1WOU
 
 | | Crystal Structure of human Trp14 | | Descriptor: | thioredoxin -related protein, 14 kDa | | Authors: | Woo, J.R, Kim, S.J, Jeong, W, Cho, Y.H, Lee, S.C, Chung, Y.J, Rhee, S.G, Ryu, S.E. | | Deposit date: | 2004-08-25 | | Release date: | 2004-09-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of cellular redox regulation by human TRP14
J.Biol.Chem., 279, 2004
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4FZ5
 | | Crystal Structure of Human TIRAP TIR-domain | | Descriptor: | Toll/interleukin-1 receptor domain-containing adapter protein | | Authors: | Woo, J.R, Kim, S, Shoelson, S.E, Park, S. | | Deposit date: | 2012-07-06 | | Release date: | 2013-05-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | X-ray Crystallographic Structure of TIR-Domain from the Human TIR-Domain Containing Adaptor Protein/MyD88 Adaptor-Like Protein (TIRAP/MAL)
Bull.Korean Chem.Soc., 33, 2013
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7CJ2
 | | Crystal structure of the Fab antibody complexed with human YKL-40 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase 3-like 1 (Cartilage glycoprotein-39), isoform CRA_a, ... | | Authors: | Choi, S, Na, J.H, Lee, S.J, Woo, J.R, Kim, D.Y, Hong, J.T, Lee, W.K. | | Deposit date: | 2020-07-09 | | Release date: | 2021-07-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the Fab antibody complexed with human YKL-40
To Be Published
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3M7M
 | | Crystal structure of monomeric hsp33 | | Descriptor: | 33 kDa chaperonin | | Authors: | Chi, S.W, Jeong, D.G, Woo, J.R, Park, B.C, Ryu, S.E, Kim, S.J. | | Deposit date: | 2010-03-16 | | Release date: | 2011-01-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of monomeric hsp33
To be Published
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1IY7
 | | Crystal Structure of CPA and sulfamide-based inhibitor complex | | Descriptor: | Carboxypeptidase A, PHENYLALANINE-N-SULFONAMIDE, ZINC ION | | Authors: | Kim, S.J, Woo, J.R, Park, J.D, Kim, D.H, Ryu, S.E. | | Deposit date: | 2002-07-24 | | Release date: | 2003-01-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Sulfamide-Based Inhibitors for Carboxypeptidase A. Novel Type Transition State Analogue Inhibitors for Zinc Proteases
J.Med.Chem., 45, 2002
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1NM3
 | | Crystal structure of Heamophilus influenza hybrid-Prx5 | | Descriptor: | Protein HI0572, SULFATE ION | | Authors: | Kim, S.J, Woo, J.R, Hwang, Y.S, Jeong, D.G, Shin, D.H, Kim, K.H, Ryu, S.E. | | Deposit date: | 2003-01-08 | | Release date: | 2003-03-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Tetrameric Structure of Haemophilus influenza Hybrid Prx5 Reveals Interactions between Electron Donor and Acceptor Proteins.
J.Biol.Chem., 278, 2003
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2CMO
 | | The structure of a mixed glur2 ligand-binding core dimer in complex with (s)-glutamate and the antagonist (s)-ns1209 | | Descriptor: | 2-({[(3E)-5-{4-[(DIMETHYLAMINO)(DIHYDROXY)-LAMBDA~4~-SULFANYL]PHENYL}-8-METHYL-2-OXO-6,7,8,9-TETRAHYDRO-1H-PYRROLO[3,2-H]ISOQUINOLIN-3(2H)-YLIDENE]AMINO}OXY)-4-HYDROXYBUTANOIC ACID, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ... | | Authors: | Kasper, C, Pickering, D.S, Mirza, O, Olsen, L, Kristensen, A.S, Greenwood, J.R, Liljefors, T, Schousboe, A, Watjen, F, Gajhede, M, Sigurskjold, B.W, Kastrup, J.S. | | Deposit date: | 2006-05-11 | | Release date: | 2006-06-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The Structure of a Mixed Glur2 Ligand-Binding Core Dimer in Complex with (S)-Glutamate and the Antagonist (S)-Ns1209.
