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6D5J
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BU of 6d5j by Molmil
Ras:SOS:Ras in complex with a small molecule activator
分子名称: 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ...
著者Phan, J, Hodges, T, Fesik, S.W.
登録日2018-04-19
公開日2018-09-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6D59
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BU of 6d59 by Molmil
Ras:SOS:Ras in complex with a small molecule activator
分子名称: 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, ...
著者Phan, J, Hodges, T, Fesik, S.W.
登録日2018-04-19
公開日2018-09-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6D5M
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BU of 6d5m by Molmil
Ras:SOS:Ras in complex with a small molecule activator
分子名称: 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole, GTPase HRas, MAGNESIUM ION, ...
著者Phan, J, Hodges, T, Fesik, S.W.
登録日2018-04-19
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.081 Å)
主引用文献Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
6D5L
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BU of 6d5l by Molmil
Ras:SOS:Ras in complex with a small molecule activator
分子名称: 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ...
著者Phan, J, Hodges, T, Fesik, S.W.
登録日2018-04-19
公開日2018-09-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
7URI
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BU of 7uri by Molmil
allo-tRNAUTu1A in the A site of the E. coli ribosome
分子名称: Allo-tRNAUTu1A
著者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.
登録日2022-04-22
公開日2022-08-10
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Uncovering translation roadblocks during the development of a synthetic tRNA.
Nucleic Acids Res., 50, 2022
7UR5
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BU of 7ur5 by Molmil
allo-tRNAUTu1 in the A, P, and E sites of the E. coli ribosome
分子名称: allo-tRNAUTu1
著者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.
登録日2022-04-21
公開日2022-08-10
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Uncovering translation roadblocks during the development of a synthetic tRNA.
Nucleic Acids Res., 50, 2022
7URM
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BU of 7urm by Molmil
allo-tRNAUTu1A in the P site of the E. coli ribosome
分子名称: allo-tRNAUTU1A
著者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.
登録日2022-04-22
公開日2022-08-10
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Uncovering translation roadblocks during the development of a synthetic tRNA.
Nucleic Acids Res., 50, 2022
6D5H
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BU of 6d5h by Molmil
Ras:SOS:Ras in complex with a small molecule activator
分子名称: 6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, CHLORIDE ION, FORMIC ACID, ...
著者Phan, J, Hodges, T, Fesik, S.W.
登録日2018-04-19
公開日2018-09-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
8FHN
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BU of 8fhn by Molmil
Cryo-EM structure of human NCC (class 2)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Polythiazide, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera
著者Zhang, J, Fan, M, Feng, L.
登録日2022-12-14
公開日2023-02-15
最終更新日2023-03-08
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
8FHR
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BU of 8fhr by Molmil
Cryo-EM structure of human NCC (class 3-3)
分子名称: Polythiazide, SODIUM ION, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera
著者Zhang, J, Fan, M, Feng, L.
登録日2022-12-14
公開日2023-02-15
最終更新日2023-03-08
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
8FHO
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BU of 8fho by Molmil
Cryo-EM structure of human NCC (class 1)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Polythiazide, SODIUM ION, ...
著者Zhang, J, Fan, M, Feng, L.
登録日2022-12-14
公開日2023-02-15
最終更新日2023-03-08
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
8FHP
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BU of 8fhp by Molmil
Cryo-EM structure of human NCC (class 3-1)
分子名称: Polythiazide, SODIUM ION, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera
著者Zhang, J, Fan, M, Feng, L.
登録日2022-12-14
公開日2023-02-15
最終更新日2023-03-08
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
3BYZ
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BU of 3byz by Molmil
2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11-Hydroxysteroid Dehydrogenase Type 1 Inhibitors
分子名称: (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
著者Zhang, J, Jordan, S.R, Li, V.
登録日2008-01-16
公開日2008-02-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献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
8FHT
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BU of 8fht by Molmil
Cryo-EM structure of human NCC
分子名称: CHLORIDE ION, SODIUM ION, Solute carrier family 12 member 3
著者Zhang, J, Fan, M, Feng, L.
登録日2022-12-15
公開日2023-02-15
最終更新日2023-03-08
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
8FHQ
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BU of 8fhq by Molmil
Cryo-EM structure of human NCC (class 3-2)
分子名称: Polythiazide, SODIUM ION, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera
著者Zhang, J, Fan, M, Feng, L.
登録日2022-12-14
公開日2023-02-15
最終更新日2023-03-08
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
6TJY
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BU of 6tjy by Molmil
Crystal structure of haemagglutinin from (A/seal/Germany/1/2014) seal H10N7 influenza virus
分子名称: 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, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2019-11-27
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6D9X
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BU of 6d9x by Molmil
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
分子名称: 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, SODIUM ION, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-04-30
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献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
6TVB
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BU of 6tvb by Molmil
Crystal structure of the haemagglutinin from a transmissible H10N7 seal influenza virus isolated in Netherland in complex with human receptor analogue 6'-SLN
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-09
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6GON
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BU of 6gon by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with Perfluorooctanoic acid (PFOA). Crystallized in PEG
分子名称: Transthyretin, pentadecafluorooctanoic acid
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-06-01
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
6TY1
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BU of 6ty1 by Molmil
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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-15
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6DAR
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BU of 6dar by Molmil
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
分子名称: DIMETHYL SULFOXIDE, N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide, SULFATE ION, ...
著者Phan, J, Fesik, S.W.
登録日2018-05-01
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献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
6GNP
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BU of 6gnp by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with 3,5,6-trichloro-2-pyridinol (TC2P)
分子名称: 3,5,6-trichloro-2-pyridinol, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-05-31
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.019 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
6TVA
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BU of 6tva by Molmil
Crystal structure of the haemagglutinin from a transmissible H10N7 seal influenza virus isolated in Netherland in complex with avian receptor analogue, 3'-SLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Haemagglutinin HA1, Haemagglutinin HA2, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-09
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6TVR
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BU of 6tvr by Molmil
Crystal structure of the haemagglutinin mutant (Gln226Leu) from an H10N7 seal influenza virus isolated in Germany
分子名称: 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, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-10
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6TVS
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BU of 6tvs by Molmil
Crystal structure of the haemagglutinin mutant (Gln226Leu) from an H10N7 seal influenza virus isolated in Germany in complex with avian receptor analogue 3'-SLN
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-10
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020

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