1GJ8
 
 | | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | | Descriptor: | 6-FLUORO-2-(2-HYDROXY-3-ISOBUTOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | | Deposit date: | 2001-04-27 | | Release date: | 2002-04-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
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1IGN
 | | DNA-BINDING DOMAIN OF RAP1 IN COMPLEX WITH TELOMERIC DNA SITE | | Descriptor: | DNA (5'-D(*CP*CP*GP*CP*AP*CP*AP*CP*CP*CP*AP*CP*AP*CP*AP*CP*C P*AP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*GP*TP*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*G P*CP*G)-3'), PROTEIN (RAP1) | | Authors: | Koenig, P, Giraldo, R, Chapman, L, Rhodes, D. | | Deposit date: | 1996-02-29 | | Release date: | 1997-01-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The crystal structure of the DNA-binding domain of yeast RAP1 in complex with telomeric DNA.
Cell(Cambridge,Mass.), 85, 1996
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8OWO
 | | SMYD3 in complex with fragment FL01507 | | Descriptor: | 3-oxidanylbenzenecarbonitrile, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | | Deposit date: | 2023-04-28 | | Release date: | 2023-08-30 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening.
Rsc Med Chem, 15, 2024
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2VRD
 | | THE STRUCTURE OF THE ZINC FINGER FROM THE HUMAN SPLICEOSOMAL PROTEIN U1C | | Descriptor: | U1 SMALL NUCLEAR RIBONUCLEOPROTEIN C, ZINC ION | | Authors: | Muto, Y, Pomeranz-Krummel, D, Oubridge, C, Hernandez, H, Robinson, C, Neuhaus, D, Nagai, K. | | Deposit date: | 2008-03-31 | | Release date: | 2008-04-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The Structure and Biochemical Properties of the Human Spliceosomal Protein U1C
J.Mol.Biol., 341, 2004
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1GJA
 | | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | | Descriptor: | CITRIC ACID, N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-BENZAMIDE, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | | Deposit date: | 2001-04-27 | | Release date: | 2002-04-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
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1GJ5
 | | SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN | | Descriptor: | 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ... | | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | | Deposit date: | 2001-04-27 | | Release date: | 2002-04-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
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1XYM
 | | THE ROLE OF THE DIVALENT METAL ION IN SUGAR BINDING, RING OPENING, AND ISOMERIZATION BY D-XYLOSE ISOMERASE: REPLACEMENT OF A CATALYTIC METAL BY AN AMINO-ACID | | Descriptor: | D-glucose, HYDROXIDE ION, MAGNESIUM ION, ... | | Authors: | Allen, K.N, Lavie, A, Petsko, G.A, Ringe, D. | | Deposit date: | 1993-12-07 | | Release date: | 1994-05-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of the divalent metal ion in sugar binding, ring opening, and isomerization by D-xylose isomerase: replacement of a catalytic metal by an amino acid.
Biochemistry, 33, 1994
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5LPK
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4AE8
 | | Crystal structure of human THEM4 | | Descriptor: | THIOESTERASE SUPERFAMILY MEMBER 4 | | Authors: | Zhuravleva, E, Gut, H, Hynx, D, Marcellin, D, Bleck, C.K.E, Genoud, C, Cron, P, Keusch, J.J, Dummler, B, Degli Esposti, M, Hemmings, B.A. | | Deposit date: | 2012-01-09 | | Release date: | 2012-07-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.594 Å) | | Cite: | Acyl Coenzyme a Thioesterase Them5/Acot15 is Involved in Cardiolipin Remodeling and Fatty Liver Development.
Mol.Cell.Biol., 32, 2012
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5LVX
 | | Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator | | Descriptor: | 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zheng, J, Chen, L, Skinner, O.S, Lansbury, P, Skerlj, R, Mrosek, M, Heunisch, U, Krapp, S, Weigand, S, Charrow, J, Schwake, M, Kelleher, N.L, Silverman, R.B, Krainc, D. | | Deposit date: | 2016-09-14 | | Release date: | 2017-10-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | beta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site.
J. Am. Chem. Soc., 140, 2018
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1AIW
 | | NMR STRUCTURES OF THE CELLULOSE-BINDING DOMAIN OF THE ENDOGLUCANASE Z FROM ERWINIA CHRYSANTHEMI, 23 STRUCTURES | | Descriptor: | ENDOGLUCANASE Z | | Authors: | Brun, E, Moriaud, F, Gans, P, Blackledge, M.J, Barras, F, Marion, D. | | Deposit date: | 1997-04-30 | | Release date: | 1998-05-06 | | Last modified: | 2024-06-05 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the cellulose-binding domain of the endoglucanase Z secreted by Erwinia chrysanthemi.
Biochemistry, 36, 1997
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1YQ4
 | | Avian respiratory complex ii with 3-nitropropionate and ubiquinone | | Descriptor: | 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, 3-NITROPROPANOIC ACID, Coenzyme Q10, ... | | Authors: | Huang, L, Sun, G, Cobessi, D, Wang, A, Shen, J.T, Tung, E.Y, Anderson, V.E, Berry, E.A. | | Deposit date: | 2005-02-01 | | Release date: | 2005-12-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | 3-Nitropropionic Acid Is a Suicide Inhibitor of Mitochondrial Respiration That, upon Oxidation by Complex II, Forms a Covalent Adduct with a Catalytic Base Arginine in the Active Site of the Enzyme
J.Biol.Chem., 281, 2006
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4A0Y
 | | Structure of the global transcription regulator FapR from Staphylococcus aureus | | Descriptor: | CHLORIDE ION, TRANSCRIPTION FACTOR FAPR | | Authors: | Albanesi, D, Guerin, M.E, Buschiazzo, A, de Mendoza, D, Alzari, P.M. | | Deposit date: | 2011-09-13 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis for Feed-Forward Transcriptional Regulation of Membrane Lipid Homeostasis in Staphylococcus Aureus.
