2NQZ
 
 | | Trna-guanine transglycosylase (TGT) mutant in complex with 7-deaza-7-aminomethyl-guanine | | Descriptor: | 7-DEAZA-7-AMINOMETHYL-GUANINE, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | Authors: | Tidten, N, Heine, A, Reuter, K, Klebe, G. | | Deposit date: | 2006-11-01 | | Release date: | 2007-11-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor
Plos One, 8, 2013
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2I0H
 | | The structure of p38alpha in complex with an arylpyridazinone | | Descriptor: | 2-(3-{(2-CHLORO-4-FLUOROPHENYL)[1-(2-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL]AMINO}PROPYL)-1H-ISOINDOLE-1,3(2H)-DIONE, GLYCEROL, Mitogen-activated protein kinase 14 | | Authors: | Natarajan, S.R, Heller, S.T, Nam, K, Singh, S.B, Scapin, G, Patel, S, Thompson, J.E, Fitzgerald, C.E, O'Keefe, S.J. | | Deposit date: | 2006-08-10 | | Release date: | 2006-10-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | p38 MAP Kinase Inhibitors Part 6: 2-Arylpyridazin-3-ones as templates for inhibitor design.
Bioorg.Med.Chem.Lett., 16, 2006
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1LR0
 | | Pseudomonas aeruginosa TolA Domain III, Seleno-methionine Derivative | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TolA protein, ZINC ION | | Authors: | Witty, M, Sanz, C, Shah, A, Grossman, J.G, Mizuguchi, K, Perham, R.N, Luisi, B. | | Deposit date: | 2002-05-14 | | Release date: | 2002-05-29 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (1.914 Å) | | Cite: | Structure of the periplasmic domain of Pseudomonas aeruginosa TolA: evidence for an evolutionary relationship with the TonB transporter protein.
EMBO J., 21, 2002
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1LP7
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1M4E
 | | Solution Structure of Hepcidin-20 | | Descriptor: | Hepcidin | | Authors: | Hunter, H.N, Fulton, D.B, Ganz, T, Vogel, H.J. | | Deposit date: | 2002-07-02 | | Release date: | 2002-11-06 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | The solution structure of human hepcidin, a peptide hormone with antimicrobial activity that is involved in iron uptake and hereditary hemochromatosis.
J.Biol.Chem., 277, 2002
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2L9C
 | | Structural insights into the specificity of darcin, an atypical major urinary protein. | | Descriptor: | Darcin | | Authors: | Phelan, M.M, Mclean, L, Beynon, R.J, Hurst, J.L, Lian, L. | | Deposit date: | 2011-02-07 | | Release date: | 2012-02-08 | | Last modified: | 2023-12-06 | | Method: | SOLUTION NMR | | Cite: | Structural insights into the specificity of darcin, an atypical major urinary protein.
To be Published
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1GWR
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1HFX
 | | ALPHA-LACTALBUMIN | | Descriptor: | ALPHA-LACTALBUMIN, CALCIUM ION | | Authors: | Pike, A.C.W, Brew, K, Acharya, K.R. | | Deposit date: | 1996-06-13 | | Release date: | 1997-07-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of guinea-pig, goat and bovine alpha-lactalbumin highlight the enhanced conformational flexibility of regions that are significant for its action in lactose synthase.
Structure, 4, 1996
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1HFY
 | | ALPHA-LACTALBUMIN | | Descriptor: | ALPHA-LACTALBUMIN, CALCIUM ION | | Authors: | Pike, A.C.W, Brew, K, Acharya, K.R. | | Deposit date: | 1996-06-13 | | Release date: | 1997-07-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of guinea-pig, goat and bovine alpha-lactalbumin highlight the enhanced conformational flexibility of regions that are significant for its action in lactose synthase.
