1KF8
 
 | | Atomic resolution structure of RNase A at pH 8.8 | | Descriptor: | pancreatic ribonuclease | | Authors: | Berisio, R, Sica, F, Lamzin, V.S, Wilson, K.S, Zagari, A, Mazzarella, L. | | Deposit date: | 2001-11-19 | | Release date: | 2001-12-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Atomic resolution structures of ribonuclease A at six pH values.
Acta Crystallogr.,Sect.D, 58, 2002
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1KFZ
 | | Solution Structure of C-terminal Sem-5 SH3 Domain (Ensemble of 16 Structures) | | Descriptor: | SEX MUSCLE ABNORMAL PROTEIN 5 | | Authors: | Ferreon, J.C, Volk, D.E, Luxon, B.A, Gorenstein, D, Hilser, V.J. | | Deposit date: | 2001-11-24 | | Release date: | 2003-05-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure, Dynamics and Thermodynamics of the Native State Ensemble
of Sem-5 C-Terminal SH3 Domain
Biochemistry, 42, 2003
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2AH4
 | | guanidinobenzoyl-trypsin acyl-enzyme at 1.13 A resolution | | Descriptor: | 4-carbamimidamidobenzoic acid, CALCIUM ION, SULFATE ION, ... | | Authors: | Radisky, E.S, Lee, J.M, Lu, C.J, Koshland Jr, D.E. | | Deposit date: | 2005-07-26 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Insights into the serine protease mechanism from atomic resolution structures of trypsin reaction intermediates
Proc.Natl.Acad.Sci.USA, 103, 2006
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1XU8
 | | The 2.8 A structure of a tumour suppressing serpin | | Descriptor: | Maspin, SULFATE ION | | Authors: | Irving, J.A, Law, R.H, Ruzyla, K, Bashtannyk-Puhalovich, T.A, Kim, N, Worrall, D.M, Rossjohn, J, Whisstock, J.C. | | Deposit date: | 2004-10-25 | | Release date: | 2005-03-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The high resolution crystal structure of the human tumor suppressor maspin reveals a novel conformational switch in the G-helix.
J.Biol.Chem., 280, 2005
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2ASE
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3H30
 | | Crystal structure of the catalytic subunit of human protein kinase CK2 with 5,6-dichloro-1-beta-D-ribofuranosylbenzimidazole | | Descriptor: | 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole, CHLORIDE ION, Casein kinase II subunit alpha | | Authors: | Niefind, K, Raaf, J, Issinger, O.-G. | | Deposit date: | 2009-04-15 | | Release date: | 2009-05-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | The CK2alpha/CK2beta Interface of Human Protein Kinase CK2 Harbors a Binding Pocket for Small Molecules
Chem.Biol., 15, 2008
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2AUB
 | | Lysozyme structure derived from thin-film-based crystals | | Descriptor: | Lysozyme C | | Authors: | Pechkova, E, Sivozhelezov, V, Tropiano, G, Fiordoro, S, Nicolini, C. | | Deposit date: | 2005-08-27 | | Release date: | 2005-12-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Comparison of lysozyme structures derived from thin-film-based and classical crystals.
Acta Crystallogr.,Sect.D, 61, 2005
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2AVS
 | | kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, and G73S | | Descriptor: | ACETIC ACID, DIMETHYL SULFOXIDE, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, ... | | Authors: | Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | | Deposit date: | 2005-08-30 | | Release date: | 2006-01-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S.
J.Mol.Biol., 354, 2005
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1XWB
 | | Drospohila thioredoxin, oxidized, P42212 | | Descriptor: | CADMIUM ION, thioredoxin | | Authors: | Wahl, M.C, Irmler, A, Hecker, B, Schirmer, R.H, Becker, K. | | Deposit date: | 2004-10-29 | | Release date: | 2004-11-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Comparative structural analysis of oxidized and reduced thioredoxin from Drosophila melanogaster
J.Mol.Biol., 345, 2005
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2W7X
 | | Cellular inhibition of checkpoint kinase 2 and potentiation of cytotoxic drugs by novel Chk2 inhibitor PV1019 | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-[4-[(E)-N-carbamimidamido-C-methyl-carbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide, ... | | Authors: | Jobson, A.G, Lountos, G.T, Lorenzi, P.L, Llamas, J, Connelly, J, Tropea, J.E, Onda, A, Kondapaka, S, Zhang, G, Caplen, N.J, Caredellina, J.H, Monks, A, Self, C, Waugh, D.S, Shoemaker, R.H, Pommier, Y. | | Deposit date: | 2009-01-06 | | Release date: | 2009-09-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Cellular Inhibition of Chk2 Kinase and Potentiation of Camptothecins and Radiation by the Novel Chk2 Inhibitor Pv1019.
J.Pharmacol.Exp.Ther., 331, 2009
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1XZ5
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2ANN
 | | Crystal structure (I) of Nova-1 KH1/KH2 domain tandem with 25 nt RNA hairpin | | Descriptor: | 5'-R(*CP*GP*CP*GP*CP*GP*GP*AP*UP*CP*AP*GP*UP*CP*AP*CP*CP*CP*AP*AP*GP*CP*GP*CP*G)-3', MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Malinina, L, Teplova, M, Musunuru, K, Teplov, A, Darnell, J.C, Burley, S.K, Darnell, R.B, Patel, D.J. | | Deposit date: | 2005-08-11 | | Release date: | 2006-10-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Protein-RNA and protein-protein recognition by dual KH1/2 domains of the neuronal splicing factor Nova-1.
