2APR
 
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1JL1
 | | D10A E. coli ribonuclease HI | | Descriptor: | RIBONUCLEASE HI | | Authors: | Goedken, E.R, Marqusee, S. | | Deposit date: | 2001-07-13 | | Release date: | 2002-02-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Native-state energetics of a thermostabilized variant of ribonuclease HI.
J.Mol.Biol., 314, 2001
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3UMX
 | | Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indol-3-yl)methylene]-7-(azepan-1-ylmethyl)-6-hydroxybenzofuran-3(2H)-one | | Descriptor: | (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3(2H)-one, Proto-oncogene serine/threonine-protein kinase pim-1, SULFATE ION | | Authors: | Parker, L.J, Handa, N, Yokoyama, S. | | Deposit date: | 2011-11-15 | | Release date: | 2012-08-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor
Acta Crystallogr.,Sect.F, 68, 2012
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1QRZ
 | | CATALYTIC DOMAIN OF PLASMINOGEN | | Descriptor: | PLASMINOGEN | | Authors: | Peisach, E, Wang, J, de los Santos, T, Reich, E, Ringe, D. | | Deposit date: | 1999-06-16 | | Release date: | 1999-10-14 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the proenzyme domain of plasminogen.
Biochemistry, 38, 1999
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1JUG
 | | LYSOZYME FROM ECHIDNA MILK (TACHYGLOSSUS ACULEATUS) | | Descriptor: | CALCIUM ION, LYSOZYME | | Authors: | Guss, J.M. | | Deposit date: | 1996-10-13 | | Release date: | 1997-04-21 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the calcium-binding echidna milk lysozyme at 1.9 A resolution.
Acta Crystallogr.,Sect.D, 53, 1997
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1XH9
 | | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | | Descriptor: | (R,R)-2,3-BUTANEDIOL, N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, ... | | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-09-17 | | Release date: | 2005-09-17 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
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1XCA
 | | APO-CELLULAR RETINOIC ACID BINDING PROTEIN II | | Descriptor: | CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II | | Authors: | Chen, X, Ji, X. | | Deposit date: | 1996-12-31 | | Release date: | 1998-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of apo-cellular retinoic acid-binding protein type II (R111M) suggests a mechanism of ligand entry.
J.Mol.Biol., 278, 1998
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2AUR
 | | F97V (no ligand bound) | | Descriptor: | Globin I, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Knapp, J.E, Bonham, M.A, Gibson, Q.H, Nichols, J.C, Royer Jr, W.E. | | Deposit date: | 2005-08-28 | | Release date: | 2006-03-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Residue F4 plays a key role in modulating oxygen affinity and cooperativity in Scapharca dimeric hemoglobin
Biochemistry, 44, 2005
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2AV3
 | | F97L- no ligand | | Descriptor: | Globin I, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Knapp, J.E, Bonham, M.A, Gibson, Q.H, Nichols, J.C, Royer Jr, W.E. | | Deposit date: | 2005-08-29 | | Release date: | 2006-03-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Residue F4 plays a key role in modulating oxygen affinity and cooperativity in Scapharca dimeric hemoglobin
Biochemistry, 44, 2005
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1XDD
 | | X-ray structure of LFA-1 I-domain in complex with LFA703 at 2.2A resolution | | Descriptor: | 8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)-6-METHOXY-2-NAPHTHYL]METHYL}-6-OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL 2-METHYLBUTANOATE, Integrin alpha-L, MAGNESIUM ION | | Authors: | Weitz-Schmidt, G, Welzenbach, K, Dawson, J, Kallen, J. | | Deposit date: | 2004-09-06 | | Release date: | 2004-09-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Improved lymphocyte function-associated antigen-1 (LFA-1) inhibition by statin derivatives: molecular basis determined by x-ray analysis and monitoring of LFA-1 conformational changes in vitro and ex vivo
J.Biol.Chem., 279, 2004
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2B7H
 | | Hemoglobin from Cerdocyon thous, a canidae from Brazil, at 2.2 Angstroms resolution | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, hemoglobin alpha chain, ... | | Authors: | Esteves, G.F, Silva, V.C, Bloch Jr, C, Medrano, F.J, Barbosa, J.A.R.G, Freitas, S.M. | | Deposit date: | 2005-10-04 | | Release date: | 2006-09-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure and biophysical characterization of the Cerdocyon thous, a Canidae from Brazil.