J.Mol.Biol., 357, 2006
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7C13
 | | beta1 domain-swapped structure of monothiol cGrx1(C16S) | | Descriptor: | Glutaredoxin, Peptide methionine sulfoxide reductase MsrA | | Authors: | Lee, K, Hwang, K.Y. | | Deposit date: | 2020-05-02 | | Release date: | 2020-11-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.799 Å) | | Cite: | Monothiol and dithiol glutaredoxin-1 from clostridium oremlandii: identification of domain-swapped structures by NMR, X-ray crystallography and HDX mass spectrometry.
Iucrj, 7, 2020
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7C12
 | | beta1 domain-swapped structure of monothiol cGrx1(C16S) | | Descriptor: | Glutaredoxin | | Authors: | Lee, K, Hwang, K.Y. | | Deposit date: | 2020-05-02 | | Release date: | 2020-11-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.803 Å) | | Cite: | Monothiol and dithiol glutaredoxin-1 from clostridium oremlandii: identification of domain-swapped structures by NMR, X-ray crystallography and HDX mass spectrometry.
Iucrj, 7, 2020
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7C10
 | | Dithiol cGrx1 | | Descriptor: | Glutaredoxin | | Authors: | Lee, K, Hwang, K.Y. | | Deposit date: | 2020-05-02 | | Release date: | 2020-11-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.806 Å) | | Cite: | Monothiol and dithiol glutaredoxin-1 from clostridium oremlandii: identification of domain-swapped structures by NMR, X-ray crystallography and HDX mass spectrometry.
Iucrj, 7, 2020
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7YC5
 | | Cryo-EM structure of SARS-CoV-2 spike in complex with K202.B bispecific antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bispecific anitybody (scFv and light chain of the antibody), Heavy chain from K202.B antibody, ... | | Authors: | Yoo, Y, Cho, H.S. | | Deposit date: | 2022-06-30 | | Release date: | 2023-07-05 | | Last modified: | 2025-03-05 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Novel bispecific human antibody platform specifically targeting a fully open spike conformation potently neutralizes multiple SARS-CoV-2 variants
Antiviral Res., 212, 2023
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7Y6K
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3QYB
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3QYE
 | | Crystal Structure of Human TBC1D1 RabGAP domain | | Descriptor: | TBC1 domain family member 1 | | Authors: | Park, S.Y, Shoelson, S.E. | | Deposit date: | 2011-03-03 | | Release date: | 2011-03-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of human TBC1D1 and TBC1D4 (AS160) RabGTPase-activating protein (RabGAP) domains reveal critical elements for GLUT4 translocation.
J.Biol.Chem., 286, 2011
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9MJM
 | | SOS1 IN COMPLEX WITH AN INHIBITOR | | Descriptor: | 1,2-ETHANEDIOL, 2-({(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}amino)-3-(2-oxaspiro[3.3]heptan-6-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one, IMIDAZOLE, ... | | Authors: | Bell, J.A. | | Deposit date: | 2024-12-16 | | Release date: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Exploiting Solvent Exposed Salt-Bridge Interactions for the Discovery of Potent Inhibitors of SOS1 Using Free-Energy Perturbation Simulations.
Acs Med.Chem.Lett., 16, 2025
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1EAT
 | | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 5. DESIGN, SYNTHESIS, AND X-RAY CRYSTALLOGRAPHY OF A SERIES OF ORALLY ACTIVE 5-AMINO-PYRIMIDIN-6-ONE-CONTAINING TRIFLUOROMETHYLKETONES | | Descriptor: | 2-[5-METHANESULFONYLAMINO-2-(4-AMINOPHENYL)-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | | Authors: | Ceccarelli, C. | | Deposit date: | 1994-11-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 5. Design, synthesis, and X-ray crystallography of a series of orally active 5-aminopyrimidin-6-one-containing trifluoromethyl ketones.
