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7OJH
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ABCG2 topotecan turnover-1 state
分子名称: (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, ...
著者Yu, Q, Ni, D, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P.
登録日2021-05-15
公開日2021-07-21
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism.
Nat Commun, 12, 2021
7OJI
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ABCG2 topotecan turnover-2 state
分子名称: (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, ...
著者Yu, Q, Ni, D, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P.
登録日2021-05-16
公開日2021-07-21
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism.
Nat Commun, 12, 2021
7Z85
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CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11-B5 nanobody complex
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, Nanobody H11-B5, ...
著者Weckener, M, Naismith, J.H.
登録日2022-03-16
公開日2022-07-13
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z9Q
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CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11-A10 nanobody complex
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, Nanobody H11-A10, ...
著者Weckener, M, Naismith, J.H.
登録日2022-03-21
公開日2022-07-13
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7OAO
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BU of 7oao by Molmil
Nanobody C5 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C5 nanobody, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-19
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7Z7X
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CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11-H6 nanobody complex
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, Nanobody H11-H6, ...
著者Weckener, M, Naismith, J.H.
登録日2022-03-16
公開日2022-07-13
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7OAQ
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Nanobody H3 AND C1 bound to RBD with Kent mutation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAP
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Nanobody H3 AND C1 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C1 nanobody, CHLORIDE ION, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-19
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
4LRH
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BU of 4lrh by Molmil
Crystal structure of human folate receptor alpha in complex with folic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, Folate receptor alpha
著者Ke, J, Chen, C, Zhou, X.E, Yi, W, Brunzelle, J.S, Li, J, Young, E.-L, Xu, H.E, Melcher, K.
登録日2013-07-19
公開日2013-07-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for molecular recognition of folic acid by folate receptors.
Nature, 500, 2013
7OAN
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Nanobody C5 bound to Spike
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, Spike glycoprotein, ...
著者Naismith, J.H, Weckener, M.
登録日2021-04-19
公開日2021-08-11
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7Z9R
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CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11-H4 Q98R H100E nanobody complex in 2Up1Down conformation
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, Nanobody H11-H4 Q98R H100E, ...
著者Weckener, M, Naismith, J.H.
登録日2022-03-21
公開日2022-07-13
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7OAY
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BU of 7oay by Molmil
Nanobody F2 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, F2 nanobody, Spike protein S1
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAU
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BU of 7oau by Molmil
Nanobody C5 bound to Kent variant RBD (N501Y)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C5, GLYCEROL, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7Z86
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BU of 7z86 by Molmil
CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11-H4 Q98R H100E nanobody complex in 1Up2Down conformation
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, Nanobody H11-H4 Q98R H100E, ...
著者Weckener, M, Naismith, J.H.
登録日2022-03-16
公開日2022-07-13
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Z6V
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BU of 7z6v by Molmil
CRYO-EM STRUCTURE OF SARS-COV-2 SPIKE : H11 nanobody complex
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, Nanobody H11, ...
著者Weckener, M, Naismith, J.H, Vogirala, V.K.
登録日2022-03-14
公開日2022-07-13
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Correlation between the binding affinity and the conformational entropy of nanobody SARS-CoV-2 spike protein complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7OJ8
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BU of 7oj8 by Molmil
ABCG2 E1S turnover-2 state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL, ...
著者Ni, D, Yu, Q, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P.
登録日2021-05-14
公開日2021-07-21
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism.
Nat Commun, 12, 2021
6Y8K
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BU of 6y8k by Molmil
Crystal structure of CD137 in complex with the cyclic peptide BCY10916
分子名称: 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Upadhyaya, P, Kublin, J, Dods, R, Kristensson, J, Lahdenranta, J, Kleyman, M, Repash, E, Ma, J, Mudd, G, Van Rietschoten, K, Haines, E, Harrison, H, Beswick, P, Chen, L, McDonnell, K, Battula, S, Hurov, K, Keen, N.
登録日2020-03-05
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.011 Å)
主引用文献Anticancer immunity induced by a synthetic tumor-targeted CD137 agonist.
J Immunother Cancer, 9, 2021
4QGY
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BU of 4qgy by Molmil
Camelid (llama) nanobody n25 (VHH) against type 6 secretion system TssM protein
分子名称: nanobody n25, VH domain
著者Nguyen, V.S, Desmyter, A, Le, T.T.H, Durand, E, Kellenberger, C, Douzi, B, Spinelli, S, Cascales, E, Cambillau, C, Roussel, A.
登録日2014-05-26
公開日2015-04-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Inhibition of Type VI Secretion by an Anti-TssM Llama Nanobody.
Plos One, 10, 2015
4QLR
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BU of 4qlr by Molmil
Llama nanobody n02 raised against EAEC T6SS TssM
分子名称: Llama nanobody n02 VH domain
著者Nguyen, V.S, Desmyter, A, Le, T.T.H, Durand, E, Kellenberger, C, Douzi, B, Spinelli, S, Cascales, E, Cambillau, C, Roussel, A.
登録日2014-06-13
公開日2015-04-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Inhibition of Type VI Secretion by an Anti-TssM Llama Nanobody.
Plos One, 10, 2015
6QB2
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BU of 6qb2 by Molmil
Crystal structure of the cystatin-based engineered protein scaffold SQT-1C
分子名称: Monomer of SQT-1C
著者Levy, C.W.
登録日2018-12-20
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Studies of the oligomerisation mechanism of a cystatin-based engineered protein scaffold.
Sci Rep, 9, 2019
5D4B
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BU of 5d4b by Molmil
Structural Basis for a New Templated Activity by Terminal Deoxynucleotidyl Transferase: Implications for V(D)J Recombination
分子名称: DNA (5'-D(*AP*AP*AP*AP*AP*C)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*GP*G)-3'), MAGNESIUM ION, ...
著者Loc'h, J, Rosario, S, Delarue, M.
登録日2015-08-07
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structural Basis for a New Templated Activity by Terminal Deoxynucleotidyl Transferase: Implications for V(D)J Recombination.
Structure, 24, 2016
7OLX
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MerTK kinase domain with type 1.5 inhibitor containing a tri-methyl pyrazole group
分子名称: CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{N}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
登録日2021-05-20
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
7OUN
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BU of 7oun by Molmil
Structure of human PD-L1 in complex with macrocyclic inhibitor
分子名称: Programmed cell death 1 ligand 1, macrocyclic peptide
著者Zyla, E, Dubin, G.
登録日2021-06-12
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Characterization of a Macrocyclic Peptide Modulator of the PD-1/PD-L1 Immune Checkpoint Axis.
Molecules, 26, 2021
7OLV
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BU of 7olv by Molmil
MerTK kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group
分子名称: 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
登録日2021-05-20
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
7OLS
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BU of 7ols by Molmil
MerTK kinase domain with type 1.5 inhibitor containing a di-methyl pyrazole group
分子名称: 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
登録日2021-05-20
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021

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