4J0Y
 
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4R,5S)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide | | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4R,5S)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ... | | Authors: | Kuglstatter, A, Stihle, M. | | Deposit date: | 2013-01-31 | | Release date: | 2013-05-01 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
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4J1C
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((S)-2-amino-5,5-difluoro-4-fluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide | | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S)-2-amino-5,5-difluoro-4-(fluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ... | | Authors: | Kuglstatter, A, Stihle, M. | | Deposit date: | 2013-02-01 | | Release date: | 2013-05-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
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1Q3Y
 | | NMR structure of the Cys28His mutant (D form) of the nucleocapsid protein NCp7 of HIV-1. | | Descriptor: | GAG protein, ZINC ION | | Authors: | Ramboarina, S, Druillennec, S, Morellet, N, Bouaziz, S, Roques, B.P. | | Deposit date: | 2003-08-01 | | Release date: | 2004-09-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Target specificity of human immunodeficiency virus type 1 NCp7 requires an intact conformation of its CCHC N-terminal zinc finger.
J.Virol., 78, 2004
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1YUK
 | | The crystal structure of the PSI/Hybrid domain/ I-EGF1 segment from the human integrin beta2 at 1.8 resolution | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, Integrin beta-2 A chain, Integrin beta-2 B chain | | Authors: | Shi, M, Sundramurthy, K, Liu, B, Tan, S.M, Law, S.K, Lescar, J. | | Deposit date: | 2005-02-14 | | Release date: | 2005-07-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Crystal Structure of the Plexin-Semaphorin-Integrin Domain/Hybrid Domain/I-EGF1 Segment from the Human Integrin {beta}2 Subunit at 1.8-A Resolution
J.Biol.Chem., 280, 2005
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3E8L
 | | The Crystal Structure of the Double-headed Arrowhead Protease Inhibitor A in Complex with Two Trypsins | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Bao, R, Jiang, C.-H, Chi, C.W, Lin, S.X, Chen, Y.X. | | Deposit date: | 2008-08-20 | | Release date: | 2009-07-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | The ternary structure of double-headed arrowhead protease inhibitor API-A complexed with two trypsins reveals a novel reactive site conformation.
J.Biol.Chem., 284, 2009
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1PPH
 | | GEOMETRY OF BINDING OF THE NALPHA-TOSYLATED PIPERIDIDES OF M-AMIDINO-, P-AMIDINO-AND P-GUANIDINO PHENYLALANINE TO THROMBIN AND TRYPSIN: X-RAY CRYSTAL STRUCTURES OF THEIR TRYPSIN COMPLEXES AND MODELING OF THEIR THROMBIN COMPLEXES | | Descriptor: | 3-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide, CALCIUM ION, SULFATE ION, ... | | Authors: | Bode, W, Turk, D. | | Deposit date: | 1991-10-24 | | Release date: | 1994-01-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Geometry of binding of the N alpha-tosylated piperidides of m-amidino-, p-amidino- and p-guanidino phenylalanine to thrombin and trypsin. X-ray crystal structures of their trypsin complexes and modeling of their thrombin complexes.
FEBS Lett., 287, 1991
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6HFY
 | | Influenza A virus N6 neuraminidase complex with DANA (Duck/England/56). | | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | | Deposit date: | 2018-08-22 | | Release date: | 2018-08-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation)
To Be Published
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4J17
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((S)-2-amino-4-difluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide | | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S)-2-amino-4-(difluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ... | | Authors: | Kuglstatter, A, Stihle, M. | | Deposit date: | 2013-02-01 | | Release date: | 2013-05-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
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2V34
 | | IspE in complex with cytidine and ligand | | Descriptor: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, CHLORIDE ION, ... | | Authors: | Sgraja, T, Alphey, M.S, Hunter, W.N. | | Deposit date: | 2007-06-11 | | Release date: | 2007-06-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Characterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery.
FEBS J., 275, 2008
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6HG5
 | | Influenza A virus N6 neuraminidase complex with Oseltamivir (Duck/England/56). | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | | Deposit date: | 2018-08-22 | | Release date: | 2018-08-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site.
To Be Published
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2DA9
 | | Solution structure of the third SH3 domain of SH3-domain kinase binding protein 1 (Regulator of ubiquitous kinase, Ruk) | | Descriptor: | SH3-domain kinase binding protein 1 | | Authors: | Ohnishi, S, Kigawa, T, Saito, K, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-12-13 | | Release date: | 2006-06-13 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the third SH3 domain of SH3-domain kinase binding protein 1 (Regulator of ubiquitous kinase, Ruk)
To be Published
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7ARB
 | | Cryo-EM structure of Arabidopsis thaliana Complex-I (complete composition) | | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, ... | | Authors: | Klusch, N, Kuelbrandt, W, Yildiz, O. | | Deposit date: | 2020-10-23 | | Release date: | 2021-12-15 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Plant Cell, 33, 2021
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3EG6
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1ZM0
 | | Crystal Structure of the Carboxyl Terminal PH Domain of Pleckstrin To 2.1 Angstroms | | Descriptor: | Pleckstrin | | Authors: | Jackson, S.G, Zhang, Y, Zhang, K, Summerfield, R, Haslam, R.J, Junop, M.S. | | Deposit date: | 2005-05-09 | | Release date: | 2006-02-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the carboxy-terminal PH domain of pleckstrin at 2.1 Angstroms.
