1T1P
 
 | | NMR STRUCTURE OF HUMAN INSULIN MUTANT HIS-B10-ASP, VAL-B12-THR, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES | | Descriptor: | Insulin, insulin | | Authors: | Huang, K, Xu, B, Hu, S.Q, Chu, Y.C, Hua, Q.X, Whittaker, J, Nakagawa, S.H, De Meyts, P, Katsoyannis, P.G, Weiss, M.A. | | Deposit date: | 2004-04-16 | | Release date: | 2004-08-10 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta-Helix of the Insulin Receptor.
J.Mol.Biol., 341, 2004
|
|
1T37
 | | Design of specific inhibitors of phospholipase A2: Crystal structure of the complex formed between group I phospholipase A2 and a designed pentapeptide Leu-Ala-Ile-Tyr-Ser at 2.6A resolution | | Descriptor: | ACETATE ION, Phospholipase A2 isoform 3, Synthetic peptide | | Authors: | Singh, R.K, Singh, N, Jabeen, T, Makker, J, Sharma, S, Dey, S, Singh, T.P. | | Deposit date: | 2004-04-25 | | Release date: | 2004-05-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the complex of group I PLA2 with a group II-specific peptide Leu-Ala-Ile-Tyr-Ser (LAIYS) at 2.6 A resolution.
J.Drug Target., 13, 2005
|
|
3V01
 | | Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S. | | Deposit date: | 2011-12-07 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.705 Å) | | Cite: | Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions.
J.Med.Chem., 55, 2012
|
|
3UO6
 | | Aurora A in complex with YL5-083 | | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-11-16 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8002 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
|
|
3UOJ
 | | Aurora A in complex with RPM1715 | | Descriptor: | 4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-11-16 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9003 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
|
|
1T4L
 | | Solution structure of double-stranded RNA binding domain of S. cerevisiae RNase III (Rnt1p) in complex with the 5' terminal RNA hairpin of snR47 precursor | | Descriptor: | 5' terminal hairpin of snR47 precursor, Ribonuclease III | | Authors: | Wu, H, Henras, A, Chanfreau, G, Feigon, J. | | Deposit date: | 2004-04-29 | | Release date: | 2004-06-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural basis for recognition of the AGNN tetraloop RNA fold by the double-stranded RNA-binding domain of Rnt1p RNase III.
Proc.Natl.Acad.Sci.USA, 101, 2004
|
|
1T7I
 | | The structural and thermodynamic basis for the binding of TMC114, a next-generation HIV-1 protease inhibitor. | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, PHOSPHATE ION, ... | | Authors: | King, N.M, Prabu-Jeyabalan, M, Nalivaika, E.A, Wigerinck, P.B.T.P, De Bethune, M.-P, Schiffer, C.A. | | Deposit date: | 2004-05-10 | | Release date: | 2005-05-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor
J.Med.Chem., 48, 2005
|
|
3UIU
 | | Crystal structure of Apo-PKR kinase domain | | Descriptor: | Interferon-induced, double-stranded RNA-activated protein kinase | | Authors: | Li, F, Li, S, Yang, X, Shen, Y, Zhang, T. | | Deposit date: | 2011-11-06 | | Release date: | 2012-11-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.903 Å) | | Cite: | Crystal structure of Apo-PKR kinase domain
TO BE PUBLISHED
|
|
1TAL
 | | ALPHA-LYTIC PROTEASE AT 120 K (SINGLE STRUCTURE MODEL) | | Descriptor: | ALPHA-LYTIC PROTEASE, SULFATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE | | Authors: | Rader, S.D, Agard, D.A. | | Deposit date: | 1996-10-30 | | Release date: | 1997-04-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Conformational substates in enzyme mechanism: the 120 K structure of alpha-lytic protease at 1.5 A resolution.
Protein Sci., 6, 1997
|
|
1TH6
 | | Crystal structure of phospholipase A2 in complex with atropine at 1.23A resolution | | Descriptor: | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE, Phospholipase A2, SULFATE ION | | Authors: | Singh, N, Pal, A, Jabeen, T, Sharma, S, Perbandt, M, Betzel, C, Singh, T.P. | | Deposit date: | 2004-06-01 | | Release date: | 2004-06-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Crystal structure of phospholipase A2 in complex with atropine at 1.23A resolution
To be Published
|
|
1TLE
 | | LE (LAMININ-TYPE EGF-LIKE) MODULE GIII4 IN SOLUTION AT PH 3.5 AND 290 K, NMR, 14 STRUCTURES | | Descriptor: | LAMININ | | Authors: | Baumgartner, R, Czisch, M, Mayer, U, Schl, E.P, Huber, R, Timpl, R, Holak, T.A. | | Deposit date: | 1996-01-26 | | Release date: | 1997-02-12 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Structure of the nidogen binding LE module of the laminin gamma1 chain in solution.
