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7JYS
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BU of 7jys by Molmil
hALK in complex with 3-(3-chlorophenyl)-5-methyl-1H-pyrazole
分子名称: 1,2-ETHANEDIOL, 3-(3-chlorophenyl)-5-methyl-1H-pyrazole, ALK tyrosine kinase receptor
著者McGrath, A.P, Zou, H, Lane, W, Saikatendu, K.
登録日2020-08-31
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
7JYT
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BU of 7jyt by Molmil
hALK in complex with 3-(3-methyl-1H-pyrazol-5-yl)pyridine
分子名称: 3-(3-methyl-1H-pyrazol-5-yl)pyridine, ALK tyrosine kinase receptor, GLYCEROL
著者McGrath, A.P, Zou, H, Lane, W, Saikatendu, K.
登録日2020-08-31
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
7JY4
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BU of 7jy4 by Molmil
hALK in complex with ((1S,2S)-1-(2,4-difluorophenyl)-2-(2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy)cyclopropyl)methanamine
分子名称: 1-{(1S,2S)-1-(2,4-difluorophenyl)-2-[2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl}methanamine, ALK tyrosine kinase receptor
著者McGrath, A.P, Zou, H, Lane, W, Saikatendu, K.
登録日2020-08-28
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
7JU8
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BU of 7ju8 by Molmil
X-ray structure of MMP-13 in Complex with 4-(1,2,3-thiadiazol-4-yl)pyridine
分子名称: 4-(1,2,3-thiadiazol-4-yl)pyridine, CALCIUM ION, Collagenase 3, ...
著者Farrow, N.A.
登録日2020-08-19
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Indole Inhibitors of MMP-13 for Arthritic Disorders
Acs Omega, 6, 2021
7JYR
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BU of 7jyr by Molmil
hALK in complex with 1-[(1R,2R)-1-(2,4-difluorophenyl)-2-[2-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl]methanamine
分子名称: 1,2-ETHANEDIOL, 4-{[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1H-pyrazol-3-yl)benzonitrile, ALK tyrosine kinase receptor
著者McGrath, A.P, Zou, H, Lane, W, Saikatendu, K.
登録日2020-08-31
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
3E65
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BU of 3e65 by Molmil
Murine INOS dimer with HEME, pterin and inhibitor AR-C120011
分子名称: 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Rosenfeld, R.J, Garcin, E.D, Getzoff, E.D.
登録日2008-08-14
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3DH4
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BU of 3dh4 by Molmil
Crystal Structure of Sodium/Sugar symporter with bound Galactose from vibrio parahaemolyticus
分子名称: ERBIUM (III) ION, SODIUM ION, Sodium/glucose cotransporter, ...
著者Abramson, J, Faham, S, Cascio, D.
登録日2008-06-16
公開日2008-08-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The crystal structure of a sodium galactose transporter reveals mechanistic insights into Na+/sugar symport.
Science, 321, 2008
5DOO
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BU of 5doo by Molmil
The structure of PKMT2 from Rickettsia typhi
分子名称: CALCIUM ION, protein lysine methyltransferase 2
著者Noinaj, N, Abeykoon, A, He, Y, Yang, D.C, Buchanan, S.K.
登録日2015-09-11
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.133 Å)
主引用文献Structural Insights into Substrate Recognition and Catalysis in Outer Membrane Protein B (OmpB) by Protein-lysine Methyltransferases from Rickettsia.
J.Biol.Chem., 291, 2016
5DPD
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BU of 5dpd by Molmil
The structure of PKMT1 from Rickettsia prowazekii in complex with AdoMet
分子名称: S-ADENOSYLMETHIONINE, protein lysine methyltransferase 1
著者Noinaj, N, Abeykoon, A, He, Y, Yang, D.C, Buchanan, S.K.
登録日2015-09-12
公開日2016-08-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Insights into Substrate Recognition and Catalysis in Outer Membrane Protein B (OmpB) by Protein-lysine Methyltransferases from Rickettsia.
J.Biol.Chem., 291, 2016
7TRH
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BU of 7trh by Molmil
Human antibody K03.28 in complex with the influenza hemagglutinin head domain of A/California/07/2009(H1N1)(X-181)
分子名称: Hemagglutinin, K03.28 Fab heavy chain, K03.28 Fab lambda light chain
著者McCarthy, K.R.
登録日2022-01-28
公開日2023-08-02
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A new class of antibodies that overcomes a steric barrier to cross-group neutralization of influenza viruses.
Plos Biol., 21, 2023
5DO0
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BU of 5do0 by Molmil
The structure of PKMT1 from Rickettsia prowazekii
分子名称: protein lysine methyltransferase 1
著者Noinaj, N, Abeykoon, A, He, Y, Yang, D.C, Buchanan, S.K.
登録日2015-09-10
公開日2016-08-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Insights into Substrate Recognition and Catalysis in Outer Membrane Protein B (OmpB) by Protein-lysine Methyltransferases from Rickettsia.
J.Biol.Chem., 291, 2016
7TRI
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BU of 7tri by Molmil
Human antibody S8V1-172 in complex with the influenza hemagglutinin head domain of A/Sydney/05/1997(H3N2)
分子名称: Hemagglutinin, S8V1-172 Fab heavy chain, S8V1-172 Fab kappa light chain, ...
著者McCarthy, K.R.
登録日2022-01-28
公開日2023-08-02
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献A new class of antibodies that overcomes a steric barrier to cross-group neutralization of influenza viruses.
