5ABF
 
 | | Structure of GH84 with ligand | | Descriptor: | 1,2-ETHANEDIOL, 2-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ... | | Authors: | Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R. | | Deposit date: | 2015-08-05 | | Release date: | 2015-11-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
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3E1I
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1V1K
 | | CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR | | Descriptor: | (2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Beattie, J.F, Breault, G.A, Ellston, R.P.A, Green, S, Jewsbury, P.J, Midgley, C.J, Naven, R.T, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | | Deposit date: | 2004-04-16 | | Release date: | 2004-05-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
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1QQK
 | | THE CRYSTAL STRUCTURE OF FIBROBLAST GROWTH FACTOR 7 (KERATINOCYTE GROWTH FACTOR) | | Descriptor: | FIBROBLAST GROWTH FACTOR 7 | | Authors: | Ye, S, Luo, Y, Pelletier, H, McKeehan, W.L. | | Deposit date: | 1999-06-07 | | Release date: | 2000-01-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis for interaction of FGF-1, FGF-2, and FGF-7 with different heparan sulfate motifs.
Biochemistry, 40, 2001
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1HP8
 | | SOLUTION STRUCTURE OF HUMAN P8-MTCP1, A CYSTEINE-RICH PROTEIN ENCODED BY THE MTCP1 ONCOGENE,REVEALS A NEW ALPHA-HELICAL ASSEMBLY MOTIF, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | Cx9C motif-containing protein 4 | | Authors: | Barthe, P, Chiche, L, Strub, M.P, Roumestand, C. | | Deposit date: | 1997-08-26 | | Release date: | 1998-03-04 | | Last modified: | 2019-08-21 | | Method: | SOLUTION NMR | | Cite: | Solution structure of human p8MTCP1, a cysteine-rich protein encoded by the MTCP1 oncogene, reveals a new alpha-helical assembly motif.
J.Mol.Biol., 274, 1997
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5V5Z
 | | Structure of CYP51 from the pathogen Candida albicans | | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C. | | Deposit date: | 2017-03-15 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery.
Antimicrob.Agents Chemother., 62, 2018
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5BML
 | | ROCK 1 bound to a pyridine thiazole inhibitor | | Descriptor: | N-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide, Rho-associated protein kinase 1 | | Authors: | Jacobs, M.D. | | Deposit date: | 2015-05-22 | | Release date: | 2015-06-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.
J.Med.Chem., 58, 2015
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3FL3
 | | X-ray structure of the ligand free non covalent swapped form of the A19P/Q28L/K31C/S32C mutant of bovine pancreatic ribonuclease | | Descriptor: | Ribonuclease pancreatic, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | | Authors: | Merlino, A, Russo Krauss, I, Perillo, M, Mattia, C.A, Ercole, C, Picone, D, Vergara, A, Sica, F. | | Deposit date: | 2008-12-18 | | Release date: | 2009-03-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Toward an antitumor form of bovine pancreatic ribonuclease: The crystal structure of three noncovalent dimeric mutants
Biopolymers, 91, 2009
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1O8B
 | | Structure of Escherichia coli ribose-5-phosphate isomerase, RpiA, complexed with arabinose-5-phosphate. | | Descriptor: | 5-O-phosphono-beta-D-arabinofuranose, RIBOSE 5-PHOSPHATE ISOMERASE | | Authors: | Zhang, R.-g, Andersson, C.E, Savchenko, A, Skarina, T, Evdokimova, E, Beasley, S, Arrowsmith, C.H, Edwards, A.M, Joachimiak, A, Mowbray, S.L, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2002-11-26 | | Release date: | 2003-01-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structure of Escherichia Coli Ribose-5-Phosphate Isomerase: A Ubiquitous Enzyme of the Pentose Phosphate Pathway and the Calvin Cycle
Structure, 11, 2003
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3F9D
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5DFC
 | | Crystal structure of BRD2(BD2) W370F mutant with ligand I-BET 762 bound | | Descriptor: | 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 2, GLYCEROL, ... | | Authors: | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | | Deposit date: | 2015-08-26 | | Release date: | 2015-11-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
J.Med.Chem., 59, 2016
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5U4C
 | | Wild-type Transthyretin in complex with 3-[(1E)-2-(4-Boronic acid)ethenyl]benzoic Acid | | Descriptor: | 3-[(E)-2-(4-boronophenyl)ethenyl]benzoic acid, Transthyretin | | Authors: | Windsor, I.W, Smith, T.P, Raines, R.T, Forest, K.T. | | Deposit date: | 2016-12-03 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
J. Med. Chem., 60, 2017
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1URW
 | | CDK2 IN COMPLEX WITH AN IMIDAZO[1,2-b]PYRIDAZINE | | Descriptor: | 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Byth, K.F, Cooper, N, Culshaw, J.D, Heaton, D.W, Oakes, S.E, Minshull, C.A, Norman, R.A, Pauptit, R.A, Tucker, J.A, Breed, J, Pannifer, A, Rowsell, S, Stanway, J.J, Valentine, A.L, Thomas, A.P. | | Deposit date: | 2003-11-11 | | Release date: | 2004-04-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Imidazo[1,2-B]Pyridazines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
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3BJH
 | | Soft-SAD crystal structure of a pheromone binding protein from the honeybee Apis mellifera L. | | Descriptor: | GLYCEROL, N-BUTYL-BENZENESULFONAMIDE, Pheromone-binding protein ASP1 | | Authors: | Lartigue, A, Gruez, A, Briand, L, Blon, F, Bezirard, V, Walsh, M, Pernollet, J.C, Tegoni, M, Cambillau, C. | | Deposit date: | 2007-12-04 | | Release date: | 2007-12-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Sulfur single-wavelength anomalous diffraction crystal structure of a pheromone-binding protein from the honeybee Apis mellifera L.