Acta Crystallogr.,Sect.D, 62, 2006
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2D7L
 | | Solution structure of the HMG box domain from human WD repeat and HMG-box DNA binding protein 1 | | Descriptor: | WD repeat and HMG-box DNA binding protein 1 | | Authors: | Tomizawa, T, Kigawa, T, Saito, K, Koshiba, S, Inoue, M, Kamatari, Y.O, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-11-24 | | Release date: | 2006-05-24 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the HMG box domain from human WD repeat and HMG-box DNA binding protein 1
To be Published
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7AR8
 | | Cryo-EM structure of Arabidopsis thaliana complex-I (closed conformation) | | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, ... | | Authors: | Klusch, N, Kuelbrandt, W, Yildiz, O. | | Deposit date: | 2020-10-23 | | Release date: | 2021-12-15 | | Last modified: | 2025-10-01 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Plant Cell, 33, 2021
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2ZAJ
 | | Solution structure of the short-isoform of the second WW domain from the human membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 (MAGI-1) | | Descriptor: | Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 | | Authors: | Ohnishi, S, Tochio, N, Tomizawa, T, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-10-05 | | Release date: | 2008-04-15 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the short-isoform of the second WW domain from the human membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 (MAGI-1)
To be Published
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3EGT
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-722 | | Descriptor: | 1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION | | Authors: | Cao, R, Gao, Y, Robinson, H, Oldfield, E. | | Deposit date: | 2008-09-11 | | Release date: | 2009-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
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1J8Q
 | | Low Temperature (100K) Crystal Structure of Flavodoxin D. vulgaris Wild-type at 1.35 Angstrom Resolution | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | | Authors: | Artali, R, Bombieri, G, Meneghetti, F, Gilardi, G, Sadeghi, S.J, Cavazzini, D, Rossi, G.L. | | Deposit date: | 2001-05-22 | | Release date: | 2001-09-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Comparison of the refined crystal structures of wild-type (1.34 A) flavodoxin from Desulfovibrio vulgaris and the S35C mutant (1.44 A) at 100 K.
Acta Crystallogr.,Sect.D, 58, 2002
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1ZOH
 | | Crystal structure of protein kinase CK2 in complex with TBB-derivatives inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 5,6,7,8-TETRABROMO-1-METHYL-2,3-DIHYDRO-1H-IMIDAZO[1,2-A]BENZIMIDAZOLE, CHLORIDE ION, ... | | Authors: | Battistutta, R, Mazzorana, M, Sarno, S, Kazimierczuk, Z, Zanotti, G, Pinna, L.A. | | Deposit date: | 2005-05-13 | | Release date: | 2005-11-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Inspecting the structure-activity relationship of protein kinase CK2 inhibitors derived from tetrabromo-benzimidazole.
Chem.Biol., 12, 2005
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4J0Z
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4S,5R)-2-amino-5-fluoro-4-fluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide | | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S,5R)-2-amino-5-fluoro-4-(fluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ... | | Authors: | Kuglstatter, A, Stihle, M. | | Deposit date: | 2013-01-31 | | Release date: | 2013-05-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
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4J1F
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4S,6S)-2-amino-4-methyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide | | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ... | | Authors: | Kuglstatter, A, Stihle, M. | | Deposit date: | 2013-02-01 | | Release date: | 2013-05-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
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3EQ8
 | | Prolyl oligopeptidase complexed with R-Pro-(decarboxy-Pro)-Type inhibitors | | Descriptor: | 1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one, Prolyl endopeptidase | | Authors: | Kanai, K, Aranyi, P, Bocskei, Z, Ferenczy, G, Harmat, V, Simon, K, Naray-Szabo, G, Hermecz, I. | | Deposit date: | 2008-09-30 | | Release date: | 2009-08-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Prolyl oligopeptidase inhibition by N-acyl-pro-pyrrolidine-type molecules
J.Med.Chem., 51, 2008
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4BQ1
 | | Crystal structure of of LamAcat from Zobellia galactanivorans | | Descriptor: | CALCIUM ION, ENDO-1,3-BETA-GLUCANASE, FAMILY GH16, ... | | Authors: | Labourel, A, Jam, M, Jeudy, A, Michel, G, Czjzek, M. | | Deposit date: | 2013-05-29 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Beta Glucanase Zglama from Zobellia Galactanivorans Evolved a Bent Active Site Adapted for Efficient Degradation of Algal Laminarin
J.Biol.Chem., 289, 2014
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2OVJ
 | | The crystal structure of the human Rac GTPase activating protein 1 (RACGAP1) MgcRacGAP. | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Rac GTPase-activating protein 1 | | Authors: | Shrestha, L, Papagrigoriou, E, Soundararajan, M, Elkins, J, Johansson, C, von Delft, F, Pike, A.C.W, Burgess, N, Turnbull, A, Debreczeni, J, Gorrec, F, Umeano, C, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-02-14 | | Release date: | 2007-02-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | The crystal structure of the human Rac GTPase activating protein 1 (RACGAP1) MgcRacGAP.
To be Published
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