8HM5
 
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8CYZ
 | | Crystal structure of SARS-CoV-2 Mpro with compound C4 | | Descriptor: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide | | Authors: | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | Deposit date: | 2022-05-24 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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8CYU
 | | Crystal structure of SARS-CoV-2 Mpro with compound C5 | | Descriptor: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide | | Authors: | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | Deposit date: | 2022-05-24 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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8CZ4
 | | Crystal structure of SARS-CoV-2 Mpro with compound C3 | | Descriptor: | 3C-like proteinase, N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide | | Authors: | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | Deposit date: | 2022-05-24 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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8CZ7
 | | Crystal structure of SARS-CoV-2 Mpro with compound C2 | | Descriptor: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide | | Authors: | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | Deposit date: | 2022-05-24 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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1BGY
 | | CYTOCHROME BC1 COMPLEX FROM BOVINE | | Descriptor: | CYTOCHROME BC1 COMPLEX, FE2/S2 (INORGANIC) CLUSTER, HEME C, ... | | Authors: | Iwata, S, Lee, J.W, Okada, K, Lee, J.K, Iwata, M, Ramaswamy, S, Jap, B.K. | | Deposit date: | 1998-06-02 | | Release date: | 1999-01-06 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Complete structure of the 11-subunit bovine mitochondrial cytochrome bc1 complex.
Science, 281, 1998
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1BE3
 | | CYTOCHROME BC1 COMPLEX FROM BOVINE | | Descriptor: | CYTOCHROME BC1 COMPLEX, FE2/S2 (INORGANIC) CLUSTER, HEME C, ... | | Authors: | Iwata, S, Lee, J.W, Okada, K, Lee, J.K, Iwata, M, Ramaswamy, S, Jap, B.K. | | Deposit date: | 1998-05-19 | | Release date: | 1999-01-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Complete structure of the 11-subunit bovine mitochondrial cytochrome bc1 complex.
Science, 281, 1998
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1IX1
 | | Crystal Structure of P.aeruginosa Peptide deformylase Complexed with Antibiotic Actinonin | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, ACTINONIN, ZINC ION, ... | | Authors: | Kim, H.-W, Yoon, H.-J, Lee, J.Y, Han, B.W, Yang, J.K, Lee, B.I, Ahn, H.J, Lee, H.H, Suh, S.W. | | Deposit date: | 2002-06-07 | | Release date: | 2003-09-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of peptide deformylase from Staphylococcus aureus in complex with actinonin, a naturally occurring antibacterial agent
Proteins, 57, 2004
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4Y7I
 | | Crystal Structure of MTMR8 | | Descriptor: | Myotubularin-related protein 8, PHOSPHATE ION | | Authors: | Yoo, K, Lee, J, Son, J, Shin, W, Im, D, Heo, Y.S. | | Deposit date: | 2015-02-15 | | Release date: | 2015-07-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.802 Å) | | Cite: | Structure of the catalytic phosphatase domain of MTMR8: implications for dimerization, membrane association and reversible oxidation.
Acta Crystallogr.,Sect.D, 71, 2015
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1MNL
 | | HIGH-RESOLUTION SOLUTION STRUCTURE OF A SWEET PROTEIN SINGLE-CHAIN MONELLIN (SCM) DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND DYNAMICAL SIMULATED ANNEALING CALCULATIONS, 21 STRUCTURES | | Descriptor: | MONELLIN | | Authors: | Lee, S.-Y, Lee, J.-H, Chang, H.-J, Jo, J.-M, Jung, J.-W, Lee, W. | | Deposit date: | 1998-08-06 | | Release date: | 1999-06-08 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a sweet protein single-chain monellin determined by nuclear magnetic resonance and dynamical simulated annealing calculations.
Biochemistry, 38, 1999
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7R22
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1EW4
 | | CRYSTAL STRUCTURE OF ESCHERICHIA COLI CYAY PROTEIN REVEALS A NOVEL FOLD FOR THE FRATAXIN FAMILY | | Descriptor: | CYAY PROTEIN | | Authors: | Suh, S.W, Cho, S, Lee, M.G, Yang, J.K, Lee, J.Y, Song, H.K. | | Deposit date: | 2000-04-22 | | Release date: | 2000-08-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of Escherichia coli CyaY protein reveals a previously unidentified fold for the evolutionarily conserved frataxin family.
Proc.Natl.Acad.Sci.USA, 97, 2000
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8HG9
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8HU2
 | | Rattus Syntenin-1 PDZ domain with inhibitor | | Descriptor: | (2~{S})-2-(9~{H}-fluoren-9-ylmethoxycarbonylamino)-3-(4-oxidanylidene-5~{H}-pyrimidin-2-yl)propanoic acid, Syntenin-1 | | Authors: | Heo, Y, Lee, J, Yun, J.H, Lee, W. | | Deposit date: | 2022-12-22 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of STNPDZ with inhibitor at 1.60 Angstroms resolution.
