8CYO
 
 | | Nurr1 Covalently Bound to a Synthetic Ligand, 10.25, via a Disulfide Bond | | Descriptor: | 2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide, CHLORIDE ION, Nuclear receptor subfamily 4 group A member 2 | | Authors: | Bruning, J.M, Liu, J, England, P.M. | | Deposit date: | 2022-05-24 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Nurr1 Covalently Bound to a Synthetic Ligand, 10.25, via a Disulfide Bond
To Be Published
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4GLY
 | | Human urokinase-type plasminogen activator uPA in complex with the two-disulfide bridge peptide UK504 | | Descriptor: | BICYCLIC PEPTIDE INHIBITOR UK504, CHLORIDE ION, GLYCEROL, ... | | Authors: | Buth, S.A, Leiman, P.G, Chen, S, Heinis, C. | | Deposit date: | 2012-08-15 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.518 Å) | | Cite: | Bicyclic Peptide Ligands Pulled out of Cysteine-Rich Peptide Libraries.
J.Am.Chem.Soc., 135, 2013
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8DOX
 | | Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-245 | | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | | Deposit date: | 2022-07-14 | | Release date: | 2022-09-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2.
Nat Commun, 14, 2023
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1O62
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5CWG
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3A8L
 | | Crystal structure of photo-activation state of Nitrile Hydratase mutant S113A | | Descriptor: | FE (III) ION, Nitrile hydratase subunit alpha, Nitrile hydratase subunit beta | | Authors: | Yamanaka, Y, Hashimoto, K, Ohtaki, A, Noguchi, K, Yohda, M, Odaka, M. | | Deposit date: | 2009-10-06 | | Release date: | 2010-04-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Kinetic and structural studies on roles of the serine ligand and a strictly conserved tyrosine residue in nitrile hydratase
J.Biol.Inorg.Chem., 15, 2010
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3A8O
 | | Crystal structure of Nitrile Hydratase complexed with Trimethylacetamide | | Descriptor: | 2,2-dimethylpropanamide, FE (III) ION, Nitrile hydratase subunit alpha, ... | | Authors: | Yamanaka, Y, Hashimoto, K, Ohtaki, A, Noguchi, K, Yohda, M, Odaka, M. | | Deposit date: | 2009-10-07 | | Release date: | 2010-04-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Kinetic and structural studies on roles of the serine ligand and a strictly conserved tyrosine residue in nitrile hydratase
J.Biol.Inorg.Chem., 15, 2010
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1JX9
 | | Penicillin Acylase, mutant | | Descriptor: | CALCIUM ION, penicillin G acylase alpha subunit, penicillin G acylase beta subunit | | Authors: | Hensgens, C.M.H, Keizer, E, Snijder, H.J, Dijkstra, B.W. | | Deposit date: | 2001-09-06 | | Release date: | 2003-09-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural and kinetic studies on ligand binding in wild-type and active-site mutants of penicillin acylase.
Protein Eng.Des.Sel., 17, 2004
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2Z7S
 | | Crystal Structure of the N-terminal Kinase Domain of Human RSK1 bound to Purvalnol A | | Descriptor: | 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL, Ribosomal protein S6 kinase alpha-1 | | Authors: | Ikuta, M, Munshi, S.K. | | Deposit date: | 2007-08-28 | | Release date: | 2008-05-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of the N-terminal kinase domain of human RSK1 bound to three different ligands: Implications for the design of RSK1 specific inhibitors.
Protein Sci., 16, 2007
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1P28
 | | The crystal structure of a pheromone binding protein from the cockroach Leucophaea maderae in complex with a component of the pheromonal blend: 3-hydroxy-butan-2-one. | | Descriptor: | R,3-HYDROXYBUTAN-2-ONE, S,3-HYDROXYBUTAN-2-ONE, pheromone binding protein | | Authors: | Lartigue, A, Gruez, A, Spinelli, S, Riviere, S, Brossut, R, Tegoni, M, Cambillau, C. | | Deposit date: | 2003-04-15 | | Release date: | 2003-08-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | THE CRYSTAL STRUCTURE OF A COCKROACH PHEROMONE-BINDING PROTEIN SUGGESTS A NEW LIGAND BINDING AND RELEASE MECHANISM
J.Biol.Chem., 278, 2003
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1ORG
 | | The crystal structure of a pheromone binding protein from the cockroach Leucophaea maderae reveals a new mechanism of pheromone binding | | Descriptor: | GLYCEROL, pheromone binding protein | | Authors: | Lartigue, A, Gruez, A, Spinelli, S, Riviere, S, Brossut, R, Tegoni, M, Cambillau, C. | | Deposit date: | 2003-03-13 | | Release date: | 2003-08-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | THE CRYSTAL STRUCTURE OF A COCKROACH PHEROMONE-BINDING PROTEIN SUGGESTS A NEW LIGAND BINDING AND RELEASE MECHANISM
J.Biol.Chem., 278, 2003
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2Z7R
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1K7D
 | | Penicillin Acylase with Phenyl Proprionic Acid | | Descriptor: | CALCIUM ION, Penicillin Acylase alpha subunit, R-2-PHENYL-PROPRIONIC ACID, ... | | Authors: | Hensgens, C.M.H, Keizer, E, Snijder, H.J, Dijkstra, B.W. | | Deposit date: | 2001-10-19 | | Release date: | 2003-09-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and kinetic studies on ligand binding in wild-type and active-site mutants of penicillin acylase.
