2WPA
 
 | | Optimisation of 6,6-Dimethyl Pyrrolo 3,4-c pyrazoles: Identification of PHA-793887, a Potent CDK Inhibitor Suitable for Intravenous Dosing | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDE, ... | | Authors: | Brasca, M.G, Albanese, C, Alzani, R, Amici, R, Avanzi, N, Ballinari, D, Bischoff, J, Borghi, D, Casale, E, Croci, V, Fiorentini, F, Isacchi, A, Mercurio, C, Nesi, M, Orsini, P, Pastori, W, Pesenti, E, Pevarello, P, Roussel, P, Varasi, M, Volpi, D, Vulpetti, A, Ciomei, M. | | Deposit date: | 2009-08-03 | | Release date: | 2010-02-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Optimization of 6,6-Dimethyl Pyrrolo[3,4-C]Pyrazoles: Identification of Pha-793887, a Potent Cdk Inhibitor Suitable for Intravenous Dosing.
Bioorg.Med.Chem., 18, 2010
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1CFN
 | | ANTI-P24 (HIV-1) FAB FRAGMENT CB41 COMPLEXED WITH AN EPITOPE-RELATED PEPTIDE | | Descriptor: | PROTEIN (BOUND PEPTIDE), PROTEIN (IGG2A KAPPA ANTIBODY CB41 (LIGHT CHAIN)), PROTEIN (IGG2A-KAPPA ANTIBODY CB41 (HEAVY CHAIN)) | | Authors: | Keitel, T, Kramer, A, Wessner, H, Scholz, C, Schneider-Mergener, J, Hoehne, W. | | Deposit date: | 1999-03-19 | | Release date: | 1999-03-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystallographic analysis of anti-p24 (HIV-1) monoclonal antibody cross-reactivity and polyspecificity.
Cell(Cambridge,Mass.), 91, 1997
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2WVN
 | | Structure of the HET-s N-terminal domain | | Descriptor: | SMALL S PROTEIN | | Authors: | Greenwald, J, Buhtz, C, Ritter, C, Kwiatkowski, W, Choe, S, Saupe, S.J, Riek, R. | | Deposit date: | 2009-10-19 | | Release date: | 2010-07-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | The Mechanism of Prion Inhibition by Het-S.
Mol.Cell, 38, 2010
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2WVQ
 | | Structure of the HET-s N-terminal domain. Mutant D23A, P33H | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, SMALL S PROTEIN | | Authors: | Greenwald, J, Buhtz, C, Ritter, C, Kwiatkowski, W, Choe, S, Saupe, S.J, Riek, R. | | Deposit date: | 2009-10-19 | | Release date: | 2010-07-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The mechanism of prion inhibition by HET-S.
Mol. Cell, 38, 2010
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2BUN
 | | Solution structure of the BLUF domain of AppA 5-125 | | Descriptor: | APPA, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Grinstead, J.S, Hsu, S.-T, Laan, W, Bonvin, A.M.J.J, Hellingwerf, K.J, Boelens, R, Kaptein, R. | | Deposit date: | 2005-06-15 | | Release date: | 2005-12-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The solution structure of the AppA BLUF domain: insight into the mechanism of light-induced signaling.
