4HSV
| Crystal Structure of CXCL4L1 | Descriptor: | Platelet factor 4 variant | Authors: | Kuo, J.H, Liu, J.S, Wu, W.G, Sue, S.C. | Deposit date: | 2012-10-30 | Release date: | 2013-04-10 | Last modified: | 2013-07-31 | Method: | X-RAY DIFFRACTION (2.083 Å) | Cite: | Alternative C-terminal helix orientation alters chemokine function: structure of the anti-angiogenic chemokine, CXCL4L1 J.Biol.Chem., 288, 2013
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3HSC
| THREE-DIMENSIONAL STRUCTURE OF THE ATPASE FRAGMENT OF A 70K HEAT-SHOCK COGNATE PROTEIN | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT-SHOCK COGNATE 7OKD PROTEIN, MAGNESIUM ION, ... | Authors: | Flaherty, K.M, Deluca-Flaherty, C.R, Mckay, D.B. | Deposit date: | 1995-03-24 | Release date: | 1995-07-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Three-dimensional structure of the ATPase fragment of a 70K heat-shock cognate protein. Nature, 346, 1990
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4I12
| Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors | Descriptor: | 2-{(1S)-1-{[(1Z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]amino}-2-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5H)-one, Beta-secretase 1, SODIUM ION, ... | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | Deposit date: | 2012-11-19 | Release date: | 2013-03-06 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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3PIT
| Crystal structure of M-RasD41E in complex with GppNHp (type 2) | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein M-Ras | Authors: | Muraoka, S, Matsumoto, K, Shima, F, Hu, L, Ijiri, Y, Hirai, R, Liao, J, Kataoka, T. | Deposit date: | 2010-11-08 | Release date: | 2011-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of M-RasD41E in complex with GppNHp (type 2) To be Published
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3HDG
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4ALO
| STRUCTURE AND PROPERTIES OF H1 CRUSTACYANIN FROM LOBSTER HOMARUS AMERICANUS | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, H1 APOCRUSTACYANIN, SODIUM ION, ... | Authors: | Ferrari, M, Folli, C, Pincolini, E, Mcclintock, T.S, Roessle, M, Berni, R, Cianci, M. | Deposit date: | 2012-03-05 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural Characterization of Recombinant Crustacyanin Subunits from the Lobster Homarus Americanus. Acta Crystallogr.,Sect.F, 68, 2012
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4J9H
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3HGP
| Structure of porcine pancreatic elastase complexed with a potent peptidyl inhibitor FR130180 determined by high resolution crystallography | Descriptor: | 4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid, CALCIUM ION, Elastase-1, ... | Authors: | Tamada, T, Kinoshita, T, Kuroki, R, Tada, T. | Deposit date: | 2009-05-14 | Release date: | 2009-07-28 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Combined High-Resolution Neutron and X-ray Analysis of Inhibited Elastase Confirms the Active-Site Oxyanion Hole but Rules against a Low-Barrier Hydrogen Bond J.Am.Chem.Soc., 131, 2009
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4APY
| Ethylene glycol-bound form of P450 CYP125A3 from Mycobacterium smegmatis | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, P450 HEME-THIOLATE PROTEIN, ... | Authors: | Frank, D.J, Garcia Fernandez, E, Kells, P.M, Garcia Lopez, J.L, Podust, L.M, Ortiz de Montellano, P.R. | Deposit date: | 2012-04-09 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway. Environ.Microbiol., 15, 2013
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3PLD
| Endothiapepsin in complex with a fragment | Descriptor: | 4-chlorobenzyl carbamimidothioate, Endothiapepsin, GLYCEROL | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-11-15 | Release date: | 2011-11-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes. J.Med.Chem., 54, 2011
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3PLK
| Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Tziridis, A, Neumann, P, Braeuer, U, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-11-15 | Release date: | 2011-12-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3PPW
| Crystal structure of the D1596A mutant of an engineered VWF A2 domain (N1493C and C1670S) | Descriptor: | SODIUM ION, von Willebrand factor | Authors: | Zhou, M, Dong, X, Zhong, C, Ding, J. | Deposit date: | 2010-11-25 | Release date: | 2011-05-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13 Blood, 117, 2011
