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7DET
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BU of 7det by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
著者Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y.
登録日2020-11-05
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7DEO
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BU of 7deo by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ...
著者Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y.
登録日2020-11-04
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
2HWO
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BU of 2hwo by Molmil
Crystal structure of Src kinase domain in complex with covalent inhibitor
分子名称: GLYCEROL, N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE, Proto-oncogene tyrosine-protein kinase Src
著者Rauh, D, Blair, J.A, Shokat, K.M.
登録日2006-08-01
公開日2007-02-27
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-guided development of affinity probes for tyrosine kinases using chemical genetics.
Nat.Chem.Biol., 3, 2007
2HWP
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BU of 2hwp by Molmil
Crystal structure of Src kinase domain in complex with covalent inhibitor PD168393
分子名称: N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE, Proto-oncogene tyrosine-protein kinase Src
著者Rauh, D, Blair, J.A, Shokat, K.M.
登録日2006-08-01
公開日2007-02-27
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structure-guided development of affinity probes for tyrosine kinases using chemical genetics.
Nat.Chem.Biol., 3, 2007
2J5F
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BU of 2j5f by Molmil
Crystal structure of EGFR kinase domain in complex with an irreversible inhibitor 34-jab
分子名称: EPIDERMAL GROWTH FACTOR RECEPTOR, N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE
著者Yun, C.-H, Eck, M.J.
登録日2006-09-14
公開日2007-02-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure-Guided Development of Affinity Probes for Tyrosine Kinases Using Chemical Genetics.
Nat.Chem.Biol., 3, 2007
2J5E
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BU of 2j5e by Molmil
Crystal structure of EGFR kinase domain in complex with an irreversible inhibitor 13-jab
分子名称: CHLORIDE ION, EPIDERMAL GROWTH FACTOR RECEPTOR
著者Yun, C.-H, Eck, M.J.
登録日2006-09-14
公開日2007-02-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-Guided Development of Affinity Probes for Tyrosine Kinases Using Chemical Genetics.
Nat.Chem.Biol., 3, 2007
8EWG
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BU of 8ewg by Molmil
Cryo-EM structure of a riboendonclease
分子名称: CRISPR-associated endonuclease Cas9, RNA (56-MER)
著者Li, Z, Wang, F.
登録日2022-10-23
公開日2023-08-30
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural Basis for the Ribonuclease Activity of a Thermostable CRISPR-Cas13a from Thermoclostridium caenicola.
J.Mol.Biol., 435, 2023
7UM5
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BU of 7um5 by Molmil
CryoEM structure of Go-coupled 5-HT5AR in complex with 5-CT
分子名称: 3-(2-azanylethyl)-1H-indole-5-carboxamide, 5-hydroxytryptamine receptor 5A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhang, S, Fay, J.F, Roth, B.L.
登録日2022-04-06
公開日2022-07-20
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Inactive and active state structures template selective tools for the human 5-HT 5A receptor.
Nat.Struct.Mol.Biol., 29, 2022
7UM4
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BU of 7um4 by Molmil
Crystal structure of inactive 5-HT5AR in complex with AS2674723
分子名称: 5-hydroxytryptamine receptor 5A, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
著者Zhang, S, Roth, B.L.
登録日2022-04-06
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Inactive and active state structures template selective tools for the human 5-HT 5A receptor.
Nat.Struct.Mol.Biol., 29, 2022
7UM6
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BU of 7um6 by Molmil
CryoEM structure of Go-coupled 5-HT5AR in complex with Lisuride
分子名称: 5-hydroxytryptamine receptor 5A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zhang, S, Fay, J.F, Roth, B.L.
登録日2022-04-06
公開日2022-07-20
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Inactive and active state structures template selective tools for the human 5-HT 5A receptor.
Nat.Struct.Mol.Biol., 29, 2022
7UM7
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BU of 7um7 by Molmil
CryoEM structure of Go-coupled 5-HT5AR in complex with Methylergometrine
分子名称: (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 5A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhang, S, Fay, J.F, Roth, B.L.
登録日2022-04-06
公開日2022-07-20
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献Inactive and active state structures template selective tools for the human 5-HT 5A receptor.