To Be Published
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1UDT
 | | Crystal structure of Human Phosphodiesterase 5 complexed with Sildenafil(Viagra) | | Descriptor: | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-1-METHYL-3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, MAGNESIUM ION, ZINC ION, ... | | Authors: | Sung, B.-J, Lee, J.I, Heo, Y.-S, Kim, J.H, Moon, J, Yoon, J.M, Hyun, Y.-L, Kim, E, Eum, S.J, Lee, T.G, Cho, J.M, Park, S.-Y, Lee, J.-O, Jeon, Y.H, Hwang, K.Y, Ro, S. | | Deposit date: | 2003-05-06 | | Release date: | 2004-05-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the catalytic domain of human phosphodiesterase 5 with bound drug molecules
Nature, 425, 2003
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1UDU
 | | Crystal structure of Human Phosphodiesterase 5 complexed with tadalafil(Cialis) | | Descriptor: | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-1,4-DIONE, MAGNESIUM ION, ZINC ION, ... | | Authors: | Sung, B.-J, Lee, J.I, Heo, Y.-S, Kim, J.H, Moon, J, Yoon, J.M, Hyun, Y.-L, Kim, E, Eum, S.J, Lee, T.G, Cho, J.M, Park, S.-Y, Lee, J.-O, Jeon, Y.H, Hwang, K.Y, Ro, S. | | Deposit date: | 2003-05-06 | | Release date: | 2004-05-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Structure of the catalytic domain of human phosphodiesterase 5 with bound drug molecules
Nature, 425, 2003
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1UHO
 | | Crystal structure of Human Phosphodiesterase 5 complexed with Vardenafil(Levitra) | | Descriptor: | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE, MAGNESIUM ION, ZINC ION, ... | | Authors: | Sung, B.-J, Lee, J.I, Heo, Y.-S, Kim, J.H, Moon, J, Yoon, J.M, Hyun, Y.-L, Kim, E, Eum, S.J, Lee, T.G, Cho, J.M, Park, S.-Y, Lee, J.-O, Jeon, Y.H, Hwang, K.Y, Ro, S. | | Deposit date: | 2003-07-09 | | Release date: | 2004-07-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the catalytic domain of human phosphodiesterase 5 with bound drug molecules
Nature, 425, 2003
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4XTT
 | | Structural Studies of Potassium Transport Protein KtrA Regulator of Conductance of K+ (RCK) C domain in Complex with Cyclic Diadenosine Monophosphate (c-di-AMP) | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Putative potassium transport protein | | Authors: | Kim, H, Youn, S.J, Kim, S.O, Ko, J, Lee, J.O, Choi, B.S. | | Deposit date: | 2015-01-24 | | Release date: | 2015-05-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.708 Å) | | Cite: | Structural Studies of Potassium Transport Protein KtrA Regulator of Conductance of K+ (RCK) C Domain in Complex with Cyclic Diadenosine Monophosphate (c-di-AMP)
J.Biol.Chem., 290, 2015
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8J1Q
 | | CryoEM structure of SARS CoV-2 RBD and Aptamer complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AM032-0, AM047-0, ... | | Authors: | Rahman, M.S, Jang, S.K, Lee, J.O. | | Deposit date: | 2023-04-13 | | Release date: | 2023-06-21 | | Last modified: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure-Guided Development of Bivalent Aptamers Blocking SARS-CoV-2 Infection.
Molecules, 28, 2023
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8J26
 | | CryoEM structure of SARS CoV-2 RBD and Aptamer complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AM032-4, AM047-6, ... | | Authors: | Rahman, M.S, Jang, S.K, Lee, J.O. | | Deposit date: | 2023-04-14 | | Release date: | 2023-06-21 | | Last modified: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure-Guided Development of Bivalent Aptamers Blocking SARS-CoV-2 Infection.
Molecules, 28, 2023
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7C04
 | | Crystal structure of human Trap1 with DN203492 | | Descriptor: | 4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial | | Authors: | Kim, D, Kim, D, Kim, S.Y, Lee, J.H, Kang, B.H, Kang, S, Lee, C. | | Deposit date: | 2020-04-30 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Development of pyrazolo[3,4-d]pyrimidine-6-amine-based TRAP1 inhibitors that demonstrate in vivo anticancer activity in mouse xenograft models.
Bioorg.Chem., 101, 2020
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7C05
 | | Crystal structure of human Trap1 with DN203495 | | Descriptor: | 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial | | Authors: | Kim, D, Kim, D, Kim, S.Y, Lee, J.H, Kang, B.H, Kang, S, Lee, C. | | Deposit date: | 2020-04-30 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Development of pyrazolo[3,4-d]pyrimidine-6-amine-based TRAP1 inhibitors that demonstrate in vivo anticancer activity in mouse xenograft models.
Bioorg.Chem., 101, 2020
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1MKD
 | | crystal structure of PDE4D catalytic domain and zardaverine complex | | Descriptor: | 6-(4-DIFLUOROMETHOXY-3-METHOXY-PHENYL)-2H-PYRIDAZIN-3-ONE, MAGNESIUM ION, Phosphodiesterase 4D, ... | | Authors: | Lee, M.E, Markowitz, J, Lee, J.-O, Lee, H. | | Deposit date: | 2002-08-29 | | Release date: | 2003-03-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of phosphodiesterase 4D and inhibitor complex
FEBS LETT., 530, 2002
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6J4N
 | | Structure of papua new guinea MBL-1(PNGM-1) native | | Descriptor: | Metallo-beta-lactamases PNGM-1, ZINC ION | | Authors: | Hong, M.K, Park, K.S, Jeon, J.H, Lee, J.H, Park, Y.S, Lee, S.H, Kang, L.W. | | Deposit date: | 2019-01-10 | | Release date: | 2019-02-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The novel metallo-beta-lactamase PNGM-1 from a deep-sea sediment metagenome: crystallization and X-ray crystallographic analysis.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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2WH9
 | | Solution structure of GxTX-1E | | Descriptor: | GUANGXITOXIN-1EGXTX-1E | | Authors: | Lee, S.K, Jung, H.H, Lee, J.Y, Lee, C.W, Kim, J.I. | | Deposit date: | 2009-05-02 | | Release date: | 2010-05-26 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Gxtx-1E, a High Affinity Tarantula Toxin Interacting with Voltage Sensors in Kv2.1 Potassium Channels.
Biochemistry, 49, 2010
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