4MSL
 
 | | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF40431 | | Descriptor: | N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine, Sortilin, TETRAETHYLENE GLYCOL, ... | | Authors: | Andersen, J.L, Strandbygaard, D, Thirup, S. | | Deposit date: | 2013-09-18 | | Release date: | 2014-02-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor-ligand complex.
Acta Crystallogr.,Sect.D, 70, 2014
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4P27
 | | Structure of Schistosoma mansoni venom allergen-like protein 4 (SmVAL4) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Venom allergen-like (VAL) 4 protein | | Authors: | Asojo, O.A. | | Deposit date: | 2014-03-02 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Schistosoma mansoni venom allergen-like protein 4 (SmVAL4) is a novel lipid-binding SCP/TAPS protein that lacks the prototypical CAP motifs.
Acta Crystallogr.,Sect.D, 70, 2014
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4N58
 | | Crystal Structure of Pectocin M2 at 1.86 Angstroms | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Grinter, R, Roszak, A.W, Zeth, K, Cogdell, C.J, Walker, D. | | Deposit date: | 2013-10-09 | | Release date: | 2014-06-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structure of the atypical bacteriocin pectocin M2 implies a novel mechanism of protein uptake.
Mol.Microbiol., 93, 2014
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4N7E
 | | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF38469 | | Descriptor: | 2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, ... | | Authors: | Andersen, J.L, Strandbygaard, D, Thirup, S. | | Deposit date: | 2013-10-15 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The identification of AF38469: An orally bioavailable inhibitor of the VPS10P family sorting receptor Sortilin.
Bioorg.Med.Chem.Lett., 24, 2014
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4N59
 | | The Crystal Structure of Pectocin M2 at 2.3 Angstroms | | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, Pectocin M2, ... | | Authors: | Zeth, K, Grinter, R, Roszak, A.W, Cogdell, R.J, Walker, D. | | Deposit date: | 2013-10-09 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the atypical bacteriocin pectocin M2 implies a novel mechanism of protein uptake.
Mol.Microbiol., 93, 2014
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4O1P
 | | Crystal Structure of RNase L in complex with 2-5A and AMP-PNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribonuclease L, ... | | Authors: | Huang, H, Zeqiraj, E, Ceccarelli, D.F, Sicheri, F. | | Deposit date: | 2013-12-16 | | Release date: | 2014-02-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dimeric structure of pseudokinase RNase L bound to 2-5A reveals a basis for interferon-induced antiviral activity.
Mol.Cell, 53, 2014
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4O2G
 | | Crystal structure of carbomonoxy murine neuroglobin mutant V140W | | Descriptor: | CARBON MONOXIDE, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Avella, G, Savino, C, Vallone, B. | | Deposit date: | 2013-12-17 | | Release date: | 2014-06-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
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4NZI
 | | Crystal structure of murine neuroglobin mutant V140W | | Descriptor: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Avella, G, Savino, C, Vallone, B. | | Deposit date: | 2013-12-12 | | Release date: | 2014-06-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
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4MF0
 | | ITK kinase domain in complex with benzothiazole inhibitor compound 12a (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6-(PYRIDIN-3-YL)-1,3-BENZOTHIAZOL-2-YL]CYCLOPROPANECARBOXAMIDE (12a) | | Descriptor: | (1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide, Tyrosine-protein kinase ITK/TSK | | Authors: | Eigenbrot, C, Shia, S. | | Deposit date: | 2013-08-27 | | Release date: | 2013-11-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK).
Bioorg.Med.Chem.Lett., 23, 2013
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4MF1
 | | ITK kinase domain in complex with benzothiazole inhibitor 12b (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6-(1H-PYRAZOL-4-YL)-1,3-BENZOTHIAZOL-2-YL]CYCLOPROPANECARBOXAMIDE | | Descriptor: | (1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide, Tyrosine-protein kinase ITK/TSK | | Authors: | Eigenbrot, C, Shia, S. | | Deposit date: | 2013-08-27 | | Release date: | 2013-11-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.113 Å) | | Cite: | Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK).