Structure, 4, 1996
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1HFZ
 | | ALPHA-LACTALBUMIN | | Descriptor: | ALPHA-LACTALBUMIN, CALCIUM ION | | Authors: | Pike, A.C.W, Brew, K, Acharya, K.R. | | Deposit date: | 1996-06-13 | | Release date: | 1997-07-29 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of guinea-pig, goat and bovine alpha-lactalbumin highlight the enhanced conformational flexibility of regions that are significant for its action in lactose synthase.
Structure, 4, 1996
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2J0T
 | | Crystal Structure of the Catalytic Domain of MMP-1 in Complex with the Inhibitory Domain of TIMP-1 | | Descriptor: | CALCIUM ION, INTERSTITIAL COLLAGENASE, METALLOPROTEINASE INHIBITOR 1, ... | | Authors: | Iyer, S, Wei, S, Brew, K, Acharya, K.R. | | Deposit date: | 2006-08-04 | | Release date: | 2006-10-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Matrix Metalloproteinase-1 in Complex with the Inhibitory Domain of Tissue Inhibitor of Metalloproteinase-1.
J.Biol.Chem., 282, 2007
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2JK5
 | | Potassium Channel KcsA in complex with Tetrabutylammonium in high K | | Descriptor: | (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE, ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, ... | | Authors: | Lenaeus, M.J, Focia, P.J, Wagner, T, Gross, A. | | Deposit date: | 2008-08-15 | | Release date: | 2009-11-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of Kcsa in Complex with Symmetrical Quaternary Ammonium Compounds Reveal a Hydrophobic Binding Site.
Biochemistry, 53, 2014
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2EPE
 | | Crystal structure analysis of Hen egg white lysozyme grown by capillary method | | Descriptor: | Lysozyme C | | Authors: | Naresh, M.D, Subramanian, V, Jaimohan, S.M, Rajaram, A, Arumugam, V, Usha, R, Mandal, A.B. | | Deposit date: | 2007-03-29 | | Release date: | 2007-04-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure analysis of Hen egg white lysozyme grown by capillary method
To be published
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2M52
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2CLT
 | | Crystal structure of the active form (full-length) of human fibroblast collagenase. | | Descriptor: | CALCIUM ION, INTERSTITIAL COLLAGENASE, ZINC ION | | Authors: | Iyer, S, Visse, R, Nagase, H, Acharya, K.R. | | Deposit date: | 2006-04-29 | | Release date: | 2006-08-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Crystal Structure of an Active Form of Human Mmp-1.
J.Mol.Biol., 362, 2006
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1KYN
 | | Cathepsin-G | | Descriptor: | (2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID, cathepsin G | | Authors: | Greco, M.N, Hawkins, M.J, Powell, E.T, Almond Jr, H.R, Corcoran, T.W, De Garavilla, L, Kauffman, J.A, Recacha, R, Chattopadhyay, D, Andrade-Gordon, P, Maryanoff, B.E. | | Deposit date: | 2002-02-05 | | Release date: | 2002-05-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Nonpeptide inhibitors of cathepsin G: optimization of a novel beta-ketophosphonic acid lead by structure-based drug design.
J.Am.Chem.Soc., 124, 2002
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1KT9
 | | Crystal Structure of C. elegans Ap4A Hydrolase | | Descriptor: | Diadenosine Tetraphosphate Hydrolase | | Authors: | Bailey, S, Sedelnikova, S.E, Blackburn, G.M, Abdelghany, H.M, Baker, P.J, McLennan, A.G, Rafferty, J.B. | | Deposit date: | 2002-01-15 | | Release date: | 2002-05-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The crystal structure of diadenosine tetraphosphate hydrolase from Caenorhabditis elegans in free and binary complex forms
Structure, 10, 2002
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2JKH
 | | Factor Xa - cation inhibitor complex | | Descriptor: | 3-[(3~{a}~{S},4~{R},8~{a}~{S},8~{b}~{R})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{H}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Salonen, L.M, Bucher, C, Banner, D.W, Benz, J, Haap, W, Mary, J.L, Schweizer, W.B, Seiler, P, Kuster, O, Diederich, F. | | Deposit date: | 2008-08-28 | | Release date: | 2009-01-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Cation-Pi Interactions at the Active Site of Factor Xa: Dramatic Enhancement Upon Stepwise N-Alkylation of Ammonium Ions.