To be Published
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1JYR
 | | Xray Structure of Grb2 SH2 Domain Complexed with a Phosphorylated Peptide | | Descriptor: | GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2, peptide: PSpYVNVQN | | Authors: | Nioche, P, Liu, W.-Q, Broutin, I, Charbonnier, F, Latreille, M.-T, Vidal, M, Roques, B, Garbay, C, Ducruix, A. | | Deposit date: | 2001-09-13 | | Release date: | 2002-03-13 | | Last modified: | 2018-10-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structures of the SH2 domain of Grb2: highlight on the binding of a new high-affinity inhibitor.
J.Mol.Biol., 315, 2002
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1XFP
 | | Crystal structure of the CDR2 germline reversion mutant of cAb-Lys3 in complex with hen egg white lysozyme | | Descriptor: | FORMIC ACID, Lysozyme C, heavy chain antibody | | Authors: | De Genst, E, Handelberg, F, Van Meirhaeghe, A, Vynck, S, Loris, R, Wyns, L, Muyldermans, S. | | Deposit date: | 2004-09-15 | | Release date: | 2004-09-28 | | Last modified: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Chemical Basis for the Affinity Maturation of a Camel Single Domain Antibody
J.Biol.Chem., 279, 2004
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2AID
 | | STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN | | Descriptor: | 4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL, CHLORIDE ION, HUMAN IMMUNODEFICIENCY VIRUS PROTEASE | | Authors: | Rutenber, E.E, Fauman, E.B, Keenan, R.J, Stroud, R.M. | | Deposit date: | 1997-04-17 | | Release date: | 1997-10-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of a non-peptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design.
J.Biol.Chem., 268, 1993
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2B9H
 | | Crystal structure of Fus3 with a docking motif from Ste7 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitogen-activated protein kinase FUS3, ... | | Authors: | Remenyi, A, Good, M.C, Bhattacharyya, R.P, Lim, W.A. | | Deposit date: | 2005-10-11 | | Release date: | 2006-01-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The role of docking interactions in mediating signaling input, output, and discrimination in the yeast MAPK network.
Mol.Cell, 20, 2005
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2BB9
 | | Structure of HIV1 protease and AKC4p_133a complex. | | Descriptor: | 2-ETHOXYETHYL (1S,2S)-3-{(2S)-4-[(3AS,8S,8AR)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D][1,3]OXAZOL-8-YL]-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | | Authors: | Smith III, A.B, Charnley, A.K, Kuo, L.C, Munshi, S. | | Deposit date: | 2005-10-17 | | Release date: | 2005-11-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors possessing augmented P2' side chains
Bioorg.Med.Chem.Lett., 16, 2006
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2BBU
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1XGT
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1K1T
 | | Combining Mutations in HIV-1 Protease to Understand Mechanisms of Resistance | | Descriptor: | N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE RETROPEPSIN, SULFATE ION | | Authors: | Mahalingam, B, Boross, P, Wang, Y.-F, Louis, J.M, Fischer, C, Tozser, J, Harrison, R.W, Weber, I.T. | | Deposit date: | 2001-09-25 | | Release date: | 2002-07-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Combining mutations in HIV-1 protease to understand mechanisms of resistance.
Proteins, 48, 2002
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1XH5
 | | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | | Descriptor: | (R,R)-2,3-BUTANEDIOL, N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, ... | | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-09-17 | | Release date: | 2005-09-17 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
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1XHE
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1K2A
 | | Modified Form of Eosinophil-derived Neurotoxin | | Descriptor: | SULFATE ION, eosinophil-derived neurotoxin | | Authors: | Chang, C, Newton, D.L, Rybak, S.M, Wlodawer, A. | | Deposit date: | 2001-09-26 | | Release date: | 2002-04-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Crystallographic and functional studies of a modified form of eosinophil-derived neurotoxin (EDN) with novel biological activities.
J.Mol.Biol., 317, 2002
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1JTI
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1XEF
 | | Crystal structure of the ATP/Mg2+ bound composite dimer of HlyB-NBD | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein hlyB, MAGNESIUM ION | | Authors: | Zaitseva, J, Jenewein, S, Holland, I.B, Schmitt, L. | | Deposit date: | 2004-09-10 | | Release date: | 2005-06-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | H662 is the linchpin of ATP hydrolysis in the nucleotide-binding domain of the ABC transporter HlyB
Embo J., 24, 2005
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1JKD
 | | HUMAN LYSOZYME MUTANT WITH TRP 109 REPLACED BY ALA | | Descriptor: | LYSOZYME, NITRATE ION | | Authors: | Muraki, M, Harata, K, Goda, S, Nagahora, H. | | Deposit date: | 1996-11-13 | | Release date: | 1997-05-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Importance of van der Waals contact between Glu 35 and Trp 109 to the catalytic action of human lysozyme.
Protein Sci., 6, 1997
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