Plos Pathog., 9, 2013
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4AP5
 | | Crystal structure of human POFUT2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 2, ... | | Authors: | Chen, C, Keusch, J.J, Klein, D, Hess, D, Hofsteenge, J, Gut, H. | | Deposit date: | 2012-03-30 | | Release date: | 2012-08-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.003 Å) | | Cite: | Structure of Human Pofut2: Insights Into Thrombospondin Type 1 Repeat Fold and O-Fucosylation.
Embo J., 31, 2012
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3UX8
 | | Crystal structure of UvrA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Excinuclease ABC, A subunit, ... | | Authors: | Samuels, M.A, Pakotiprapha, D, Jeruzalmi, D. | | Deposit date: | 2011-12-04 | | Release date: | 2012-02-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and mechanism of the UvrA-UvrB DNA damage sensor.
Nat.Struct.Mol.Biol., 19, 2012
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5N1V
 | | Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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8PZO
 | | LpdD | | Descriptor: | Protein LpdD, SODIUM ION | | Authors: | Gahloth, D, Leys, D. | | Deposit date: | 2023-07-27 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of LpdD from Lactobacillus plantarum.
To Be Published
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2VSZ
 | | Crystal Structure of the ELMO1 PH domain | | Descriptor: | ENGULFMENT AND CELL MOTILITY PROTEIN 1 | | Authors: | Komander, D, Patel, M, Barford, D, Cote, J.-F. | | Deposit date: | 2008-05-01 | | Release date: | 2009-03-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | An Alpha-Helical Extension of the Elmo1 Pleckstrin Homology Domain Mediates Direct Interaction to Dock180 and is Critical in Rac Signaling.
Molecular Biology of the Cell, 19, 2008
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8PZH
 | | LpdD (H61A) mutant | | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, Protein LpdD | | Authors: | Gahloth, D, Leys, D. | | Deposit date: | 2023-07-27 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structure of LpdD (H61A) mutant from Lactobacillus plantarum.
To Be Published
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1JUF
 | | Structure of Minor Histocompatibility Antigen peptide, H13b, complexed to H2-Db | | Descriptor: | Beta-2-microglobulin, H13b peptide, H2-Db major histocompatibility antigen | | Authors: | Ostrov, D.A, Roden, M.M, Shi, W, Palmieri, E, Christianson, G.J, Mendoza, L, Villaflor, G, Tilley, D, Shastri, N, Grey, H, Almo, S.C, Roopenian, D.C, Nathenson, S.G. | | Deposit date: | 2001-08-24 | | Release date: | 2002-03-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | How H13 histocompatibility peptides differing by a single methyl group and lacking conventional MHC binding anchor motifs determine self-nonself discrimination.
J.Immunol., 168, 2002
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5N20
 | | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | | Descriptor: | B-cell lymphoma 6 protein, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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1D4M
 | | THE CRYSTAL STRUCTURE OF COXSACKIEVIRUS A9 TO 2.9 A RESOLUTION | | Descriptor: | 5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE, MYRISTIC ACID, PROTEIN (COXSACKIEVIRUS A9) | | Authors: | Hendry, E, Hatanaka, H, Fry, E, Smyth, M, Tate, J, Stanway, G, Santti, J, Maaronen, M, Hyypia, T, Stuart, D. | | Deposit date: | 1999-10-04 | | Release date: | 1999-12-23 | | Last modified: | 2023-05-31 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The crystal structure of coxsackievirus A9: new insights into the uncoating mechanisms of enteroviruses.
Structure Fold.Des., 7, 1999
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4AFQ
 | | Human Chymase - Fynomer Complex | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHYMASE, CITRATE ANION, ... | | Authors: | Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M. | | Deposit date: | 2012-01-23 | | Release date: | 2012-07-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain.
Mabs, 4, 2012
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4AQY
 | | Structure of ribosome-apramycin complexes | | Descriptor: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | | Authors: | Matt, T, Ng, C.L, Lang, K, Sha, S.H, Akbergenov, R, Shcherbakov, D, Meyer, M, Duscha, S, Xie, J, Dubbaka, S.R, Perez-Fernandez, D, Vasella, A, Ramakrishnan, V, Schacht, J, Bottger, E.C. | | Deposit date: | 2012-04-20 | | Release date: | 2012-07-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Dissociation of Antibacterial Activity and Aminoglycoside Ototoxicity in the 4-Monosubstituted 2-Deoxystreptamine Apramycin.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1RPC
 | | SOLUTION STRUCTURE OF RP 71955, A NEW 21 AMINO ACID TRICYCLIC PEPTIDE ACTIVE AGAINST HIV-1 VIRUS | | Descriptor: | Tricyclic peptide RP 71955 | | Authors: | Frechet, D, Guitton, J.D, Herman, F, Faucher, D, Helynck, G, Monegier Du Sorbier, B, Ridoux, J.P, James-Surcouf, E, Vuilhorgne, M. | | Deposit date: | 1993-08-31 | | Release date: | 1994-01-31 | | Last modified: | 2024-06-05 | | Method: | SOLUTION NMR | | Cite: | Solution structure of RP 71955, a new 21 amino acid tricyclic peptide active against HIV-1 virus.
Biochemistry, 33, 1994
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