3SHE
 
 | | Novel ATP-competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series | | Descriptor: | MAP kinase-activated protein kinase 3, N-{4-[(3S)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-c]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide | | Authors: | Oubrie, A, Kazemier, B. | | Deposit date: | 2011-06-16 | | Release date: | 2011-12-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Novel ATP competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series.
Bioorg.Med.Chem.Lett., 22, 2012
|
|
2R64
 | | Crystal structure of a 3-aminoindazole compound with CDK2 | | Descriptor: | Cell division protein kinase 2, N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE | | Authors: | Lee, J, Choi, H, Kim, K.H, Jeong, S, Park, J.W, Baek, C.S, Lee, S.H. | | Deposit date: | 2007-09-05 | | Release date: | 2008-09-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis and biological evaluation of 3,5-diaminoindazoles as cyclin-dependent kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
|
|
1JJ3
 | |
3HKO
 | | Crystal structure of a cdpk kinase domain from cryptosporidium Parvum, cgd7_40 | | Descriptor: | Calcium/calmodulin-dependent protein kinase with a kinase domain and 2 calmodulin-like EF hands, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Wernimont, A.K, Hutchinson, A, Wasney, G, Vedadi, M, MacKenzie, F, Kozieradzki, I, Cossar, D, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Botchkarev, A, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-05-25 | | Release date: | 2009-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a cdpk kinase domain from cryptosporidium Parvum, cgd7_40
To be Published
|
|
1JKT
 | | TETRAGONAL CRYSTAL FORM OF A CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE | | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE | | Authors: | Tereshko, V, Teplova, M, Brunzelle, J, Watterson, D.M, Egli, M. | | Deposit date: | 2001-07-13 | | Release date: | 2002-04-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Crystal structures of the catalytic domain of human protein kinase associated with apoptosis and tumor suppression.
Nat.Struct.Biol., 8, 2001
|
|
1JL2
 | |
1X6B
 | | Solution structures of the SH3 domain of human rho guanine exchange factor (GEF) 16 | | Descriptor: | Rho guanine exchange factor (GEF) 16 | | Authors: | Sato, M, Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-05-17 | | Release date: | 2005-11-17 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the SH3 domain of human rho guanine exchange factor (GEF) 16
To be Published
|
|
2XIX
 | | Protein kinase Pim-1 in complex with fragment-1 from crystallographic fragment screen | | Descriptor: | 3,5-DIAMINO-1H-[1,2,4]TRIAZOLE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | Deposit date: | 2010-07-01 | | Release date: | 2011-02-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
|
|
1X6H
 | | Solution structures of the C2H2 type zinc finger domain of human Transcriptional repressor CTCF | | Descriptor: | Transcriptional repressor CTCF, ZINC ION | | Authors: | Sato, M, Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-05-17 | | Release date: | 2005-11-17 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the C2H2 type zinc finger domain of human Transcriptional repressor CTCF
To be Published
|
|
2XJ2
 | | Protein kinase Pim-1 in complex with small molecule inhibitor | | Descriptor: | (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | Deposit date: | 2010-07-01 | | Release date: | 2011-02-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
|
|
2D3W
 | | Crystal Structure of Escherichia coli SufC, an ATPase compenent of the SUF iron-sulfur cluster assembly machinery | | Descriptor: | Probable ATP-dependent transporter sufC | | Authors: | Kitaoka, S, Wada, K, Hasegawa, Y, Minami, Y, Takahashi, Y, Fukuyama, K. | | Deposit date: | 2005-10-03 | | Release date: | 2006-01-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of Escherichia coli SufC, an ABC-type ATPase component of the SUF iron-sulfur cluster assembly machinery
Febs Lett., 580, 2006
|
|
1JIP
 | | P450eryF(A245S)/ketoconazole | | Descriptor: | CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE, CYTOCHROME P450 107A1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Cupp-Vickery, J.R, Garcia, C, Hofacre, A, McGee-Estrada, K. | | Deposit date: | 2001-07-02 | | Release date: | 2001-10-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Ketoconazole-induced conformational changes in the active site of cytochrome P450eryF.
J.Mol.Biol., 311, 2001
|
|
2D4K
 | |
2XIY
 | | Protein kinase Pim-1 in complex with fragment-2 from crystallographic fragment screen | | Descriptor: | 2-HYDROXYMETHYL-BENZOIMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | Deposit date: | 2010-07-01 | | Release date: | 2011-02-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
|
|
1QNJ
 | | THE STRUCTURE OF NATIVE PORCINE PANCREATIC ELASTASE AT ATOMIC RESOLUTION (1.1 A) | | Descriptor: | ELASTASE, SODIUM ION, SULFATE ION | | Authors: | Wurtele, M, Hahn, M, Hilpert, K, Hohne, W. | | Deposit date: | 1999-10-15 | | Release date: | 2000-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Atomic Resolution Structure of Native Porcine Pancreatic Elastase at 1.1 A
Acta Crystallogr.,Sect.D, 56, 2000
|
|
1X8V
 | | Estriol-bound and ligand-free structures of sterol 14alpha-demethylase (CYP51) | | Descriptor: | Cytochrome P450 51, ESTRIOL, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Podust, L.M, Yermalitskaya, L.V, Lepesheva, G.I, Podust, V.N, Dalmasso, E.A, Waterman, M.R. | | Deposit date: | 2004-08-18 | | Release date: | 2004-11-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Estriol Bound and Ligand-free Structures of Sterol 14alpha-Demethylase.
