4KP0
 
 | | Crystal Structure of the human Chymase with TJK002 | | Descriptor: | 4-({1-[(4-methyl-1-benzothiophen-3-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)butanoic acid, Chymase | | Authors: | Kakuda, S, Takimoto-Kamimura, M. | | Deposit date: | 2013-05-12 | | Release date: | 2013-10-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of a complex of human chymase with its benzimidazole derived inhibitor
J.SYNCHROTRON RADIAT., 20, 2013
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2ZFS
 | | Exploring trypsin S3 pocket | | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | | Authors: | Brandt, T, Baum, B, Heine, A, Klebe, G. | | Deposit date: | 2008-01-10 | | Release date: | 2009-01-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties
J.Mol.Biol., 405, 2011
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4FM6
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2ZGA
 | | HIV-1 protease in complex with a dimethylallyl decorated pyrrolidine based inhibitor (hexagonal space group) | | Descriptor: | (3S,4S),-3,4-Bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine, Protease | | Authors: | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | | Deposit date: | 2008-01-21 | | Release date: | 2009-02-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Two Solutions for the Same Problem: Multiple Binding Modes of Pyrrolidine-Based HIV-1 Protease Inhibitors
J.Mol.Biol., 410, 2011
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4HVU
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7WKG
 | | The 0.84 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with erucic acid | | Descriptor: | (Z)-docos-13-enoic acid, Fatty acid-binding protein, heart, ... | | Authors: | Sugiyama, S, Kakinouchi, K, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | Deposit date: | 2022-01-09 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.84 Å) | | Cite: | The 0.84 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with erucic acid
To Be Published
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4FM8
 | | Crystal Structure of BACE with Compound 12a | | Descriptor: | (5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-8-[3-(propan-2-yloxy)benzyl]-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide, 1,2-ETHANEDIOL, Beta-secretase 1, ... | | Authors: | Vajdos, F.F, Varghese, A.H. | | Deposit date: | 2012-06-15 | | Release date: | 2012-10-03 | | Last modified: | 2013-06-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Spirocyclic sulfamides as beta-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors.
J.Med.Chem., 55, 2012
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2ZIL
 | | Crystal Structure of Human Lysozyme from Urine | | Descriptor: | Lysozyme C, SODIUM ION | | Authors: | Tamada, T, Kuroki, R, Koshiba, T. | | Deposit date: | 2008-02-18 | | Release date: | 2009-01-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Preparation and characterization of methyonyl-lysine attached human lysozyme expressed in Escherichia coli and its effective conversion to the authentic-like protein
To be Published
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4I3D
 | | Crystal structure of fluorescent protein UnaG N57A mutant | | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Bilirubin-inducible fluorescent protein UnaG | | Authors: | Kumagai, A, Ando, R, Miyatake, H, Miyawaki, A. | | Deposit date: | 2012-11-26 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.298 Å) | | Cite: | A bilirubin-inducible fluorescent protein from eel muscle
Cell(Cambridge,Mass.), 153, 2013
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4APR
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7WPG
 | | The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with heptanoic acid | | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | | Authors: | Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | Deposit date: | 2022-01-23 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with heptanoic acid
To Be Published
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1IP2
 | | G48A HUMAN LYSOZYME | | Descriptor: | LYSOZYME C, SODIUM ION | | Authors: | Takano, K, Yamagata, Y, Yutani, K. | | Deposit date: | 2001-04-20 | | Release date: | 2001-11-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of amino acid residues in left-handed helical conformation for the conformational stability of a protein.
Proteins, 45, 2001
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3QFU
 | | Crystal structure of Yeast Hsp70 (Bip/kar2) complexed with ADP | | Descriptor: | 78 kDa glucose-regulated protein homolog, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Yan, M, Li, J.Z, Sha, B.D. | | Deposit date: | 2011-01-22 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural analysis of the Sil1-Bip complex reveals the mechanism for Sil1 to function as a nucleotide-exchange factor.