J.Mol.Biol., 257, 1996
|
|
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
|
|
1TK4
 | | Crystal structure of russells viper phospholipase A2 in complex with a specifically designed tetrapeptide Ala-Ile-Arg-Ser at 1.1 A resolution | | Descriptor: | Phospholipase A2 VRV-PL-VIIIa, SULFATE ION, Tetrapeptide Ala-Ile-Arg-Ser | | Authors: | Singh, N, Bilgrami, S, Somvanshi, R.K, Sharma, S, Dey, S, Perbandt, M, Betzel, C, Kaur, P, Singh, T.P. | | Deposit date: | 2004-06-08 | | Release date: | 2004-06-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structure of russells viper phospholipase A2 with a specifically designed tetrapeptide Ala-Ile-Arg-Ser at 1.1 A resolution
TO BE PUBLISHED
|
|
1TKI
 | |
1URV
 | | Crystal structure of cytoglobin: the fourth globin type discovered in man displays heme hexa-coordination | | Descriptor: | CYTOGLOBIN, HEXACYANOFERRATE(3-), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | de Sanctis, D, Dewilde, S, Pesce, A, Moens, L, Ascenzi, P, Hankeln, T, Burmester, T, Bolognesi, M. | | Deposit date: | 2003-11-11 | | Release date: | 2004-12-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Cytoglobin: The Fourth Globin Type Discovered in Man Displays Heme Hexa-Coordination.
J.Mol.Biol., 336, 2004
|
|
1VA9
 | |
3U4U
 | | Casein kinase 2 in complex with AZ-Inhibitor | | Descriptor: | 3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-indol-1-yl}propanoic acid, CHLORIDE ION, Casein kinase II subunit alpha | | Authors: | Larsen, N.A, Dowling, J. | | Deposit date: | 2011-10-10 | | Release date: | 2012-08-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Potent and Selective Inhibitors of CK2 Kinase Identified through Structure-Guided Hybridization.
ACS Med Chem Lett, 3, 2012
|
|
1UTK
 | | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | | Descriptor: | CALCIUM ION, SULFATE ION, TRYPSIN I | | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | | Deposit date: | 2003-12-09 | | Release date: | 2004-01-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements
Protein Sci., 13, 2004
|
|
1UTP
 | | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | | Descriptor: | 4-PHENYLBUTYLAMINE, CALCIUM ION, GLYCEROL, ... | | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | | Deposit date: | 2003-12-09 | | Release date: | 2004-01-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements
Protein Sci., 13, 2004
|
|
3U9C
 | | Structure of a C-terminal deletion mutant of human protein kinase CK2 catalytic subunit with the ATP-competitive inhibitor resorufin | | Descriptor: | 7-hydroxy-3H-phenoxazin-3-one, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Klopffleisch, K, Issinger, O.-G, Niefind, K. | | Deposit date: | 2011-10-18 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Low-density crystal packing of human protein kinase CK2 catalytic subunit in complex with resorufin or other ligands: a tool to study the unique hinge-region plasticity of the enzyme without packing bias.
Acta Crystallogr.,Sect.D, 68, 2012
|
|
5BMS
 | |
1V2S
 | | Benzamidine in complex with bovine trypsin variant X(SSFI.Glu)bT.D1 | | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | | Deposit date: | 2003-10-17 | | Release date: | 2004-06-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
|
|
1V2J
 | | BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(SSRI)bT.C1 | | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | | Deposit date: | 2003-10-17 | | Release date: | 2004-06-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
|
|
3TKU
 | | MRCK beta in complex with fasudil | | Descriptor: | 1,2-ETHANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, Serine/threonine-protein kinase MRCK beta | | Authors: | Heikkila, T.J, Turnbull, A, Wheatley, E, Schroder, E, Crighton, D, Olson, M.F. | | Deposit date: | 2011-08-29 | | Release date: | 2011-10-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Co-crystal structures of inhibitors with MRCK, a key regulator of tumor cell invasion
Plos One, 6, 2011
|
|
3U87
 | | Structure of a chimeric construct of human CK2alpha and human CK2alpha' in complex with a non-hydrolysable ATP-analogue | | Descriptor: | CHLORIDE ION, Casein kinase II subunit alpha, GLYCEROL, ... | | Authors: | Niefind, K, Raaf, J, Issinger, O.-G, Olsen, B. | | Deposit date: | 2011-10-16 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Low-density crystal packing of human protein kinase CK2 catalytic subunit in complex with resorufin or other ligands: a tool to study the unique hinge-region plasticity of the enzyme without packing bias.
Acta Crystallogr.,Sect.D, 68, 2012
|
|
