7NSV
 
 | | 14-3-3 sigma with p65 (RelA) binding site pS45 and covalently bound PC2046 | | Descriptor: | 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole, 14-3-3 protein sigma, GLYCEROL, ... | | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | Deposit date: | 2021-03-08 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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3M5H
 | | Crystal structure of a H7 influenza virus hemagglutinin complexed with 3SLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Yang, H, Chen, L.M, Carney, P.J, Donis, R.O, Stevens, J. | | Deposit date: | 2010-03-12 | | Release date: | 2010-09-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of receptor complexes of a North American H7N2 influenza hemagglutinin with a loop deletion in the receptor binding site.
Plos Pathog., 6, 2010
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6ZRV
 | | Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-W175F) in Complex with an Inhibitory Nanobody (VHH-s-a93, Nb93) | | Descriptor: | Plasminogen activator inhibitor 1, VHH-s-a93 (Nb93) | | Authors: | Sillen, M, Weeks, S.D, Strelkov, S.V, Declerck, P.J. | | Deposit date: | 2020-07-15 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural Insights into the Mechanism of a Nanobody That Stabilizes PAI-1 and Modulates Its Activity.
Int J Mol Sci, 21, 2020
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1PL7
 | | Human Sorbitol Dehydrogenase (apo) | | Descriptor: | Sorbitol dehydrogenase, ZINC ION | | Authors: | Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L. | | Deposit date: | 2003-06-07 | | Release date: | 2004-02-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase.
Structure, 11, 2003
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6FRC
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3KBE
 | | Metal-free C. elegans Cu,Zn Superoxide Dismutase | | Descriptor: | Superoxide dismutase [Cu-Zn] | | Authors: | Pakhomova, O.N, Taylor, A.B, Schuermann, J.P, Culotta, V.L, Hart, P.J. | | Deposit date: | 2009-10-20 | | Release date: | 2010-10-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | X-ray Crystal Structure of C. elegans Cu,Zn Superoxide Dismutase
To be Published
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3E0G
 | | Structure of the Leukemia Inhibitory Factor Receptor (LIF-R) domains D1-D5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Leukemia inhibitory factor receptor, ... | | Authors: | Lupardus, P.J, Garcia, K.C. | | Deposit date: | 2008-07-31 | | Release date: | 2008-09-23 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural organization of a full-length gp130/LIF-R cytokine receptor transmembrane complex.
Mol.Cell, 31, 2008
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4R01
 | | Crystal structure of SP1627, a putative NADH-flavin reductase, from Streptococcus pneumoniae TIGR4 | | Descriptor: | CHLORIDE ION, SULFATE ION, putative NADH-flavin reductase | | Authors: | Stogios, P.J, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-07-29 | | Release date: | 2014-08-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of SP1627, a putative NADH-flavin reductase, from Streptococcus pneumoniae TIGR4
TO BE PUBLISHED
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1PL6
 | | Human SDH/NADH/inhibitor complex | | Descriptor: | 4-[2-(HYDROXYMETHYL)PYRIMIDIN-4-YL]-N,N-DIMETHYLPIPERAZINE-1-SULFONAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Sorbitol dehydrogenase, ... | | Authors: | Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L. | | Deposit date: | 2003-06-07 | | Release date: | 2004-02-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase.
Structure, 11, 2003
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6FR7
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3KIA
 | | Crystal structure of mannosyl-3-phosphoglycerate synthase from Rubrobacter xylanophilus | | Descriptor: | CHLORIDE ION, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Macedo-Ribeiro, S, Pereira, P.J.B, Empadinhas, N, da Costa, M.S. | | Deposit date: | 2009-11-01 | | Release date: | 2010-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Functional and structural characterization of a novel mannosyl-3-phosphoglycerate synthase from Rubrobacter xylanophilus reveals its dual substrate specificity
Mol.Microbiol., 79, 2011
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6FUP
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1Q2J
 | | Structural basis for tetrodotoxin-resistant sodium channel binding by mu-conotoxin SmIIIA | | Descriptor: | Mu-conotoxin SmIIIA | | Authors: | Keizer, D.W, West, P.J, Lee, E.F, Olivera, B.M, Bulaj, G, Yoshikami, D, Norton, R.S. | | Deposit date: | 2003-07-24 | | Release date: | 2004-02-24 | | Last modified: | 2020-06-24 | | Method: | SOLUTION NMR | | Cite: | Structural basis for tetrodotoxin-resistant sodium channel binding by mu-conotoxin SmIIIA.
