2HY8
 
 | | PAK1 complex with ST2001 | | Descriptor: | (5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-5-METHYL-7-(METHYLAMINO)-6,7,8,9-TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15-TRIAZADIBENZO[ B,H]CYCLONONA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACEN-14-ONE, Serine/threonine-protein kinase PAK 1 | | Authors: | Schulze-Gahmen, U, Lu, H. | | Deposit date: | 2006-08-04 | | Release date: | 2006-11-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of the Complex Between Human Pak1-kinase and 3-Hydroxystaurosporine
To be Published
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2LNW
 | | Identification and structural basis for a novel interaction between Vav2 and Arap3 | | Descriptor: | Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3, Guanine nucleotide exchange factor VAV2 | | Authors: | Wu, B, Zhang, J, Wu, J, Shi, Y. | | Deposit date: | 2012-01-05 | | Release date: | 2012-11-21 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Identification and structural basis for a novel interaction between Vav2 and Arap3.
J.Struct.Biol., 180, 2012
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2HS2
 | | Crystal structure of M46L mutant of HIV-1 protease complexed with TMC114 (darunavir) | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Weber, I.T, Kovalevsky, A.Y, Liu, F. | | Deposit date: | 2006-07-20 | | Release date: | 2006-10-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Ultra-high Resolution Crystal Structure of HIV-1 Protease Mutant Reveals Two Binding Sites for Clinical Inhibitor TMC114.
J.Mol.Biol., 363, 2006
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2I4Q
 | | Human renin/PF02342674 complex | | Descriptor: | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE, Renin | | Authors: | Holsworth, D.D, Jalaie, M, Zhang, E, Mcconnell, P, Mochalkin, I, Finzel, B.C. | | Deposit date: | 2006-08-22 | | Release date: | 2006-10-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors.
Bioorg.Med.Chem., 15, 2007
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2LFJ
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2I94
 | | NMR Structure of recoverin bound to rhodopsin kinase | | Descriptor: | CALCIUM ION, Recoverin, Rhodopsin kinase | | Authors: | Ames, J.B. | | Deposit date: | 2006-09-05 | | Release date: | 2006-10-10 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structural Basis for Calcium-induced Inhibition of Rhodopsin Kinase by Recoverin.
J.Biol.Chem., 281, 2006
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2L33
 | | Solution NMR Structure of DRBM 2 domain of Interleukin enhancer-binding factor 3 from Homo sapiens, Northeast Structural Genomics Consortium Target HR4527E | | Descriptor: | Interleukin enhancer-binding factor 3 | | Authors: | Liu, G, Janjua, H, Xiao, R, Acton, T.B, Ciccosanti, A, Shastry, R.B, Everett, J, Montelione, G.T, Northeast Structural Genomics Consortium, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-09-03 | | Release date: | 2010-09-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Northeast Structural Genomics Consortium Target HR4527E
To be Published
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2L4Q
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6Y0B
 | | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with quinazolin-4-amine and PKI (5-24) | | Descriptor: | DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ... | | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | | Deposit date: | 2020-02-07 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
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2LGP
 | | Solution structure of LA45 from LDLR | | Descriptor: | CALCIUM ION, Low-density lipoprotein receptor | | Authors: | Guttman, M, Komives, E.A. | | Deposit date: | 2011-08-01 | | Release date: | 2011-11-30 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Structure, Dynamics, and Binding of the LA45 Module Pair of the Low-Density Lipoprotein Receptor Suggest an Important Role for LA4 in Ligand Release.
Biochemistry, 50, 2011
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2LTS
 | | Solution structure of RDE-4(150-235) | | Descriptor: | Protein RDE-4 | | Authors: | Deshmukh, M, Chiliveri, S. | | Deposit date: | 2012-05-31 | | Release date: | 2013-12-04 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of RDE-4 dsRBDs and mutational studies provide insights into dsRNA recognition in the Caenorhabditis elegans RNAi pathway.