Chembiochem, 7, 2006
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2X69
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2CDX
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2CD2
 | | LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+ | | Descriptor: | DIHYDROFOLATE REDUCTASE, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cody, V, Galitsky, N, Rak, D, Luft, J, Pangborn, W, Queener, S. | | Deposit date: | 1999-03-15 | | Release date: | 2000-03-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Biochemistry, 38, 1999
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2C8W
 | | thrombin inhibitors | | Descriptor: | (2S,3R)-N-[5-CHLORO-2-(2,3-DIHYDRO-1H-TETRAZOL-1-YL)BENZYL]-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL]AMINO}-1-PHENYLBUTA N-2-AMINIUM, HIRUDIN VARIANT-2, SODIUM ION, ... | | Authors: | Howard, N, Abell, C, Blakemore, W, Carr, R, Chessari, G, Congreve, M, Howard, S, Jhoti, H, Murray, C.W, Seavers, L.C.A, van Montfort, R.L.M. | | Deposit date: | 2005-12-08 | | Release date: | 2006-07-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
J.Med.Chem., 49, 2006
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2X81
 | | STRUCTURE OF AURORA A IN COMPLEX WITH MLN8054 | | Descriptor: | 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID, SERINE/THREONINE-PROTEIN KINASE 6 | | Authors: | Savory, W, Mueller, I, Mason, C.S, Lamers, M, Williams, D.H, Eyers, P.A. | | Deposit date: | 2010-03-05 | | Release date: | 2010-05-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Drug-Resistant Aurora a Mutants for Cellular Target Validation of the Small Molecule Kinase Inhibitors Mln8054 and Mln8237.
Acs Chem.Biol., 5, 2010
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2C7K
 | | Laue structure of phycoerythrocyanin from Mastigocladus laminosus | | Descriptor: | BILIVERDINE IX ALPHA, PHYCOCYANOBILIN, PHYCOERYTHROCYANIN ALPHA CHAIN, ... | | Authors: | Schmidt, M, Krasselt, A, Reuter, W. | | Deposit date: | 2005-11-24 | | Release date: | 2006-01-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Local Protein Flexibility as a Prerequisite for Reversible Chromophore Isomerization in Alpha-Phycoerythrocyanin
Biochim.Biophys.Acta, 1764, 2006
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2CEZ
 | | Phosphorylation of the Cytoplasmic Tail of Tissue Factor and its Role in Modulating Structure and Binding Affinity | | Descriptor: | TISSUE FACTOR | | Authors: | Sen, M, Agrawal, S, Craft, J.W, Ruf, W, Legge, G.B. | | Deposit date: | 2006-02-13 | | Release date: | 2007-02-20 | | Last modified: | 2019-10-02 | | Method: | SOLUTION NMR | | Cite: | Spectroscopic Characterization of Successive Phosphorylation of the Tissue Factor Cytoplasmic Region.
Open Spectrosc J, 3, 2009
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2X52
 | | CRYSTAL STRUCTURE OF WHEAT GERM AGGLUTININ ISOLECTIN 3 IN COMPLEX WITH A SYNTHETIC DIVALENT CARBOHYDRATE LIGAND | | Descriptor: | AGGLUTININ ISOLECTIN 3, BIS-(2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYLOXYCARBONYL)-4,7,10-TRIOXA-1,13-TRIDECANEDIAMINE, GLYCEROL | | Authors: | Schwefel, D, Maierhofer, C, Wittmann, V, Diederichs, K, Welte, W. | | Deposit date: | 2010-02-05 | | Release date: | 2010-02-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis of Multivalent Binding to Wheat Germ Agglutinin.
J.Am.Chem.Soc., 132, 2010
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2CJ2
 | | chloroperoxidase complexed with formate (sugar cryoprotectant) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLOROPEROXIDASE, ... | | Authors: | Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I. | | Deposit date: | 2006-03-26 | | Release date: | 2006-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006
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2C9A
 | | Crystal structure of the MAM-Ig module of receptor protein tyrosine phosphatase mu | | Descriptor: | 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, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE MU, ... | | Authors: | Aricescu, A.R, Hon, W.C, Siebold, C, Lu, W, Van Der Merwe, P.A, Jones, E.Y. | | Deposit date: | 2005-12-09 | | Release date: | 2006-01-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular Analysis of Receptor Protein Tyrosine Phosphatase Mu-Mediated Cell Adhesion.