Structure, 12, 2004
|
|
1JZU
 | | Cell transformation by the myc oncogene activates expression of a lipocalin: analysis of the gene (Q83) and solution structure of its protein product | | Descriptor: | lipocalin Q83 | | Authors: | Hartl, M, Matt, T, Schueler, W, Siemeister, G, Kontaxis, G, Kloiber, K, Konrat, R, Bister, K. | | Deposit date: | 2001-09-17 | | Release date: | 2003-07-15 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | Cell Transformation by the v-myc Oncogene Abrogates c-Myc/Max-mediated Suppression of a
C/EBPbeta-dependent Lipocalin Gene.
J.Mol.Biol., 333, 2003
|
|
1X8B
 | | Structure of human Wee1A kinase: kinase domain complexed with inhibitor PD0407824 | | Descriptor: | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, MAGNESIUM ION, Wee1-like protein kinase | | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | | Deposit date: | 2004-08-17 | | Release date: | 2005-06-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structure and inhibition of the human cell cycle checkpoint kinase, Wee1A kinase: an atypical tyrosine kinase with a key role in CDK1 regulation
Structure, 13, 2005
|
|
1K1K
 | | Structure of Mutant Human Carbonmonoxyhemoglobin C (beta E6K) at 2.0 Angstrom Resolution in Phosphate Buffer. | | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN ALPHA CHAIN, HEMOGLOBIN BETA CHAIN, ... | | Authors: | Dewan, J.C, Taylor-Feeling, A, Puius, Y.A, Patskovska, L, Patskovsky, Y, Nagel, R.L, Almo, S.C, Hirsch, R.E. | | Deposit date: | 2001-09-25 | | Release date: | 2002-12-04 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of mutant human carbonmonoxyhemoglobin C (betaE6K) at 2.0 A resolution.
Acta Crystallogr.,Sect.D, 58, 2002
|
|
1X8U
 | | Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Carboxymycobactin T | | Descriptor: | CARBOXYMYCOBACTIN T, Neutrophil gelatinase-associated lipocalin | | Authors: | Holmes, M.A, Paulsene, W, Jide, X, Ratledge, C, Strong, R.K. | | Deposit date: | 2004-08-18 | | Release date: | 2005-01-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Siderocalin (Lcn 2) Also Binds Carboxymycobactins, Potentially Defending against Mycobacterial Infections through Iron Sequestration
Structure, 13, 2005
|
|
2D9P
 | | Solution structure of RNA binding domain 4 in Polyadenylation binding protein 3 | | Descriptor: | Polyadenylate-binding protein 3 | | Authors: | Tsuda, K, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-12-12 | | Release date: | 2006-06-12 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of RNA binding domain 4 in Polyadenylation binding
protein 3
To be Published
|
|
2D2M
 | | Structure of an extracellular giant hemoglobin of the gutless beard worm Oligobrachia mashikoi | | Descriptor: | Giant hemoglobin, A1(b) globin chain, A2(a5) globin chain, ... | | Authors: | Numoto, N, Nakagawa, T, Kita, A, Sasayama, Y, Fukumori, Y, Miki, K. | | Deposit date: | 2005-09-12 | | Release date: | 2005-10-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structure of an extracellular giant hemoglobin of the gutless beard worm Oligobrachia mashikoi.
Proc.Natl.Acad.Sci.USA, 102, 2005
|
|
1K1O
 | | BOVINE TRYPSIN-INHIBITOR COMPLEX | | Descriptor: | CALCIUM ION, TRYPSIN, {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID | | Authors: | Stubbs, M.T. | | Deposit date: | 2001-09-25 | | Release date: | 2001-11-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
|
|
3HL7
 | | Crystal Structure of Human p38alpha complexed with SD-0006 | | Descriptor: | 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol, Mitogen-activated protein kinase 14 | | Authors: | Shieh, H.-S, Kurumbail, R.G, Stegeman, R.A, Williams, J.M. | | Deposit date: | 2009-05-26 | | Release date: | 2009-07-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804.
Biochemistry, 48, 2009
|
|
1K1U
 | | Combining Mutations in HIV-1 Protease to Understand Mechanisms of Resistance | | Descriptor: | N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE RETROPEPSIN | | Authors: | Mahalingam, B, Boross, P, Wang, Y.-F, Louis, J.M, Fischer, C, Tozser, J, W Harrison, R, Weber, I.T. | | Deposit date: | 2001-09-25 | | Release date: | 2002-07-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Combining mutations in HIV-1 protease to understand mechanisms of resistance.
Proteins, 48, 2002
|
|