Biochem.J., 458, 2014
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2HS1
 | | Ultra-high resolution X-ray crystal structure of HIV-1 protease V32I mutant with TMC114 (darunavir) inhibitor | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Weber, I.T, Kovalevsky, A.Y. | | Deposit date: | 2006-07-20 | | Release date: | 2006-10-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (0.84 Å) | | Cite: | Ultra-high Resolution Crystal Structure of HIV-1 Protease Mutant Reveals Two Binding Sites for Clinical Inhibitor TMC114.
J.Mol.Biol., 363, 2006
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2LTR
 | | Solution structure of RDE-4(32-136) | | Descriptor: | Protein RDE-4 | | Authors: | Deshmukh, M, Chiliveri, S. | | Deposit date: | 2012-05-31 | | Release date: | 2013-12-04 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of RDE-4 dsRBDs and mutational studies provide insights into dsRNA recognition in the Caenorhabditis elegans RNAi pathway.
Biochem.J., 458, 2014
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2HZC
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6Y05
 | | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with adenine and PKI (5-24) | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ADENINE, ... | | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | | Deposit date: | 2020-02-06 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
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2HTX
 | | Crystal Structure Analysis of Hen Egg White Lysozyme Crosslinked by Polymerized Glutaraldehyde in Acidic Environment | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Wine, Y, Cohen-Hadar, N, Freeman, A, Lagziel-Simis, S, Frolow, F. | | Deposit date: | 2006-07-26 | | Release date: | 2007-05-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Elucidation of the mechanism and end products of glutaraldehyde crosslinking reaction by X-ray structure analysis
Biotechnol.Bioeng., 98, 2007
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2L7F
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2HUB
 | | Structure of Hen Egg-White Lysozyme Determined from crystals grown in pH 7.5 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, D(-)-TARTARIC ACID, ... | | Authors: | Frolow, F, Lagziel-Simis, S, Cohen-Hadar, N, Wine, Y, Freeman, A. | | Deposit date: | 2006-07-26 | | Release date: | 2007-07-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.201 Å) | | Cite: | Monitoring influence of pH on the molecular and crystal structure of hen egg-white tetragonal lysozyme
To be Published
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4IC8
 | | Crystal structure of the apo ERK5 kinase domain | | Descriptor: | Mitogen-activated protein kinase 7 | | Authors: | Gogl, G, Remenyi, A. | | Deposit date: | 2012-12-10 | | Release date: | 2013-02-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural mechanism for the specific assembly and activation of the extracellular signal regulated kinase 5 (ERK5) module.
J.Biol.Chem., 288, 2013
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2LQD
 | | Reduced and CO-bound cytochrome P450cam (CYP101A1) | | Descriptor: | CARBON MONOXIDE, Camphor 5-monooxygenase, POTASSIUM ION, ... | | Authors: | Pochapsky, T.C, Pochapsky, S.S, Asciutto, E, Madura, J, Young, M.J. | | Deposit date: | 2012-03-02 | | Release date: | 2012-05-09 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution Structural Ensembles of Substrate-Free Cytochrome P450(cam).
Biochemistry, 51, 2012
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2HUP
 | | Crystal structure of human RAB43 in complex with GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAS-related protein RAB-43, ... | | Authors: | Wang, J, Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-07-27 | | Release date: | 2006-08-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of human RAB43 in complex with GDP
To be Published
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2LCS
 | | Yeast Nbp2p SH3 domain in complex with a peptide from Ste20p | | Descriptor: | NAP1-binding protein 2, Serine/threonine-protein kinase STE20 | | Authors: | Gorelik, M, Davidson, A.R. | | Deposit date: | 2011-05-07 | | Release date: | 2012-02-01 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Distinct Peptide Binding Specificities of Src Homology 3 (SH3) Protein Domains Can Be Determined by Modulation of Local Energetics across the Binding Interface.
J.Biol.Chem., 287, 2012
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2HU0
 | | N1 neuraminidase in complex with oseltamivir 1 | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase | | Authors: | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2006-07-26 | | Release date: | 2006-09-05 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design.
Nature, 443, 2006
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2LPM
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2HUW
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