Plos Biol., 21, 2023
7WKI
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BU of 7wki by Molmil
Structure of the ultra-affinity complex between CFH and a nanobody
分子名称: Anti-CFH nanobody (VHH), Complement factor H
著者Caaveiro, J.M.M, Yokoo, T, Tsumoto, K.
登録日2022-01-10
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Antibody recognition of complement factor H reveals a flexible loop involved in atypical hemolytic uremic syndrome pathogenesis.
J.Biol.Chem., 298, 2022
7SQO
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BU of 7sqo by Molmil
Structure of the orexin-2 receptor(OX2R) bound to TAK-925, Gi and scFv16
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McGrath, A.P, Kang, Y, Flinspach, M.
登録日2021-11-05
公開日2022-05-25
最終更新日2022-07-06
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Molecular mechanism of the wake-promoting agent TAK-925.
Nat Commun, 13, 2022
7SR8
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BU of 7sr8 by Molmil
Molecular mechanism of the the wake-promoting agent TAK-925
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, Hypocretin receptor type 2, ...
著者Yin, J, Chapman, K, Lian, P, De Brabander, J.K, Rosenbaum, D.M.
登録日2021-11-08
公開日2022-06-08
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular mechanism of the wake-promoting agent TAK-925.
Nat Commun, 13, 2022
5DNK
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BU of 5dnk by Molmil
The structure of PKMT1 from Rickettsia prowazekii in complex with AdoHcy
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, protein lysine methyltransferase 1
著者Noinaj, N, Abeykoon, A, He, Y, Yang, D.C, Buchanan, S.K.
登録日2015-09-10
公開日2016-08-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into Substrate Recognition and Catalysis in Outer Membrane Protein B (OmpB) by Protein-lysine Methyltransferases from Rickettsia.
J.Biol.Chem., 291, 2016
5DPL
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BU of 5dpl by Molmil
The structure of PKMT2 from Rickettsia typhi in complex with AdoHcy
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, protein lysine methyltransferase 2
著者Noinaj, N, Abeykoon, A, He, Y, Yang, D.C, Buchanan, S.K.
登録日2015-09-12
公開日2016-08-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural Insights into Substrate Recognition and Catalysis in Outer Membrane Protein B (OmpB) by Protein-lysine Methyltransferases from Rickettsia.
J.Biol.Chem., 291, 2016
6XPQ
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BU of 6xpq by Molmil
Human antibody D1 H1-17/H3-14 in complex with the influenza hemagglutinin head domain of A/Texas/50/2012(H3N2)
分子名称: Hemagglutinin, antibody D1 H1-17/H3-14 light chain, antibody D1 H1-17/H3-14 heavy chain, ...
著者McCarthy, K.R, Harrison, S.C.
登録日2020-07-08
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface.
Mbio, 12, 2021
6XPX
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BU of 6xpx by Molmil
Human antibody S1V2-51 in complex with the influenza hemagglutinin head domain of A/Aichi/2/1968 (X-31)(H3N2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BICINE, GLYCEROL, ...
著者McCarthy, K.R, Harrison, S.C.
登録日2020-07-09
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface.
Mbio, 12, 2021
6XPY
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BU of 6xpy by Molmil
Human antibody S1V2-58 in complex with the influenza hemagglutinin head domain of A/Texas/50/2012(H3N2)
分子名称: Fab heavy chain, Fab light chain, Hemagglutinin, ...
著者McCarthy, K.R, Harrison, S.C.
登録日2020-07-09
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.603 Å)
主引用文献A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface.
Mbio, 12, 2021
6XQ4
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BU of 6xq4 by Molmil
Human antibody S8V2-47 in complex with the influenza hemagglutinin head domain of A/Beijing/262/1995(H1N1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, antibody S8V2-47 heavy chain, ...
著者McCarthy, K.R, Harrison, S.C.
登録日2020-07-09
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.347 Å)
主引用文献A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface.
Mbio, 12, 2021
6XPR
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BU of 6xpr by Molmil
Human antibody D2 H1-1/H3-1 H3 in complex with the influenza hemagglutinin head domain of A/Texas/50/2012(H3N2)
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, Hemagglutinin, ...
著者McCarthy, K.R, Harrison, S.C, Lee, J.
登録日2020-07-08
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.092 Å)
主引用文献A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface.
Mbio, 12, 2021
6XPO
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BU of 6xpo by Molmil
Influenza hemagglutinin A/Bangkok/01/1979(H3N2)
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, Hemagglutinin, ...
著者McCarthy, K.R, Harrison, S.C.
登録日2020-07-08
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface.
Mbio, 12, 2021
6XPZ
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BU of 6xpz by Molmil
Human antibody S1V2-83 in complex with the influenza hemagglutinin head domain of A/Moscow/10/1999(H3N2)
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, Hemagglutinin, ...
著者McCarthy, K.R, Harrison, S.C.
登録日2020-07-09
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface.
Mbio, 12, 2021
6XQ0
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BU of 6xq0 by Molmil
Human antibody S8V2-18 in complex with the influenza hemagglutinin head domain of A/California/7/2009(NYMC-X181)(H1N1)
分子名称: GLYCEROL, Hemagglutinin, antibody S8V2-18 heavy chain, ...
著者McCarthy, K.R, Harrison, S.C.
登録日2020-07-09
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface.
Mbio, 12, 2021

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