1ELA
 
 | | Analogous inhibitors of elastase do not always bind analogously | | Descriptor: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-prolinamide, ACETIC ACID, CALCIUM ION, ... | | Authors: | Mattos, C, Rasmussen, B, Ding, X, Petsko, G.A, Ringe, D. | | Deposit date: | 1993-12-07 | | Release date: | 1994-04-30 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Analogous inhibitors of elastase do not always bind analogously.
Nat.Struct.Biol., 1, 1994
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1POP
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2WTW
 | | Aurora-A Inhibitor Structure (2nd crystal form) | | 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 AURORA/IPL1-RELATED KINASE 1, BREAST TUMOR-AMPLIFIED KINASE, ... | | Authors: | Kosmopoulou, M, Bayliss, R. | | Deposit date: | 2009-09-24 | | Release date: | 2010-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.302 Å) | | Cite: | Crystal Structure of an Aurora-A Mutant that Mimics Aurora-B Bound to Mln8054: Insights Into Selectivity and Drug Design.
Biochem.J., 427, 2010
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1ESI
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1E9Y
 | | Crystal structure of Helicobacter pylori urease in complex with acetohydroxamic acid | | Descriptor: | ACETOHYDROXAMIC ACID, NICKEL (II) ION, UREASE SUBUNIT ALPHA, ... | | Authors: | Ha, N.-C, Oh, S.-T, Oh, B.-H. | | Deposit date: | 2000-11-01 | | Release date: | 2001-11-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Supramolecular Assembly and Acid Resistance of Helicobacter Pylori Urease
Nat.Struct.Biol., 8, 2001
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1OM2
 | | SOLUTION NMR STRUCTURE OF THE MITOCHONDRIAL PROTEIN IMPORT RECEPTOR TOM20 FROM RAT IN A COMPLEX WITH A PRESEQUENCE PEPTIDE DERIVED FROM RAT ALDEHYDE DEHYDROGENASE (ALDH) | | Descriptor: | PROTEIN (MITOCHONDRIAL ALDEHYDE DEHYDROGENASE), PROTEIN (MITOCHONDRIAL IMPORT RECEPTOR SUBUNIT TOM20) | | Authors: | Abe, Y, Shodai, T, Muto, T, Mihara, K, Torii, H, Nishikawa, S, Endo, T, Kohda, D. | | Deposit date: | 1999-04-23 | | Release date: | 2000-02-02 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structural basis of presequence recognition by the mitochondrial protein import receptor Tom20.
Cell(Cambridge,Mass.), 100, 2000
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1H7C
 | | human tubulin chaperone cofactor a | | Descriptor: | ACETIC ACID, SULFATE ION, TUBULIN-SPECIFIC CHAPERONE A | | Authors: | Guasch, A, Aloria, K, Perez, R, Campo, R, Avila, J, Zabala, J.C, Coll, M. | | Deposit date: | 2001-07-04 | | Release date: | 2002-06-13 | | Last modified: | 2017-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-Dimensional Structure of Human Tubulin Chaperone Cofactor A
J.Mol.Biol., 318, 2002
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3G5A
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6IG0
 | | Type III-A Csm complex, Cryo-EM structure of Csm-CTR1, ATP bound | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CTR1, MAGNESIUM ION, ... | | Authors: | You, L, Ma, J, Wang, J, Zhang, X, Wang, Y. | | Deposit date: | 2018-09-21 | | Release date: | 2018-12-12 | | Last modified: | 2019-01-23 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
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3EQB
 | | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Ohren, J.F, Pavlovsky, A, Zhang, E. | | Deposit date: | 2008-09-30 | | Release date: | 2008-11-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | 2-Alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles-O-Alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK (MAP ERK kinase).
Bioorg.Med.Chem.Lett., 18, 2008
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2ARI
 | | Solution structure of micelle-bound fusion domain of HIV-1 gp41 | | Descriptor: | Envelope polyprotein GP160 | | Authors: | Jaroniec, C.P, Kaufman, J.D, Stahl, S.J, Viard, M, Blumenthal, R, Wingfield, P.T, Bax, A. | | Deposit date: | 2005-08-19 | | Release date: | 2005-12-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and Dynamics of Micelle-Associated Human Immunodeficiency Virus gp41 Fusion Domain.
Biochemistry, 44, 2005
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1FQ1
 | | CRYSTAL STRUCTURE OF KINASE ASSOCIATED PHOSPHATASE (KAP) IN COMPLEX WITH PHOSPHO-CDK2 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CELL DIVISION PROTEIN KINASE 2, CYCLIN-DEPENDENT KINASE INHIBITOR 3, ... | | Authors: | Song, H, Hanlon, N, Brown, N.R, Noble, M.E.M, Johnson, L.N, Barford, D. | | Deposit date: | 2000-09-01 | | Release date: | 2001-05-09 | | Last modified: | 2018-03-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Phosphoprotein-protein interactions revealed by the crystal structure of kinase-associated phosphatase in complex with phosphoCDK2.
