPOXANTHINE, PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION | | Authors: | Mao, C, Cook, W.J, Zhou, M, Fedorov, A.A, Almo, S.C, Ealick, S.E. | | Deposit date: | 1998-04-10 | | Release date: | 1998-07-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Calf spleen purine nucleoside phosphorylase complexed with substrates and substrate analogues.
Biochemistry, 37, 1998
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1AAR
 | | STRUCTURE OF A DIUBIQUITIN CONJUGATE AND A MODEL FOR INTERACTION WITH UBIQUITIN CONJUGATING ENZYME (E2) | | Descriptor: | DI-UBIQUITIN | | Authors: | Cook, W.J, Jeffrey, L.C, Carson, M, Chen, Z, Pickart, C.M. | | Deposit date: | 1992-04-17 | | Release date: | 1993-10-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of a diubiquitin conjugate and a model for interaction with ubiquitin conjugating enzyme (E2).
J.Biol.Chem., 267, 1992
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3K7J
 | | Crystal structure of the D100E mutant of the Indian Hedgehog N-terminal signalling domain | | Descriptor: | CARBONATE ION, Indian hedgehog protein, SULFATE ION, ... | | Authors: | He, Y.-X, Kang, Y, Zhang, W.J, Yu, J, Ma, G, Zhou, C.-Z. | | Deposit date: | 2009-10-13 | | Release date: | 2011-01-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the D100E mutant of the Indian Hedgehog N-terminal signalling domain
To be Published
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6V6A
 | | Inhibitory scaffolding of the ancient MAPK, ERK7 | | Descriptor: | 1,2-ETHANEDIOL, Apical Cap Protein 9 (AC9), Mitogen-activated protein kinase | | Authors: | Dewangan, P.S, O'Shaughnessy, W.J, Back, P.S, Hu, X, Bradley, P.J, Reese, M.L. | | Deposit date: | 2019-12-04 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ancient MAPK ERK7 is regulated by an unusual inhibitory scaffold required forToxoplasmaapical complex biogenesis.
Proc.Natl.Acad.Sci.USA, 117, 2020
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1B9V
 | | NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE | | Descriptor: | 1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Finley, J.B, Atigadda, V.R, Duarte, F, Zahao, J.J, Brouillette, W.J, Air, G.M, Luo, M. | | Deposit date: | 1999-02-15 | | Release date: | 1999-02-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site.
J.Mol.Biol., 293, 1999
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1B9S
 | | NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN THE ACTIVE SITE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID, CALCIUM ION, ... | | Authors: | Finley, J.B, Atigadda, V.R, Duarte, F, Zhao, J.J, Brouillette, W.J, Air, G.M, Luo, M. | | Deposit date: | 1999-02-15 | | Release date: | 1999-02-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site.
J.Mol.Biol., 293, 1999
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3J2U
 | | Kinesin-13 KLP10A HD in complex with CS-tubulin and a microtubule | | Descriptor: | Kinesin-like protein Klp10A, Tubulin alpha-1A chain, Tubulin beta-2B chain | | Authors: | Asenjo, A.B, Chatterjee, C, Tan, D, DePaoli, V, Rice, W.J, Diaz-Avalos, R, Silvestry, M, Sosa, H. | | Deposit date: | 2013-01-10 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (10.8 Å) | | Cite: | Structural model for tubulin recognition and deformation by Kinesin-13 microtubule depolymerases.
Cell Rep, 3, 2013
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6WIV
 | | Structure of human GABA(B) receptor in an inactive state | | Descriptor: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Park, J, Fu, Z, Frangaj, A, Liu, J, Mosyak, L, Shen, T, Slavkovich, V.N, Ray, K.M, Taura, J, Cao, B, Geng, Y, Zuo, H, Kou, Y, Grassucci, R, Chen, S, Liu, Z, Lin, X, Williams, J.P, Rice, W.J, Eng, E.T, Huang, R.K, Soni, R.K, Kloss, B, Yu, Z, Javitch, J.A, Hendrickson, W.A, Slesinger, P.A, Quick, M, Graziano, J, Yu, H, Fiehn, O, Clarke, O.B, Frank, J, Fan, Q.R. | | Deposit date: | 2020-04-10 | | Release date: | 2020-07-01 | | Last modified: | 2020-08-26 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure of human GABABreceptor in an inactive state.
Nature, 584, 2020
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6X5J
 | | Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors | | Descriptor: | 2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, Coagulation factor IX, ... | | Authors: | Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S. | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-24 | | Method: | X-RAY DIFFRACTION (2.513 Å) | | Cite: | Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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6X5L
 | | Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors | | Descriptor: | 4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide, CITRIC ACID, Coagulation factor IX, ... | | Authors: | Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S. | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-24 | | Method: | X-RAY DIFFRACTION (2.246 Å) | | Cite: | Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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3NJ6
 | | 0.95 A resolution X-ray structure of (GGCAGCAGCC)2 | | Descriptor: | 5'-R(*GP*GP*CP*AP*GP*CP*AP*GP*CP*C)-3', SULFATE ION | | Authors: | Kiliszek, A, Kierzek, R, Krzyzosiak, W.J, Rypniewski, W. | | Deposit date: | 2010-06-17 | | Release date: | 2010-08-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Atomic resolution structure of CAG RNA repeats: structural insights and implications for the trinucleotide repeat expansion diseases.
