1IFB
 
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1Y5B
 | | Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant | | Descriptor: | 2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL, CALCIUM ION, IMIDAZOLE, ... | | Authors: | Di Fenza, A, Heine, A, Klebe, G. | | Deposit date: | 2004-12-02 | | Release date: | 2005-12-13 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions
Chemmedchem, 2, 2007
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1J3H
 | | Crystal structure of apoenzyme cAMP-dependent protein kinase catalytic subunit | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase, alpha-catalytic subunit | | Authors: | Akamine, P, Madhusudan, Wu, J, Xuong, N.H, Ten Eyck, L.F, Taylor, S.S. | | Deposit date: | 2003-01-31 | | Release date: | 2003-03-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Dynamic Features of cAMP-dependent Protein Kinase Revealed by Apoenzyme Crystal Structure
J.Mol.Biol., 327, 2003
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1J3Z
 | | Direct observation of photolysis-induced tertiary structural changes in human haemoglobin; Crystal structure of alpha(Fe-CO)-beta(Ni) hemoglobin (laser unphotolysed) | | Descriptor: | BUT-2-ENEDIAL, CARBON MONOXIDE, Hemoglobin alpha Chain, ... | | Authors: | Adachi, S, Park, S.-Y, Tame, J.R.H, Shiro, Y, Shibayama, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-02-21 | | Release date: | 2003-07-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Direct observation of photolysis-induced tertiary structural changes in hemoglobin
Proc.Natl.Acad.Sci.USA, 100, 2003
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1IDN
 | | MAC-1 I DOMAIN METAL FREE | | Descriptor: | CD11B | | Authors: | Baldwin, E.T. | | Deposit date: | 1998-06-10 | | Release date: | 1998-11-04 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Cation binding to the integrin CD11b I domain and activation model assessment
Structure, 6, 1998
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1Y0C
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1Y8Y
 | | Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor | | Descriptor: | (5-CHLOROPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)-(4-METHANESULFONYLPHENYL)AMINE, Cell division protein kinase 2 | | Authors: | Williamson, D.S, Parratt, M.J, Torrance, C.J, Bower, J.F, Moore, J.D, Richardson, C.M, Dokurno, P, Cansfield, A.D, Francis, G.L, Hebdon, R.J, Howes, R, Jackson, P.S, Lockie, A.M, Murray, J.B, Nunns, C.L, Powles, J, Robertson, A, Surgenor, A.E. | | Deposit date: | 2004-12-14 | | Release date: | 2005-02-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.996 Å) | | Cite: | Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2.
Bioorg.Med.Chem.Lett., 15, 2005
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1Y91
 | | Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor | | Descriptor: | 4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE, Cell division protein kinase 2 | | Authors: | Williamson, D.S, Parratt, M.J, Torrance, C.J, Bower, J.F, Moore, J.D, Richardson, C.M, Dokurno, P, Cansfield, A.D, Francis, G.L, Hebdon, R.J, Howes, R, Jackson, P.S, Lockie, A.M, Murray, J.B, Nunns, C.L, Powles, J, Robertson, A, Surgenor, A.E. | | Deposit date: | 2004-12-14 | | Release date: | 2005-02-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2.
Bioorg.Med.Chem.Lett., 15, 2005
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1IOP
 | | INCORPORATION OF A HEMIN WITH THE SHORTEST ACID SIDE-CHAINS INTO MYOGLOBIN | | Descriptor: | 6,7-DICARBOXYL-1,2,3,4,5,8-HEXAMETHYLHEMIN, CYANIDE ION, MYOGLOBIN, ... | | Authors: | Igarashi, N, Neya, S, Funasaki, N, Tanaka, N. | | Deposit date: | 1997-12-12 | | Release date: | 1998-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and function of 6,7-dicarboxyheme-substituted myoglobin
Biochemistry, 37, 1998
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2A1N
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3H9O
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3TIZ
 | | CDK2 in complex with NSC 111848 | | Descriptor: | 1,2-ETHANEDIOL, 1-{(E)-[(4-hydroxyphenyl)imino]methyl}naphthalen-2-ol, Cyclin-dependent kinase 2 | | Authors: | Alam, R, Schonbrunn, E. | | Deposit date: | 2011-08-22 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2.