Bioorg.Med.Chem.Lett., 23, 2013
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4PP9
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4O35
 | | Crystal structure of carbomonoxy murine neuroglobin mutant F106W | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, CARBON MONOXIDE, Neuroglobin, ... | | Authors: | Avella, G, Savino, C, Vallone, B. | | Deposit date: | 2013-12-18 | | Release date: | 2014-06-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
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4MRB
 | | Wild Type Human Transthyretin pH 7.5 | | Descriptor: | CALCIUM ION, Transthyretin | | Authors: | Chen, W.J, Wood, S.P. | | Deposit date: | 2013-09-17 | | Release date: | 2014-01-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Proteolytic cleavage of Ser52Pro variant transthyretin triggers its amyloid fibrillogenesis.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4MRC
 | | Human Transthyretin Ser52Pro Mutant | | Descriptor: | CALCIUM ION, Transthyretin | | Authors: | Chen, W.J, Wood, S.P. | | Deposit date: | 2013-09-17 | | Release date: | 2014-01-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Proteolytic cleavage of Ser52Pro variant transthyretin triggers its amyloid fibrillogenesis.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4PPC
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4PPB
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4MU5
 | | Crystal structure of murine neuroglobin mutant M144W | | Descriptor: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Vallone, B, Avella, G, Savino, C, Ardiccioni, C, Brunori, M. | | Deposit date: | 2013-09-20 | | Release date: | 2014-06-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
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4PPA
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4QKO
 | | The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms | | Descriptor: | BROMIDE ION, MAGNESIUM ION, Pyocin-S2, ... | | Authors: | Grinter, R, Josts, I, Roszak, A.W, Cogdell, C.J, Walker, D. | | Deposit date: | 2014-06-07 | | Release date: | 2015-06-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insights into pyocin S2
To be Published
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4O1O
 | | Crystal Structure of RNase L in complex with 2-5A | | Descriptor: | Ribonuclease L, [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate | | Authors: | Huang, H, Zeqiraj, E, Ceccarelli, D.F, Sicheri, F. | | Deposit date: | 2013-12-16 | | Release date: | 2014-02-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.27 Å) | | Cite: | Dimeric structure of pseudokinase RNase L bound to 2-5A reveals a basis for interferon-induced antiviral activity.
Mol.Cell, 53, 2014
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1M7N
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1NPV
 | | Crystal structure of HIV-1 protease complexed with LDC271 | | Descriptor: | POL polyprotein, {1-BENZYL-3-[2-BENZYL-3-OXO-4-(1-OXO-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-4-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL]-2- HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | | Authors: | Smith, A.B. | | Deposit date: | 2003-01-20 | | Release date: | 2003-02-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors.
J.Med.Chem., 46, 2003
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1MVE
 | | Crystal structure of a natural circularly-permutated jellyroll protein: 1,3-1,4-beta-D-glucanase from Fibrobacter succinogenes | | Descriptor: | CALCIUM ION, Truncated 1,3-1,4-beta-D-glucanase | | Authors: | Tsai, L.-C, Shyur, L.-F, Lee, S.-H, Lin, S.-S, Yuan, H.S. | | Deposit date: | 2002-09-25 | | Release date: | 2003-07-15 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of a Natural Circularly Permuted Jellyroll Protein: 1,3-1,4-beta-D-Glucanase from Fibrobacter succinogenes.
J.Mol.Biol., 330, 2003
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1NS3
 | | STRUCTURE OF HCV PROTEASE (BK STRAIN) | | Descriptor: | NS3 PROTEASE, NS4A PEPTIDE, ZINC ION | | Authors: | Yan, Y, Munshi, S, Chen, Z. | | Deposit date: | 1997-04-05 | | Release date: | 1998-04-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Complex of NS3 protease and NS4A peptide of BK strain hepatitis C virus: a 2.2 A resolution structure in a hexagonal crystal form.
Protein Sci., 7, 1998
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1NZR
 | | CRYSTAL STRUCTURE OF THE AZURIN MUTANT NICKEL-TRP48MET FROM PSEUDOMONAS AERUGINOSA AT 2.2 ANGSTROMS RESOLUTION | | Descriptor: | AZURIN, NICKEL (II) ION, NITRATE ION | | Authors: | Tsai, L.-C, Sjolin, L, Langer, V, Bonander, N, Karlsson, B.G, Vanngard, T, Hammann, C, Nar, H. | | Deposit date: | 1994-12-09 | | Release date: | 1995-02-27 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the azurin mutant nickel-Trp48Met from Pseudomonas aeruginosa at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 51, 1995
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