Nucleic Acids Res., 38, 2010
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3NJ7
 | | 1.9 A resolution X-ray structure of (GGCAGCAGCC)2 | | Descriptor: | 5'-R(*GP*GP*CP*AP*GP*CP*AP*GP*CP*C)-3', SULFATE ION | | Authors: | Kiliszek, A, Kierzek, R, Krzyzosiak, W.J, Rypniewski, W. | | Deposit date: | 2010-06-17 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | Atomic resolution structure of CAG RNA repeats: structural insights and implications for the trinucleotide repeat expansion diseases.
Nucleic Acids Res., 38, 2010
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4URI
 | | Crystal structure of chitinase-like agglutinin RobpsCRA from Robinia pseudoacacia | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHITINASE-RELATED AGGLUTININ, CHLORIDE ION, ... | | Authors: | Sulzenbacher, G, Roig-Zamboni, V, Peumans, W.J, Henrissat, B, van Damme, E.J.M, Bourne, Y. | | Deposit date: | 2014-06-30 | | Release date: | 2015-03-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Basis for Carbohydrate Binding Properties of a Plant Chitinase-Like Agglutinin with Conserved Catalytic Machinery.
J.Struct.Biol., 190, 2015
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4WHG
 | | Crystal Structure of TR3 LBD in complex with Molecule 3 | | Descriptor: | 1-(3,4,5-trihydroxyphenyl)octan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W. | | Deposit date: | 2014-09-22 | | Release date: | 2015-09-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
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4XBF
 | | Structure of LSD1:CoREST in complex with ssRNA | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | | Authors: | Luka, Z, Loukachevitch, L.V, Martin, W.J, Wagner, C, Reiter, N.J. | | Deposit date: | 2014-12-16 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.803 Å) | | Cite: | G-quadruplex RNA binding and recognition by the lysine-specific histone demethylase-1 enzyme.
RNA, 22, 2016
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4XSQ
 | | Structure of a variable lymphocyte receptor-like protein Bf66946 from Branchiostoma floridae | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, variable lymphocyte receptor-like protein Bf66946 | | Authors: | Cao, D.D, Cheng, W, Jiang, Y.L, Wang, W.J, Li, Q, Chen, Y, Zhou, C.Z. | | Deposit date: | 2015-01-22 | | Release date: | 2016-03-23 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure of a variable lymphocyte receptor-like protein from the amphioxus Branchiostoma floridae.
Sci Rep, 6, 2016
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4WHF
 | | Crystal Structure of TR3 LBD in complex with 1-(3,4,5-trihydroxyphenyl)decan-1-one | | Descriptor: | 1-(3,4,5-trihydroxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W. | | Deposit date: | 2014-09-22 | | Release date: | 2015-09-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
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7YLK
 | | Myoglobin containing Ir complex | | Descriptor: | Myoglobin, SULFATE ION, delta-{1-([2,2'-bipyridin]-5-ylmethyl)pyrrolidine-2,5-dione}bis[2-(2,4-difluorophenyl)pyridine)]iridium(III), ... | | Authors: | Lee, J.H, Song, W.J. | | Deposit date: | 2022-07-26 | | Release date: | 2023-03-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Photocatalytic C-O Coupling Enzymes That Operate via Intramolecular Electron Transfer.
J.Am.Chem.Soc., 145, 2023
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7XTY
 | | Crystal Structure of the second PDZ domain from human PTPN13 in complex with APC peptide | | Descriptor: | APC-peptide, Tyrosine-protein phosphatase non-receptor type 13 | | Authors: | Jing, L.Q, Sun, X.N, Ma, W.H, Zhou, W.J, Wu, D.L. | | Deposit date: | 2022-05-18 | | Release date: | 2023-05-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Targeting PTPN13 with 11 amino acid peptides of C-terminal APC prevents immune evasion of colorectal cancer
to be published
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7Y5M
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2TSS
 | | TOXIC SHOCK SYNDROME TOXIN-1 FROM STAPHYLOCOCCUS AUREUS: ORTHORHOMBICC222(1) CRYSTAL FORM | | Descriptor: | TOXIC SHOCK SYNDROME TOXIN-1 | | Authors: | Prasad, G.S, Radhakrishnan, R, Mitchell, D.T, Earhart, C.A, Dinges, M.M, Cook, W.J, Schlivert, P.M, Ohlendorf, D.H. | | Deposit date: | 1996-12-04 | | Release date: | 1997-12-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Refined structures of three crystal forms of toxic shock syndrome toxin-1 and of a tetramutant with reduced activity.
Protein Sci., 6, 1997
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2SCP
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7YPL
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2UYZ
 | | Non-covalent complex between Ubc9 and SUMO1 | | Descriptor: | SMALL UBIQUITIN-RELATED MODIFIER 1, SODIUM ION, SUMO-CONJUGATING ENZYME UBC9 | | Authors: | Knipscheer, P, van Dijk, W.J, Olsen, J.V, Mann, M, Sixma, T.K. | | Deposit date: | 2007-04-21 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Noncovalent interaction between Ubc9 and SUMO promotes SUMO chain formation.
EMBO J., 26, 2007
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2VGH
 | | HEPARIN-BINDING DOMAIN FROM VASCULAR ENDOTHELIAL GROWTH FACTOR, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | VASCULAR ENDOTHELIAL GROWTH FACTOR-165 | | Authors: | Fairbrother, W.J, Champe, M.A, Christinger, H.W, Keyt, B.A, Starovasnik, M.A. | | Deposit date: | 1997-12-17 | | Release date: | 1998-04-08 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the heparin-binding domain of vascular endothelial growth factor.
Structure, 6, 1998
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