Angew.Chem.Int.Ed.Engl., 48, 2009
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1SQ5
 | | Crystal Structure of E. coli Pantothenate kinase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PANTOTHENOIC ACID, Pantothenate kinase | | Authors: | Ivey, R.A, Zhang, Y.-M, Virga, K.G, Hevener, K, Lee, R.E, Rock, C.O, Jackowski, S, Park, H.-W. | | Deposit date: | 2004-03-17 | | Release date: | 2004-09-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The structure of the pantothenate kinase.ADP.pantothenate ternary complex reveals the relationship between the binding sites for substrate, allosteric regulator, and antimetabolites.
J.Biol.Chem., 279, 2004
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1O86
 | | Crystal Structure of Human Angiotensin Converting Enzyme in complex with lisinopril. | | Descriptor: | ANGIOTENSIN CONVERTING ENZYME, CHLORIDE ION, GLYCINE, ... | | Authors: | Natesh, R, Schwager, S.L.U, Sturrock, E.D, Acharya, K.R. | | Deposit date: | 2002-11-25 | | Release date: | 2003-02-07 | | Last modified: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of the Human Angiotensin-Converting Enzyme-Lisinopril Complex
Nature, 421, 2003
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2GX5
 | | N-terminal GAF domain of transcriptional pleiotropic repressor CodY | | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, GLYCEROL, GTP-sensing transcriptional pleiotropic repressor codY, ... | | Authors: | Wilkinson, A.J, Levdikov, V.M, Blagova, E.V. | | Deposit date: | 2006-05-08 | | Release date: | 2007-04-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | The structure of CodY, a GTP- and isoleucine-responsive regulator of stationary phase and virulence in gram-positive bacteria.
J.Biol.Chem., 281, 2006
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2H6Z
 | | Crystal Structure of Thioredoxin Mutant E44D in Hexagonal (p61) Space Group | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin | | Authors: | Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M. | | Deposit date: | 2006-06-01 | | Release date: | 2007-05-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A stability pattern of protein hydrophobic mutations that reflects evolutionary structural optimization.
Biophys.J., 89, 2005
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1O8A
 | | Crystal Structure of Human Angiotensin Converting Enzyme (Native). | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ANGIOTENSIN CONVERTING ENZYME, ... | | Authors: | Natesh, R, Schwager, S.L.U, Sturrock, E.D, Acharya, K.R. | | Deposit date: | 2002-11-26 | | Release date: | 2003-02-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the human angiotensin-converting enzyme-lisinopril complex.
Nature, 421, 2003
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2MVT
 | | Solution structure of scoloptoxin SSD609 from Scolopendra mutilans | | Descriptor: | Scoloptoxin SSD609 | | Authors: | Wu, F, Sun, P, Wang, C, He, Y, Zhang, L, Tian, C. | | Deposit date: | 2014-10-14 | | Release date: | 2015-09-23 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | A distinct three-helix centipede toxin SSD609 inhibits Iks channels by interacting with the KCNE1 auxiliary subunit.
Sci Rep, 5, 2015
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1M4F
 | | Solution Structure of Hepcidin-25 | | Descriptor: | Hepcidin | | Authors: | Hunter, H.N, Fulton, D.B, Ganz, T, Vogel, H.J. | | Deposit date: | 2002-07-02 | | Release date: | 2002-11-06 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | The solution structure of human hepcidin, a peptide hormone with antimicrobial activity that is involved in iron uptake and hereditary hemochromatosis.
J.Biol.Chem., 277, 2002
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