Protein Eng.Des.Sel., 17, 2004
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1K5Q
 | | PENICILLIN ACYLASE, MUTANT COMPLEXED WITH PAA | | Descriptor: | 2-PHENYLACETIC ACID, CALCIUM ION, PENICILLIN G ACYLASE ALPHA SUBUNIT, ... | | Authors: | Hensgens, C.M.H, Keizer, E, Snijder, H.J, Dijkstra, B.W. | | Deposit date: | 2001-10-12 | | Release date: | 2003-09-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structural and kinetic studies on ligand binding in wild-type and active-site mutants of penicillin acylase.
Protein Eng.Des.Sel., 17, 2004
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1K5S
 | | PENICILLIN ACYLASE, MUTANT COMPLEXED WITH PPA | | Descriptor: | CALCIUM ION, PENICILLIN G ACYLASE ALPHA SUBUNIT, PENICILLIN G ACYLASE BETA SUBUNIT, ... | | Authors: | Hensgens, C.M.H, Keizer, E, Snijder, H.J, Dijkstra, B.W. | | Deposit date: | 2001-10-12 | | Release date: | 2003-09-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural and kinetic studies on ligand binding in wild-type and active-site mutants of penicillin acylase.
Protein Eng.Des.Sel., 17, 2004
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1MPR
 | | MALTOPORIN FROM SALMONELLA TYPHIMURIUM | | Descriptor: | CALCIUM ION, MALTOPORIN | | Authors: | Meyer, J.E.W, Schulz, G.E. | | Deposit date: | 1996-12-18 | | Release date: | 1997-03-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of maltoporin from Salmonella typhimurium ligated with a nitrophenyl-maltotrioside.
J.Mol.Biol., 266, 1997
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5OTW
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1KEC
 | | PENICILLIN ACYLASE MUTANT WITH PHENYL PROPRIONIC ACID | | Descriptor: | CALCIUM ION, PENICILLIN ACYLASE ALPHA SUBUNIT, PENICILLIN ACYLASE BETA SUBUNIT, ... | | Authors: | Hensgens, C.M.H, Keizer, E, Snijder, H.J, Dijkstra, B.W. | | Deposit date: | 2001-11-15 | | Release date: | 2003-09-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and kinetic studies on ligand binding in wild-type and active-site mutants of penicillin acylase.
Protein Eng.Des.Sel., 17, 2004
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6L4V
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3A8H
 | | Crystal structure of Nitrile Hydratase mutant S113A complexed with Trimethylacetamide | | Descriptor: | 2,2-dimethylpropanamide, FE (III) ION, Nitrile hydratase subunit alpha, ... | | Authors: | Yamanaka, Y, Hashimoto, K, Ohtaki, A, Noguchi, K, Yohda, M, Odaka, M. | | Deposit date: | 2009-10-06 | | Release date: | 2010-04-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Kinetic and structural studies on roles of the serine ligand and a strictly conserved tyrosine residue in nitrile hydratase
J.Biol.Inorg.Chem., 15, 2010
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6L4W
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1NRV
 | | Crystal structure of the SH2 domain of Grb10 | | Descriptor: | Growth factor receptor-bound protein 10 | | Authors: | Stein, E.G, Hubbard, S.R. | | Deposit date: | 2003-01-25 | | Release date: | 2003-04-15 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural basis for dimerization of the Grb10 Src homology 2 domain. Implications for ligand specificity.
J.Biol.Chem., 278, 2003
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5OTX
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1IUK
 | | The structure of native ID.343 from Thermus thermophilus | | Descriptor: | hypothetical protein TT1466 | | Authors: | Wada, T, Shirouzu, M, Park, S.-Y, Tame, J.R, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-03-05 | | Release date: | 2003-07-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of a conserved CoA-binding protein synthesized by a cell-free system.
Acta Crystallogr.,Sect.D, 59, 2003
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2DUL
 | | Crystal structure of tRNA G26 methyltransferase Trm1 in apo form from Pyrococcus horikoshii | | Descriptor: | GLYCEROL, N(2),N(2)-dimethylguanosine tRNA methyltransferase | | Authors: | Ihsanawati, Shirouzu, M, Bessho, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-07-24 | | Release date: | 2007-01-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of tRNA N(2),N(2)-Guanosine Dimethyltransferase Trm1 from Pyrococcus horikoshii
J.Mol.Biol., 383, 2008
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