J.Biol.Chem., 278, 2003
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4RG1
 | | Methyltransferase domain of C9orf114 | | Descriptor: | C9orf114, POLYETHYLENE GLYCOL (N=34), S-1,2-PROPANEDIOL, ... | | Authors: | Dong, A, Zeng, H, Walker, J.R, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-09-29 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | The Crystal Structure of Human C9orf114 in complex with S-adenosyl-homocysteine
To be Published
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1Q51
 | | Crystal Structure of Mycobacterium tuberculosis MenB in Complex with Acetoacetyl-Coenzyme A, a Key Enzyme in Vitamin K2 Biosynthesis | | Descriptor: | ACETOACETYL-COENZYME A, menB | | Authors: | Truglio, J.J, Theis, K, Feng, Y, Gajda, R, Machutta, C, Tonge, P.J, Kisker, C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2003-08-05 | | Release date: | 2004-01-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of Mycobacterium tuberculosis MenB, a key enzyme in vitamin K2 biosynthesis.
J.Biol.Chem., 278, 2003
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1PL8
 | | human SDH/NAD+ complex | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION, human sorbitol dehydrogenase | | Authors: | Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L. | | Deposit date: | 2003-06-07 | | Release date: | 2004-02-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase.
Structure, 11, 2003
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5U4X
 | | Coactivator-associated arginine methyltransferase 1 with TP-064 | | Descriptor: | Histone-arginine methyltransferase CARM1, N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | DONG, A, ZENG, H, Saikatendu, K.S, STONE, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-12-06 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | TP-064, a potent and selective small molecule inhibitor of PRMT4 for multiple myeloma.
Oncotarget, 9, 2018
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5UD9
 | | Crystal structure of 354BG18 Fab | | Descriptor: | Fab heavy chain, Light chain | | Authors: | Scharf, L, Bjorkman, P.J. | | Deposit date: | 2016-12-23 | | Release date: | 2017-02-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Coexistence of potent HIV-1 broadly neutralizing antibodies and antibody-sensitive viruses in a viremic controller.
Sci Transl Med, 9, 2017
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5UB8
 | | Crystal structure of YPT31, a Rab family GTPase from Candida albicans, in complex with GDP and Zn(II) | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Likely rab family GTP-binding protein, ZINC ION | | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-12-20 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of YPT31, a Rab family GTPase from Candida albicans, in complex with GDP and Zn(II)
To Be Published
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1NO6
 | | Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 5 Using a Linked-Fragment Strategy | | Descriptor: | 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R. | | Deposit date: | 2003-01-15 | | Release date: | 2003-04-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor
Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
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1NNY
 | | Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 23 Using a Linked-Fragment Strategy | | Descriptor: | 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R. | | Deposit date: | 2003-01-14 | | Release date: | 2003-04-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor
Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
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3DUH
 | | Structure of Interleukin-23 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit beta, Interleukin-23 subunit alpha | | Authors: | Lupardus, P.J, Garcia, K.C. | | Deposit date: | 2008-07-17 | | Release date: | 2008-08-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of interleukin-23 reveals the molecular basis of p40 subunit sharing with interleukin-12.
J.Mol.Biol., 382, 2008
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5UFX
 | | Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1074 | | Descriptor: | (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol, Estrogen receptor | | Authors: | Fanning, S.W, Hodges-Gallagher, L, Myles, D.C, Sun, R, Fowler, C.E, Green, B.D, Harmon, C.L, Greene, G.L, Kushner, P.J. | | Deposit date: | 2017-01-06 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5503 Å) | | Cite: | Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.
Nat Commun, 9, 2018
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6FR9
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1NWA
 | | Structure of Mycobacterium tuberculosis Methionine Sulfoxide Reductase A in Complex with Protein-bound Methionine | | Descriptor: | Peptide methionine sulfoxide reductase msrA | | Authors: | Taylor, A.B, Benglis Jr, D.M, Dhandayuthapani, S, Hart, P.J, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2003-02-05 | | Release date: | 2003-07-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of Mycobacterium tuberculosis Methionine Sulfoxide Reductase A in Complex with Protein-bound Methionine
J.Bacteriol., 185, 2003
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