Mol.Cell, 7, 2001
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2B97
 | | Ultra-high resolution structure of hydrophobin HFBII | | Descriptor: | Hydrophobin II, MANGANESE (II) ION | | Authors: | Hakanpaa, J, Linder, M, Popov, A, Schmidt, A, Rouvinen, J. | | Deposit date: | 2005-10-11 | | Release date: | 2006-03-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (0.75 Å) | | Cite: | Hydrophobin HFBII in detail: ultrahigh-resolution structure at 0.75 A.
Acta Crystallogr.,Sect.D, 62, 2006
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1NXY
 | | Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (SM2) | | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase TEM, POTASSIUM ION | | Authors: | Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K. | | Deposit date: | 2003-02-11 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Recognition and Resistance in TEM beta-lactamase
Biochemistry, 42, 2003
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3FZO
 | | Crystal Structure of PYK2-Apo, Proline-rich Tyrosine Kinase | | Descriptor: | Protein tyrosine kinase 2 beta | | Authors: | Han, S. | | Deposit date: | 2009-01-26 | | Release date: | 2009-03-31 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
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3FZR
 | | Crystal structure of PYK2 complexed with PF-431396 | | Descriptor: | N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide, PHOSPHATE ION, Protein tyrosine kinase 2 beta | | Authors: | Han, S. | | Deposit date: | 2009-01-26 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
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2WJX
 | | Crystal structure of the human ionotropic glutamate receptor GluR2 ATD region at 4.1 A resolution | | Descriptor: | GLUTAMATE RECEPTOR 2 | | Authors: | Clayton, A, Siebold, C, Gilbert, R.J.C, Sutton, G.C, Harlos, K, McIlhinney, R.A.J, Jones, E.Y, Aricescu, A.R. | | Deposit date: | 2009-06-01 | | Release date: | 2009-08-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Crystal Structure of the Glur2 Amino-Terminal Domain Provides Insights Into the Architecture and Assembly of Ionotropic Glutamate Receptors.
J.Mol.Biol., 392, 2009
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2F5N
 | | MutM crosslinked to undamaged DNA sampling A:T base pair IC1 | | Descriptor: | 5'-D(*AP*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 5'-D(*TP*GP*C*GP*TP*CP*CP*AP*GP*GP*TP*CP*TP*AP*CP*C)-3', GLYCEROL, ... | | Authors: | Banerjee, A, Santos, W.L, Verdine, G.L. | | Deposit date: | 2005-11-26 | | Release date: | 2006-03-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of a DNA glycosylase searching for lesions.
Science, 311, 2006
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2WTV
 | | Aurora-A Inhibitor Structure | | Descriptor: | 1,2-ETHANEDIOL, 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID, ACETATE ION, ... | | Authors: | Kosmopoulou, M, Bayliss, R. | | Deposit date: | 2009-09-22 | | Release date: | 2010-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of an Aurora-A Mutant that Mimics Aurora-B Bound to Mln8054: Insights Into Selectivity and Drug Design.
Biochem.J., 427, 2010
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3FZP
 | | Crystal structure of PYK2 complexed with ATPgS | | Descriptor: | PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein tyrosine kinase 2 beta, SULFATE ION | | Authors: | Han, S. | | Deposit date: | 2009-01-26 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
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3FZT
 | | Crystal structure of PYK2 complexed with PF-4618433 | | Descriptor: | 1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1H-pyrazol-5-yl}urea, Protein tyrosine kinase 2 beta | | Authors: | Han, S. | | Deposit date: | 2009-01-26 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
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5OKF
 | | CH1 chimera of human 14-3-3 sigma with the HSPB6 phosphopeptide in a conformation with self-bound phosphopeptides | | Descriptor: | 14-3-3 protein sigma,Heat shock protein beta-6, CADMIUM ION | | Authors: | Sluchanko, N.N, Tugaeva, K.V, Greive, S.J, Antson, A.A. | | Deposit date: | 2017-07-25 | | Release date: | 2017-10-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Chimeric 14-3-3 proteins for unraveling interactions with intrinsically disordered partners.
Sci Rep, 7, 2017
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4MRF
 | | Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule | | Descriptor: | 1,2,3,4-tetrahydroisoquinoline, CD44 antigen, DIMETHYL SULFOXIDE, ... | | Authors: | Liu, L.K, Finzel, B. | | Deposit date: | 2013-09-17 | | Release date: | 2014-04-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Fragment-Based Identification of an Inducible Binding Site on Cell Surface Receptor CD44 for the Design of Protein-Carbohydrate Interaction Inhibitors.
J.Med.Chem., 57, 2014
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4NM3
 | | Crystal structure of GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ... | | Authors: | Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I. | | Deposit date: | 2013-11-14 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
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1QJA
 | | 14-3-3 ZETA/PHOSPHOPEPTIDE COMPLEX (MODE 2) | | Descriptor: | 14-3-3 PROTEIN ZETA, PHOSPHOPEPTIDE | | Authors: | Rittinger, K, Budman, J, Xu, J, Volinia, S, Cantley, L.C, Smerdon, S.J, Gamblin, S.J, Yaffe, M.B. | | Deposit date: | 1999-06-23 | | Release date: | 1999-09-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Analysis of 14-3-3 Phosphopeptide Complexes Identifies a Dual Role for the Nuclear Export Signal of 14-3-3 in Ligand Binding
Mol.Cell, 4, 1999
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