Biochem.J., 438, 2011
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3QGJ
 | | 1.3A Structure of alpha-Lytic Protease Bound to Ac-AlaAlaPro-Alanal | | Descriptor: | 1,2-ETHANEDIOL, Ac-AlaAlaPro-Alanal peptide, Alpha-lytic protease, ... | | Authors: | Everill, P, Meinke, G, Bohm, A, Bachovchin, W. | | Deposit date: | 2011-01-24 | | Release date: | 2012-02-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Substrate Binding Defines Ser195 Position in the Catalytic Triad of Serine Proteases, Not His57 protonation
To be Published
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2ZJI
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2ZT1
 | | Carbonmonoxy Sperm Whale Myoglobin at 100 K: Laser on [810 min] | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. | | Deposit date: | 2008-09-18 | | Release date: | 2009-02-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
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2ZKW
 | | Crystal structure of human Cu-Zn superoxide dismutase mutant G85R in space group P21 | | Descriptor: | COPPER (I) ION, Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Yoshikawa, S, Kukimoto-Niino, M, Ito, K, Chen, L, Fu, Z.Q, Chrzas, J, Wang, B.C, Shirouzu, M, Urushitani, M, Takahashi, R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2008-03-31 | | Release date: | 2009-03-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of human Cu-Zn superoxide dismutase mutant G85R in space group P21
To be Published
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4HZZ
 | | Crystal structure of influenza neuraminidase N3-H274Y complexed with oseltamivir | | 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-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Li, Q, Qi, J, Vavricka, C.J, Gao, G.F. | | Deposit date: | 2012-11-16 | | Release date: | 2013-11-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Functional and structural analysis of influenza virus neuraminidase N3 offers further insight into the mechanisms of oseltamivir resistance.
J.Virol., 87, 2013
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4I11
 | | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. | | Descriptor: | Beta-secretase 1, N-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-phenylalanine, ZINC ION | | Authors: | Bowers, B, Xu, Y, Yuan, S, Probst, G.D, Hom, R.K, Chan, W, Konradi, A.W, Sham, H.L, Zhu, Y.L, Beroza, P, Pan, H, Brecht, E, Yao, N, Lougheed, J, Artis, D.R, Tam, D, Bova, M. | | Deposit date: | 2012-11-19 | | Release date: | 2013-03-06 | | Last modified: | 2013-04-24 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
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1IX0
 | | I59A-3SS human lysozyme | | Descriptor: | SODIUM ION, lysozyme | | Authors: | Takano, K, Yamagata, Y, Yutani, K. | | Deposit date: | 2002-06-06 | | Release date: | 2003-07-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Buried water molecules contribute to the conformational stability of a protein
PROTEIN ENG., 16, 2003
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4FRI
 | | Crystal structure of BACE1 in complex with biarylspiro aminooxazoline 6 | | Descriptor: | (4R)-4-[3-(2-fluoropyridin-3-yl)phenyl]-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | Authors: | Whittington, D.A, Long, A.M. | | Deposit date: | 2012-06-26 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease.
J.Med.Chem., 55, 2012
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4I9S
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3R1H
 | | Crystal structure of the Class I ligase ribozyme-substrate preligation complex, C47U mutant, Ca2+ bound | | Descriptor: | 5'-R(*UP*CP*CP*AP*GP*UP*A)-3', CALCIUM ION, Class I ligase ribozyme, ... | | Authors: | Shechner, D.M, Bartel, D.P. | | Deposit date: | 2011-03-10 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | The structural basis of RNA-catalyzed RNA polymerization.
Nat.Struct.Mol.Biol., 18, 2011
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4FIV
 | | FIV PROTEASE COMPLEXED WITH AN INHIBITOR LP-130 | | Descriptor: | 4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE, FELINE IMMUNODEFICIENCY VIRUS PROTEASE | | Authors: | Kervinen, J, Lubkowski, J, Zdanov, A, Wlodawer, A, Gustchina, A. | | Deposit date: | 1998-07-15 | | Release date: | 1999-01-13 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Toward a universal inhibitor of retroviral proteases: comparative analysis of the interactions of LP-130 complexed with proteases from HIV-1, FIV, and EIAV.
Protein Sci., 7, 1998
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4FXV
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