J.Biol.Chem., 279, 2004
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5UXS
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3GXR
 | | The crystal structure of g-type lysozyme from Atlantic cod (Gadus morhua L.) in complex with NAG oligomers sheds new light on substrate binding and the catalytic mechanism. Structure with NAG to 1.7 | | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Goose-type lysozyme 1 | | Authors: | Helland, R, Larsen, R.L, Finstad, S, Kyomuhendo, P, Larsen, A.N. | | Deposit date: | 2009-04-02 | | Release date: | 2009-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of g-type lysozyme from Atlantic cod shed new light on substrate binding and the catalytic mechanism.
Cell.Mol.Life Sci., 66, 2009
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1RJ4
 | | Structure of a Cell Wall Invertase Inhibitor from Tobacco in Complex with Cd2+ | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, invertase inhibitor | | Authors: | Hothorn, M, D'Angelo, I, Marquez, J.A, Greiner, S, Scheffzek, K. | | Deposit date: | 2003-11-18 | | Release date: | 2004-02-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The invertase inhibitor Nt-CIF from tobacco: a highly thermostable four-helix bundle with an unusual N-terminal extension
J.Mol.Biol., 335, 2004
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2FEI
 | | Solution structure of the second SH3 domain of Human CMS protein | | Descriptor: | CD2-associated protein | | Authors: | Yao, B, Dai, H, Jiao, Y, Wu, J, Shi, Y. | | Deposit date: | 2005-12-15 | | Release date: | 2006-12-05 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the second SH3 domain of human CMS and a newly identified binding site at the C-terminus of c-Cbl
Biochim.Biophys.Acta, 1774, 2007
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5VGW
 | | RNA hairpin structure containing tetraloop/receptor motif | | Descriptor: | RNA (5'-R(*CP*UP*GP*CP*UP*GP*GP*CP*UP*AP*AP*GP*GP*CP*CP*CP*GP*AP*AP*AP*GP*G)-3'), RNA (5'-R(P*GP*CP*UP*AP*UP*GP*CP*CP*UP*GP*CP*UP*G)-3') | | Authors: | Zhang, W, Szostak, J.W. | | Deposit date: | 2017-04-11 | | Release date: | 2018-02-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide.
J. Am. Chem. Soc., 140, 2018
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2FUA
 | | L-FUCULOSE 1-PHOSPHATE ALDOLASE CRYSTAL FORM T WITH COBALT | | Descriptor: | BETA-MERCAPTOETHANOL, COBALT (II) ION, L-FUCULOSE-1-PHOSPHATE ALDOLASE, ... | | Authors: | Dreyer, M.K, Schulz, G.E. | | Deposit date: | 1996-02-14 | | Release date: | 1996-10-14 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Refined high-resolution structure of the metal-ion dependent L-fuculose-1-phosphate aldolase (class II) from Escherichia coli.
Acta Crystallogr.,Sect.D, 52, 1996
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2FIK
 | | Structure of a microbial glycosphingolipid bound to mouse CD1d | | Descriptor: | (2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-D-GALACTOPYRANOSIDURONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wu, D, Zajonc, D.M. | | Deposit date: | 2005-12-29 | | Release date: | 2006-03-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design of natural killer T cell activators: structure and function of a microbial glycosphingolipid bound to mouse CD1d.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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1TJ2
 | | Crystal structure of E. coli PutA proline dehydrogenase domain (residues 86-669) complexed with acetate | | Descriptor: | ACETATE ION, Bifunctional putA protein, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Tanner, J.J, Zhang, M, White, T.A, Schuermann, J.P, Baban, B.A, Becker, D.F. | | Deposit date: | 2004-06-03 | | Release date: | 2004-10-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structures of the Escherichia coli PutA proline dehydrogenase domain in complex with competitive inhibitors
Biochemistry, 43, 2004
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5E1W
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1T32
 | | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | | Descriptor: | 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, Cathepsin G, SULFATE ION | | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E. | | Deposit date: | 2004-04-23 | | Release date: | 2005-03-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo.
J.Biol.Chem., 280, 2005
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5UXZ
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