J.Med.Chem., 38, 1995
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1EAS
 | | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 3. DESIGN, SYNTHESIS, X-RAY CRYSTALLOGRAPHIC ANALYSIS, AND STRUCTURE-ACTIVITY RELATIONSHIPS FOR A SERIES OF ORALLY ACTIVE 3-AMINO-6-PHENYLPYRIDIN-2-ONE TRIFLUOROMETHYL KETONES | | Descriptor: | 3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | | Authors: | Ceccarelli, C. | | Deposit date: | 1994-11-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 3. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of orally active 3-amino-6-phenylpyridin-2-one trifluoromethyl ketones.
J.Med.Chem., 37, 1994
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1EAU
 | | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 6. DESIGN OF A POTENT, INTRATRACHEALLY ACTIVE, PYRIDONE-BASED TRIFLUOROMETHYL KETONE | | Descriptor: | 2-[5-AMINO-6-OXO-2-(2-THIENYL)-1,6-DIHYDROPYRIMIDIN-1-YL)-N-[3,3-DIFLUORO -1-ISOPROPYL-2-OXO-3-(N-(2-MORPHOLINO ETHYL)CARBAMOYL]PROPYL]ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | | Authors: | Ceccarelli, C. | | Deposit date: | 1994-11-22 | | Release date: | 1995-02-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 6. Design of a potent, intratracheally active, pyridone-based trifluoromethyl ketone.
J.Med.Chem., 38, 1995
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9MJL
 | | SOS1 IN COMPLEX WITH AN INHIBITOR | | Descriptor: | 1,2-ETHANEDIOL, 6-({(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}amino)-8-(oxan-4-yl)-1,3,4,8-tetrahydropyrido[3,4-c][1,6]naphthyridin-9(2H)-one, Son of sevenless homolog 1 | | Authors: | Bell, J.A. | | Deposit date: | 2024-12-16 | | Release date: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Exploiting Solvent Exposed Salt-Bridge Interactions for the Discovery of Potent Inhibitors of SOS1 Using Free-Energy Perturbation Simulations.
Acs Med.Chem.Lett., 16, 2025
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8SXS
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8DPA
 | | Crystal structure of the homodimeric AvrM14-B Nudix hydrolase effector from Melampsora lini | | Descriptor: | AvrM14-B, SULFATE ION | | Authors: | McCombe, C.L, Outram, M.A, Ericsson, D.J, Williams, S.J. | | Deposit date: | 2022-07-15 | | Release date: | 2023-01-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | A rust-fungus Nudix hydrolase effector decaps mRNA in vitro and interferes with plant immune pathways.
New Phytol., 239, 2023
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8DP9
 | | Crystal structure of the monomeric AvrM14-B Nudix hydrolase effector from Melampsora lini | | Descriptor: | AvrM14-B, SULFATE ION | | Authors: | McCombe, C.L, Outram, M.A, Ericsson, D.J, Williams, S.J. | | Deposit date: | 2022-07-15 | | Release date: | 2023-01-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | A rust-fungus Nudix hydrolase effector decaps mRNA in vitro and interferes with plant immune pathways.
New Phytol., 239, 2023
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8DP8
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4KFQ
 | | Crystal structure of the NMDA receptor GluN1 ligand binding domain in complex with 1-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one | | Descriptor: | 1-sulfanyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one, GLYCEROL, Glutamate receptor ionotropic, ... | | Authors: | Steffensen, T.B, Tabrizi, F.M, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2013-04-27 | | Release date: | 2013-10-09 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure and pharmacological characterization of a novel N-methyl-D-aspartate (NMDA) receptor antagonist at the GluN1 glycine binding site.
J.Biol.Chem., 288, 2013
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3PD8
 | | X-ray structure of the ligand-binding core of GluA2 in complex with (S)-7-HPCA at 2.5 A resolution | | Descriptor: | (7S)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-7-carboxylic acid, ACETIC ACID, CACODYLATE ION, ... | | Authors: | Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2010-10-22 | | Release date: | 2010-12-29 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.476 Å) | | Cite: | Biostructural and pharmacological studies of bicyclic analogues of the 3-isoxazolol glutamate receptor agonist ibotenic acid.
J. Med. Chem., 53, 2010
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