Structure, 19, 2011
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2ANY
 | | Expression, Crystallization and the Three-dimensional Structure of the Catalytic Domain of Human Plasma Kallikrein: Implications for Structure-Based Design of Protease Inhibitors | | Descriptor: | BENZAMIDINE, PHOSPHATE ION, plasma kallikrein, ... | | Authors: | Tang, J, Yu, C.L, Williams, S.R, Springman, E, Jeffery, D, Sprengeler, P.A, Estevez, A, Sampang, J, Shrader, W, Spencer, J.R, Young, W.B, McGrath, M.E, Katz, B.A. | | Deposit date: | 2005-08-11 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Expression, crystallization, and three-dimensional structure of the catalytic domain of human plasma kallikrein.
J.Biol.Chem., 280, 2005
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1XXT
 | | The T-to-T High Transitions in Human Hemoglobin: wild-type deoxy Hb A (low salt, one test set) | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | | Deposit date: | 2004-11-08 | | Release date: | 2004-12-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.91 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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3AT3
 | | Crystal structure of CK2alpha with pyradine derivative | | Descriptor: | (1-{6-[6-(cyclopentylamino)-1H-indazol-1-yl]pyrazin-2-yl}-1H-pyrrol-3-yl)acetic acid, Casein kinase II subunit alpha | | Authors: | Kinoshita, T. | | Deposit date: | 2010-12-23 | | Release date: | 2011-11-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A detailed thermodynamic profile of cyclopentyl and isopropyl derivatives binding to CK2 kinase
Mol.Cell.Biochem., 356, 2011
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2AOH
 | | Crystal structure analysis of HIV-1 Protease mutant V82A with a substrate analog P6-PR | | Descriptor: | CHLORIDE ION, PEPTIDE INHIBITOR, POL POLYPROTEIN, ... | | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | | Deposit date: | 2005-08-12 | | Release date: | 2006-01-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
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2AZ8
 | | HIV-1 Protease NL4-3 in complex with inhibitor, TL-3 | | Descriptor: | PROTEASE RETROPEPSIN, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | | Authors: | Heaslet, H, Kutilek, V, Morris, G.M, Lin, Y.-C, Elder, J.H, Torbett, B.E, Stout, C.D. | | Deposit date: | 2005-09-09 | | Release date: | 2006-02-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insights into the Mechanisms of Drug Resistance in HIV-1 Protease NL4-3
J.Mol.Biol., 356, 2006
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1XZ7
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2AQQ
 | | CU/ZN superoxid dismutate from neisseria meningitidis K91E mutant | | Descriptor: | COPPER (I) ION, COPPER (II) ION, SULFATE ION, ... | | Authors: | DiDonato, M, Kassmann, C.J, Bruns, C.K, Cabelli, D.E, Cao, Z, Tabatabai, L.B, Kroll, J.S, Getzoff, E.D. | | Deposit date: | 2005-08-18 | | Release date: | 2006-10-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | CU/ZN superoxid dismutate from neisseria meningitidis K91E mutant
To be Published
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3EQH
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2W4J
 | | X-ray structure of a DAP-Kinase 2-277 | | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, DEATH-ASSOCIATED PROTEIN KINASE 1, ... | | Authors: | De Diego, I, Kuper, J, Lehmann, F, Wilmanns, M. | | Deposit date: | 2008-11-27 | | Release date: | 2009-12-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | X-Ray Structure of a Dap-Kinase Calmodulin Complex
To be Published
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2B1P
 | | inhibitor complex of JNK3 | | Descriptor: | 3-{6-[(2-CHLOROPHENYL)AMINO]-1H-INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID, BETA-MERCAPTOETHANOL, Mitogen-activated protein kinase 10, ... | | Authors: | Swahn, B.M, Huerta, F, Kallin, E, Malmstrom, J, Weigelt, T, Viklund, J, Womack, P, Xue, Y, Ohberg, L. | | Deposit date: | 2005-09-16 | | Release date: | 2006-09-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and synthesis of 6-anilinoindazoles as selective inhibitors of c-Jun N-terminal kinase-3
Bioorg.Med.Chem.Lett., 15, 2005
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1KVB
 | | E. COLI RIBONUCLEASE HI D134H MUTANT | | Descriptor: | RIBONUCLEASE H | | Authors: | Kashiwagi, T, Jeanteur, D, Haruki, M, Katayanagi, K, Kanaya, S, Morikawa, K. | | Deposit date: | 1996-10-04 | | Release date: | 1997-03-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Proposal for new catalytic roles for two invariant residues in Escherichia coli ribonuclease HI.
Protein Eng., 9, 1996
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1XL2
 | | HIV-1 Protease in complex with pyrrolidinmethanamine | | Descriptor: | CHLORIDE ION, GLYCEROL, N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-3-YL)METHYL]ACETAMIDE, ... | | Authors: | Boettcher, J, Specker, E, Heine, A, Klebe, G. | | Deposit date: | 2004-09-30 | | Release date: | 2005-06-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | An Old Target Revisited: Two New Privileged Skeletons and an Unexpected Binding Mode For HIV-Protease Inhibitors
Angew.Chem.Int.Ed.Engl., 44, 2005
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2YAK
 | | Structure of death-associated protein Kinase 1 (dapk1) in complex with a ruthenium octasporine ligand (OSV) | | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE 1, RUTHENIUM OCTASPORINE 4 | | Authors: | Feng, L, Geisselbrecht, Y, Blanck, S, Wilbuer, A, Atilla-Gokcumen, G.E, Filippakopoulos, P, Kraeling, K, Celik, M.A, Harms, K, Maksimoska, J, Marmorstein, R, Frenking, G, Knapp, S, Essen, L.-O, Meggers, E. | | Deposit date: | 2011-02-23 | | Release date: | 2011-04-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structurally Sophisticated Octahedral Metal Complexes as Highly Selective Protein Kinase Inhibitors.
J.Am.Chem.Soc., 133, 2011
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