Nat.Struct.Mol.Biol., 29, 2022
7SHT
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BU of 7sht by Molmil
Structure of a partially disrupted IgE high affinity receptor complex bound to an omalizumab variant
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, High affinity immunoglobulin epsilon receptor subunit alpha, ...
著者Pennington, L.F, Jardetzky, T.S.
登録日2021-10-11
公開日2021-12-15
実験手法ELECTRON MICROSCOPY (7.29 Å)
主引用文献Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
7SI0
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BU of 7si0 by Molmil
IgE-Fc in complex with 813
分子名称: 813 Variable fragment Heavy chain, 813 Variable fragment Light chain, IgE Fc, ...
著者Pennington, L.F, Jardetzky, T.J, Kleinboelting, S.
登録日2021-10-12
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
7SHY
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BU of 7shy by Molmil
IgE-Fc in complex with omalizumab scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, IgE Fc, ...
著者Pennington, L.F, Jardetzky, T.J, Kleinboelting, S.
登録日2021-10-11
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
7SHZ
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BU of 7shz by Molmil
IgE-Fc in complex with HAE
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Pennington, L.F, Jardetzky, T.J, Kleinboelting, S.
登録日2021-10-11
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
7SHU
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BU of 7shu by Molmil
IgE-Fc in complex with omalizumab variant C02
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant epsilon, ...
著者Pennington, L.F, Jardetzky, T.J, Kleinboelting, S.
登録日2021-10-11
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
1WMA
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BU of 1wma by Molmil
Crystal structure of human CBR1 in complex with Hydroxy-PP
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)PHENOL, ...
著者Rauh, D, Bateman, R, Shokat, K.M.
登録日2004-07-06
公開日2005-04-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献An unbiased cell morphology-based screen for new, biologically active small molecules
Plos Biol., 3, 2005
7WUQ
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BU of 7wuq by Molmil
Tethered peptide activation mechanism of adhesion GPCRs ADGRG2 and ADGRG4
分子名称: Adhesion G-protein coupled receptor G2,mCherry, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者He, Q.T, Guo, S.C, Xiao, P, Sun, J.P, Yu, X, Gou, L, Kong, L.L, Zhang, L.
登録日2022-02-09
公開日2022-04-27
最終更新日2022-05-11
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Tethered peptide activation mechanism of the adhesion GPCRs ADGRG2 and ADGRG4.
Nature, 604, 2022
2EXX
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BU of 2exx by Molmil
Crystal structure of HSCARG from Homo sapiens in complex with NADP
分子名称: GLYCEROL, HSCARG protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Dai, X, Chen, Q, Yao, D, Liang, Y, Dong, Y, Gu, X, Zheng, X, Luo, M.
登録日2005-11-09
公開日2006-11-21
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Restructuring of the dinucleotide-binding fold in an NADP(H) sensor protein.
Proc.Natl.Acad.Sci.USA, 104, 2007
2QTH
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BU of 2qth by Molmil
Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus in complex with GDP
分子名称: ACETATE ION, CADMIUM ION, GTP-binding protein, ...
著者Wu, H, Sun, L, Brouns, S.J, Fu, S, Rao, Z, Van der Oost, J.
登録日2007-08-02
公開日2008-08-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus.
To be Published
2QTF
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BU of 2qtf by Molmil
Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus
分子名称: ACETATE ION, CADMIUM ION, GTP-binding protein, ...
著者Wu, H, Sun, L, Brouns, S.J, Fu, S, Rao, Z, Van der Oost, J.
登録日2007-08-02
公開日2008-08-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus.
To be Published
5UGC
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BU of 5ugc by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
1RKB
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BU of 1rkb by Molmil
The structure of adrenal gland protein AD-004
分子名称: LITHIUM ION, Protein AD-004, SULFATE ION
著者Ren, H, Liang, Y, Bennett, M, Su, X.D.
登録日2003-11-21
公開日2005-01-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of human adenylate kinase 6: An adenylate kinase localized to the cell nucleus
Proc.Natl.Acad.Sci.Usa, 102, 2005
5UG8
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BU of 5ug8 by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
分子名称: Epidermal growth factor receptor, GLYCEROL, N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide, ...
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-07
公開日2017-03-22
最終更新日2017-04-26
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
5UG9
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BU of 5ug9 by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-07
公開日2017-03-22
最終更新日2018-10-10
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017

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