6D5J
 
 | | Ras:SOS:Ras in complex with a small molecule activator | | Descriptor: | 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | | Authors: | Phan, J, Hodges, T, Fesik, S.W. | | Deposit date: | 2018-04-19 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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6D59
 | | Ras:SOS:Ras in complex with a small molecule activator | | Descriptor: | 6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | | Authors: | Phan, J, Hodges, T, Fesik, S.W. | | Deposit date: | 2018-04-19 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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6D5M
 | | Ras:SOS:Ras in complex with a small molecule activator | | Descriptor: | 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Phan, J, Hodges, T, Fesik, S.W. | | Deposit date: | 2018-04-19 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.081 Å) | | Cite: | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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6D5L
 | | Ras:SOS:Ras in complex with a small molecule activator | | Descriptor: | 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | | Authors: | Phan, J, Hodges, T, Fesik, S.W. | | Deposit date: | 2018-04-19 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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7URI
 | | allo-tRNAUTu1A in the A site of the E. coli ribosome | | Descriptor: | Allo-tRNAUTu1A | | Authors: | Zhang, J, Prabhakar, A, Krahn, N, Vargas-Rodriguez, O, Krupkin, M, Fu, Z, Acosta-Reyes, F.J, Ge, X, Choi, J, Crnkovic, A, Ehrenberg, M, Viani Puglisi, E, Soll, D, Puglisi, J. | | Deposit date: | 2022-04-22 | | Release date: | 2022-08-10 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Uncovering translation roadblocks during the development of a synthetic tRNA.
Nucleic Acids Res., 50, 2022
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7UR5
 | | allo-tRNAUTu1 in the A, P, and E sites of the E. coli ribosome | | Descriptor: | allo-tRNAUTu1 | | Authors: | Zhang, J, Krahn, N, Prabhakar, A, Vargas-Rodriguez, O, Krupkin, M, Fu, Z, Acosta-Reyes, F.J, Ge, X, Choi, J, Crnkovic, A, Ehrenberg, M, Viani Puglisi, E, Soll, D, Puglisi, J. | | Deposit date: | 2022-04-21 | | Release date: | 2022-08-10 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Uncovering translation roadblocks during the development of a synthetic tRNA.
Nucleic Acids Res., 50, 2022
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7URM
 | | allo-tRNAUTu1A in the P site of the E. coli ribosome | | Descriptor: | allo-tRNAUTU1A | | Authors: | Zhang, J, Prabhakar, A, Krahn, N, Vargas-Rodriguez, O, Krupkin, M, Fu, Z, Acosta-Reyes, F.J, Ge, X, Choi, J, Crnkovic, A, Ehrenberg, M, Viani Puglisi, E, Soll, D, Puglisi, J. | | Deposit date: | 2022-04-22 | | Release date: | 2022-08-10 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Uncovering translation roadblocks during the development of a synthetic tRNA.
Nucleic Acids Res., 50, 2022
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6D5H
 | | Ras:SOS:Ras in complex with a small molecule activator | | Descriptor: | 6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Phan, J, Hodges, T, Fesik, S.W. | | Deposit date: | 2018-04-19 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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8FHN
 | | Cryo-EM structure of human NCC (class 2) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Polythiazide, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera | | Authors: | Zhang, J, Fan, M, Feng, L. | | Deposit date: | 2022-12-14 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
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8FHR
 | | Cryo-EM structure of human NCC (class 3-3) | | Descriptor: | Polythiazide, SODIUM ION, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera | | Authors: | Zhang, J, Fan, M, Feng, L. | | Deposit date: | 2022-12-14 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
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8FHO
 | | Cryo-EM structure of human NCC (class 1) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Polythiazide, SODIUM ION, ... | | Authors: | Zhang, J, Fan, M, Feng, L. | | Deposit date: | 2022-12-14 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
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8FHP
 | | Cryo-EM structure of human NCC (class 3-1) | | Descriptor: | Polythiazide, SODIUM ION, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera | | Authors: | Zhang, J, Fan, M, Feng, L. | | Deposit date: | 2022-12-14 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
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3BYZ
 | | 2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11-Hydroxysteroid Dehydrogenase Type 1 Inhibitors | | Descriptor: | (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhang, J, Jordan, S.R, Li, V. | | Deposit date: | 2008-01-16 | | Release date: | 2008-02-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | 2-amino-1,3-thiazol-4(5H)-ones as potent and selective 11beta-hydroxysteroid dehydrogenase type 1 inhibitors: enzyme-ligand co-crystal structure and demonstration of pharmacodynamic effects in C57Bl/6 mice.
J.Med.Chem., 51, 2008
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8FHT
 | | Cryo-EM structure of human NCC | | Descriptor: | CHLORIDE ION, SODIUM ION, Solute carrier family 12 member 3 | | Authors: | Zhang, J, Fan, M, Feng, L. | | Deposit date: | 2022-12-15 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
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8FHQ
 | | Cryo-EM structure of human NCC (class 3-2) | | Descriptor: | Polythiazide, SODIUM ION, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera | | Authors: | Zhang, J, Fan, M, Feng, L. | | Deposit date: | 2022-12-14 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
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6TJY
 | | Crystal structure of haemagglutinin from (A/seal/Germany/1/2014) seal H10N7 influenza virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | | Deposit date: | 2019-11-27 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
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6D9X
 | | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | | Descriptor: | 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, SODIUM ION, WD repeat-containing protein 5 | | Authors: | Phan, J, Fesik, S.W. | | Deposit date: | 2018-04-30 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
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6TVB
 | | Crystal structure of the haemagglutinin from a transmissible H10N7 seal influenza virus isolated in Netherland in complex with human receptor analogue 6'-SLN | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | | Deposit date: | 2020-01-09 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
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6GON
 | | Crystal Structure Of Sea Bream Transthyretin in complex with Perfluorooctanoic acid (PFOA). Crystallized in PEG | | Descriptor: | Transthyretin, pentadecafluorooctanoic acid | | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | | Deposit date: | 2018-06-01 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
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6TY1
 | | Crystal structure of the haemagglutinin mutant (Gln226Leu, Gly228Ser) from an H10N7 seal influenza virus isolated in Germany in complex with human receptor analogue 6'-SLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2, ... | | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | | Deposit date: | 2020-01-15 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
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6DAR
 | | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | | Descriptor: | DIMETHYL SULFOXIDE, N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide, SULFATE ION, ... | | Authors: | Phan, J, Fesik, S.W. | | Deposit date: | 2018-05-01 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
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6GNP
 | | Crystal Structure Of Sea Bream Transthyretin in complex with 3,5,6-trichloro-2-pyridinol (TC2P) | | Descriptor: | 3,5,6-trichloro-2-pyridinol, Transthyretin | | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | | Deposit date: | 2018-05-31 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.019 Å) | | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
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6TVA
 | | Crystal structure of the haemagglutinin from a transmissible H10N7 seal influenza virus isolated in Netherland in complex with avian receptor analogue, 3'-SLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Haemagglutinin HA1, Haemagglutinin HA2, ... | | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | | Deposit date: | 2020-01-09 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
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6TVR
 | | Crystal structure of the haemagglutinin mutant (Gln226Leu) from an H10N7 seal influenza virus isolated in Germany | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | | Deposit date: | 2020-01-10 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
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6TVS
 | | Crystal structure of the haemagglutinin mutant (Gln226Leu) from an H10N7 seal influenza virus isolated in Germany in complex with avian receptor analogue 3'-SLN | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | | Deposit date: | 2020-01-10 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
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