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3PMU
| Endothiapepsin in complex with a fragment | Descriptor: | (2S)-1-[(2-fluorobenzyl)oxy]-3-(pyrrolidin-1-yl)propan-2-ol, Endothiapepsin | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-11-18 | Release date: | 2011-11-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes. J.Med.Chem., 54, 2011
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4AHE
| K17I - Angiogenin mutants and amyotrophic lateral sclerosis - a biochemical and biological analysis | Descriptor: | ANGIOGENIN, L(+)-TARTARIC ACID | Authors: | Thiyagarajan, N, Ferguson, R, Saha, S, Pham, T, Subramanian, V, Acharya, K.R. | Deposit date: | 2012-02-06 | Release date: | 2012-10-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons. Nat.Commun., 3, 2012
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3PVE
| Crystal structure of the G2 domain of Agrin from Mus Musculus | Descriptor: | Agrin, Agrin protein | Authors: | Sampathkumar, P, Do, J, Bain, K, Freeman, J, Gheyi, T, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-12-07 | Release date: | 2011-01-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of the G2 domain of Agrin from Mus Musculus To be Published
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3GYS
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4BQL
| Crystal structure of archaeal actin | Descriptor: | ACTIN/ACTIN FAMILY PROTEIN, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Lindaas, A.-C, Chruszsz, M, Bernander, R, Valegard, K. | Deposit date: | 2013-05-31 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.34 Å) | Cite: | Structure of Crenactin, an Archaeal Actin Homologue Active at 90Degc. Acta Crystallogr.,Sect.D, 70, 2014
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3PWR
| HIV-1 Protease Mutant L76V complexed with Saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Zhang, Y, Weber, I.T. | Deposit date: | 2010-12-08 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The L76V Drug Resistance Mutation Decreases the Dimer Stability and Rate of Autoprocessing of HIV-1 Protease by Reducing Internal Hydrophobic Contacts. Biochemistry, 50, 2011
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4J6M
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3PWW
| Endothiapepsin in complex with saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Endothiapepsin, GLYCEROL | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-12-09 | Release date: | 2011-12-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
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4J94
| Crystal structure of MycP1 from the ESX-1 type VII secretion system | Descriptor: | Membrane-anchored mycosin mycp1 | Authors: | Solomonson, M, Wasney, G.A, Watanabe, N, Gruninger, R.J, Prehna, G, Strynadka, N.C.J. | Deposit date: | 2013-02-15 | Release date: | 2013-05-01 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.857 Å) | Cite: | Structure of the Mycosin-1 Protease from the Mycobacterial ESX-1 Protein Type VII Secretion System. J.Biol.Chem., 288, 2013
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3GQG
| Crystal structure at acidic pH of the ferric form of the Root effect hemoglobin from Trematomus bernacchii. | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Vergara, A, Franzese, M, Merlino, A, Bonomi, G, Mazzarella, L. | Deposit date: | 2009-03-24 | Release date: | 2009-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Correlation between hemichrome stability and the root effect in tetrameric hemoglobins. Biophys.J., 97, 2009
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4JA2
| Structural basis of a rationally rewired protein-protein interface (RR468mutant V13P, L14I, I17M and N21V) | Descriptor: | ACETATE ION, MAGNESIUM ION, Response regulator, ... | Authors: | Podgornaia, A.I, Casino, P, Marina, A, Laub, M.T. | Deposit date: | 2013-02-18 | Release date: | 2013-09-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural basis of a rationally rewired protein-protein interface critical to bacterial signaling Structure, 21, 2013
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3GRC
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3H57
| Myoglobin Cavity Mutant H64LV68N Deoxy form | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Soman, J, Olson, J.S. | Deposit date: | 2009-04-21 | Release date: | 2009-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Optical detection of disordered water within a protein cavity. J.Am.Chem.Soc., 131, 2009
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