Chembiochem, 13, 2012
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2A32
 | | Trypsin in complex with benzene boronic acid | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, BORATE ION, CALCIUM ION, ... | | Authors: | Transue, T.R, Gabel, S.A, London, R.E. | | Deposit date: | 2005-06-23 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | NMR and crystallographic characterization of adventitious borate binding by trypsin.
Bioconjug.Chem., 17, 2006
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1IIZ
 | | Crystal Structure of the Induced Antibacterial Protein from Tasar Silkworm, Antheraea mylitta | | Descriptor: | LYSOZYME | | Authors: | Jain, D, Nair, D.T, Swaminathan, G.J, Abraham, E.G, Nagaraju, J, Salunke, D.M. | | Deposit date: | 2001-04-24 | | Release date: | 2001-12-12 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the induced antibacterial protein from tasar silkworm, Antheraea mylitta. Implications to molecular evolution.
J.Biol.Chem., 276, 2001
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1IP7
 | | G129A HUMAN LYSOZYME | | Descriptor: | LYSOZYME C, SODIUM ION | | Authors: | Takano, K, Yamagata, Y, Yutani, K. | | Deposit date: | 2001-04-20 | | Release date: | 2001-11-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Role of amino acid residues in left-handed helical conformation for the conformational stability of a protein.
Proteins, 45, 2001
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1Y4Q
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2A4L
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1Y5F
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1YHE
 | | T-To-T(High) quaternary transitions in human hemoglobin: HbA OXY (5.0MM IHP, 20% PEG) (10 test sets) | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | | Deposit date: | 2005-01-07 | | Release date: | 2005-01-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
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1YHS
 | | Crystal structure of Pim-1 bound to staurosporine | | Descriptor: | Proto-oncogene serine/threonine-protein kinase Pim-1, STAUROSPORINE | | Authors: | Jacobs, M.D, Black, J, Futer, O, Swenson, L, Hare, B, Fleming, M, Saxena, K. | | Deposit date: | 2005-01-10 | | Release date: | 2005-01-25 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002.
J.Biol.Chem., 280, 2005
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1KLC
 | | SOLUTION STRUCTURE OF TGF-B1, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | TRANSFORMING GROWTH FACTOR-BETA 1 | | Authors: | Hinck, A.P, Archer, S.J, Qian, S.W, Roberts, A.B, Sporn, M.B, Weatherbee, J.A, Tsang, M.L.-S, Lucas, R, Zhang, B.-L, Wenker, J, Torchia, D.A. | | Deposit date: | 1996-01-16 | | Release date: | 1996-08-17 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Transforming growth factor beta 1: three-dimensional structure in solution and comparison with the X-ray structure of transforming growth factor beta 2.
Biochemistry, 35, 1996
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2WU6
 | | Crystal Structure of the Human CLK3 in complex with DKI | | Descriptor: | 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CHLORIDE ION, ... | | Authors: | Muniz, J.R.C, Fedorov, O, King, O, Filippakopoulos, P, Bullock, A.N, Philips, C, Heightman, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S. | | Deposit date: | 2009-09-30 | | Release date: | 2009-10-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing.
Chem.Biol, 18, 2011
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2A6U
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1KWP
 | | Crystal Structure of MAPKAP2 | | Descriptor: | MAP Kinase Activated Protein Kinase 2, MERCURY (II) ION | | Authors: | Meng, W, Swenson, L.L, Fitzgibbon, M.J, Hayakawa, K, ter Haar, E, Behrens, A.E, Fulghum, J.R, Lippke, J.A. | | Deposit date: | 2002-01-30 | | Release date: | 2002-09-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of Mitogen-activated Protein Kinase-activated Protein (MAPKAP) Kinase 2 Suggests a Bifunctional Switch That
Couples Kinase Activation with Nuclear Export
J.Biol.Chem., 277, 2002
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1Y7G
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