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5YRN
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BU of 5yrn by Molmil
Structure of RIP2 CARD domain
分子名称: Receptor-interacting serine/threonine-protein kinase 2
著者Wu, B, Gong, Q.
登録日2017-11-09
公開日2018-11-14
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural basis of RIP2 activation and signaling.
Nat Commun, 9, 2018
3R22
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BU of 3r22 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
分子名称: N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
著者Zhang, L, Fan, J, Chong, J.-H, Cesana, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
登録日2011-03-11
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
2HCM
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BU of 2hcm by Molmil
Crystal structure of mouse putative dual specificity phosphatase complexed with zinc tungstate, New York Structural Genomics Consortium
分子名称: Dual specificity protein phosphatase, GLYCEROL, SODIUM ION, ...
著者Patskovsky, Y, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-06-17
公開日2006-08-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
3R21
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BU of 3r21 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
分子名称: MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
著者Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
登録日2011-03-11
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
2HHL
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BU of 2hhl by Molmil
Crystal structure of the human small CTD phosphatase 3 isoform 1
分子名称: 12-TUNGSTOPHOSPHATE, CTD small phosphatase-like protein
著者Malashkevich, V.N, Toro, R, Ramagopal, U, Sauder, J.M, Schwinn, K.D, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-06-28
公開日2006-08-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
2I1Y
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BU of 2i1y by Molmil
Crystal structure of the phosphatase domain of human PTP IA-2
分子名称: GLYCEROL, Receptor-type tyrosine-protein phosphatase
著者Faber-Barata, J, Patskovsky, Y, Alvarado, J, Smith, D, Koss, J, Wasserman, S.R, Ozyurt, S, Atwell, S, Powell, A, Kearins, M.C, Maletic, M, Rooney, I, Bain, K.T, Freeman, M, Russell, J.C, Thompson, D.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-08-15
公開日2006-08-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structural genomics of protein phosphatases
J.STRUCT.FUNCT.GENOM., 8, 2007
2HY3
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BU of 2hy3 by Molmil
Crystal structure of the human tyrosine receptor phosphate gamma in complex with vanadate
分子名称: Receptor-type tyrosine-protein phosphatase gamma, VANADATE ION
著者Jin, X, Min, T, Bera, A, Mu, H, Sauder, J.M, Freeman, J.C, Reyes, C, Smith, D, Wasserman, S.R, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-08-04
公開日2006-09-05
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
8SAI
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BU of 8sai by Molmil
Cryo-EM structure of GPR34-Gi complex
分子名称: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Yong, X.H, Zhao, C, Yan, W, Shao, Z.H.
登録日2023-04-01
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
6G5G
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Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 2
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P.
登録日2018-03-29
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
6G5F
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Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 1
分子名称: Botulinum neurotoxin type B, GLYCEROL, MALONATE ION, ...
著者Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P.
登録日2018-03-29
公開日2019-01-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
7C8U
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BU of 7c8u by Molmil
The crystal structure of COVID-19 main protease in complex with GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
著者Luan, X, Shang, W, Wang, Y, Yin, W, Jiang, Y, Feng, S, Wang, Y, Liu, M, Zhou, R, Zhang, Z, Wang, F, Cheng, W, Gao, M, Wang, H, Wu, W, Tian, R, Tian, Z, Jin, Y, Jiang, H.W, Zhang, L, Xu, H.E, Zhang, S.
登録日2020-06-03
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The crystal structure of COVID-19 main protease in complex with GC376
To Be Published
6G5K
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BU of 6g5k by Molmil
Crystal structure of the binding domain of Botulinum Neurotoxin type B in complex with human synaptotagmin 1
分子名称: Botulinum neurotoxin type B, Synaptotagmin-1
著者Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P.
登録日2018-03-29
公開日2019-01-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
7YVN
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BU of 7yvn by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH281 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH281 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVP
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Omicron BA.4/5 SARS-CoV-2 S in complex with TH272/281 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH272 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVG
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Omicron BA.4/5 SARS-CoV-2 S in complex with TH132 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH132 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVK
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BU of 7yvk by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH272 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH272 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVO
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Omicron BA.4/5 SARS-CoV-2 S in complex with TH027/132 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH132 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVE
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BU of 7yve by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH027 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH027 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVH
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Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH132 Fab
分子名称: Spike glycoprotein, TH132 Fab heavy chain, TH132 Fab light chain
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVM
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Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH272 Fab
分子名称: Spike glycoprotein, TH281 Fab heavy chain, TH281 Fab light chain
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVF
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BU of 7yvf by Molmil
Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH027 Fab
分子名称: Spike glycoprotein, TH027 Fab heavy chain, TH027 Fab light chain
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVJ
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BU of 7yvj by Molmil
Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH236 Fab
分子名称: Spike glycoprotein, TH236 Fab heavy chain, TH236 Fab light chain
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVL
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BU of 7yvl by Molmil
Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH272 Fab
分子名称: Spike glycoprotein, TH272 Fab heavy chain, TH272 Fab light chain
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVI
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Omicron BA.4/5 SARS-CoV-2 S in complex with TH236 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH236 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
6NZM
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Brutons tyrosine kinase in complex with compound 50.
分子名称: 1,2-ETHANEDIOL, N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea, Tyrosine-protein kinase BTK
著者Marcotte, D.J.
登録日2019-02-14
公開日2019-06-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Optimization of novel reversible Bruton's tyrosine kinase inhibitors identified using Tethering-fragment-based screens.
Bioorg.Med.Chem., 27, 2019

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