Embo J., 25, 2006
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1CCD
 | | REFINED STRUCTURE OF RAT CLARA CELL 17 KDA PROTEIN AT 3.0 ANGSTROMS RESOLUTION | | Descriptor: | CLARA CELL 17 kD PROTEIN, SULFATE ION | | Authors: | Umland, T.C, Swaminathan, S, Furey, W, Singh, G, Pletcher, J, Sax, M. | | Deposit date: | 1991-09-17 | | Release date: | 1994-01-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Refined structure of rat Clara cell 17 kDa protein at 3.0 A resolution.
J.Mol.Biol., 224, 1992
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2CTN
 | | STRUCTURE OF CALCIUM-SATURATED CARDIAC TROPONIN C, NMR, 30 STRUCTURES | | Descriptor: | CALCIUM ION, TROPONIN C | | Authors: | Sia, S.K, Li, M.X, Spyracopoulos, L, Gagne, S.M, Liu, W, Putkey, J.A, Sykes, B.D. | | Deposit date: | 1997-05-06 | | Release date: | 1998-05-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of cardiac muscle troponin C unexpectedly reveals a closed regulatory domain.
J.Biol.Chem., 272, 1997
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2VY9
 | | Molecular architecture of the stressosome, a signal integration and transduction hub | | Descriptor: | ANTI-SIGMA-FACTOR ANTAGONIST | | Authors: | Marles-Wright, J, Grant, T, Delumeau, O, van Duinen, G, Firbank, S.J, Lewis, P.J, Murray, J.W, Newman, J.A, Quin, M.B, Race, P.R, Rohou, A, Tichelaar, W, van Heel, M, Lewis, R.J. | | Deposit date: | 2008-07-21 | | Release date: | 2008-10-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular Architecture of the "Stressosome," a Signal Integration and Transduction Hub
Science, 322, 2008
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2CYK
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8R5J
 | | Crystal structure of MERS-CoV main protease | | Descriptor: | Non-structural protein 11 | | Authors: | Balcomb, B.H, Fairhead, M, Koekemoer, L, Lithgo, R.M, Aschenbrenner, J.C, Chandran, A.V, Godoy, A.S, Lukacik, P, Marples, P.G, Mazzorana, M, Ni, X, Strain-Damerell, C, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-11-16 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Crystal structure of MERS-CoV main protease
To Be Published
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8QW7
 | | Crystal Structure of compound 4 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB | | Descriptor: | (2S,4R)-1-[(2R)-2-[3-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Zollman, D, Farnaby, W, Ciulli, A. | | Deposit date: | 2023-10-18 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
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2CO0
 | | WDR5 and unmodified Histone H3 complex at 2.25 Angstrom | | Descriptor: | HISTONE H3 DIMETHYL-LYSINE 4, WD-REPEAT PROTEIN 5 | | Authors: | Ruthenburg, A.J, Wang, W, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L. | | Deposit date: | 2006-05-25 | | Release date: | 2006-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Histone H3 Recognition and Presentation by the Wdr5 Module of the Mll1 Complex
Nat.Struct.Mol.Biol., 13, 2006
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2CNX
 | | WDR5 and Histone H3 Lysine 4 dimethyl complex at 2.1 angstrom | | Descriptor: | HISTONE H3 DIMETHYL-LYSINE 4, WD-REPEAT PROTEIN 5 | | Authors: | Ruthenburg, A.J, Wang, W, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L. | | Deposit date: | 2006-05-25 | | Release date: | 2006-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Histone H3 Recognition and Presentation by the Wdr5 Module of the Mll1 Complex
Nat.Struct.Mol.Biol., 13, 2006
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168D
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5VDB
 | | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with bisubstrate analog 3 | | Descriptor: | (3R,5S,9R,26S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,20-trioxo-26-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name), SULFATE ION, acetyltransferase PA4794 | | Authors: | Majorek, K.A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2017-04-01 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Generating enzyme and radical-mediated bisubstrates as tools for investigating Gcn5-related N-acetyltransferases.
FEBS Lett., 591, 2017
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