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9OAQ
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BU of 9oaq by Molmil
Crystal structure of antibody Fab G001-59 from IAVI G001 human trial in complex with a germline-targeting gp120 engineered outer domain eOD-GT8-mingly-N276
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, G001-59 Fab heavy chain, G001-59 Fab light chain, ...
著者Lin, X, Wilson, I.A.
登録日2025-04-21
公開日2025-06-25
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structural insights into VRC01-class bnAb precursors with diverse light chains elicited in the IAVI G001 human vaccine trial.
Biorxiv, 2025
9OAP
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BU of 9oap by Molmil
Crystal structure of antibody Fab G001-58 from IAVI G001 human trial in complex with a germline-targeting gp120 engineered outer domain eOD-GT8-mingly
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, G001-58 Fab heavy chain, G001-58 Fab light chain, ...
著者Lin, X, Wilson, I.A.
登録日2025-04-21
公開日2025-06-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into VRC01-class bnAb precursors with diverse light chains elicited in the IAVI G001 human vaccine trial.
Biorxiv, 2025
9OAR
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BU of 9oar by Molmil
Crystal structure of antibody Fab G001-179 from IAVI G001 human trial in complex with a germline-targeting gp120 engineered outer domain eOD-GT8-mingly
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, G001-179 Fab heavy chain, G001-179 Fab light chain, ...
著者Lin, X, Wilson, I.A.
登録日2025-04-21
公開日2025-06-25
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural insights into VRC01-class bnAb precursors with diverse light chains elicited in the IAVI G001 human vaccine trial.
Biorxiv, 2025
9OAO
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BU of 9oao by Molmil
Crystal structure of antibody Fab G001-0087 from IAVI G001 human trial in complex with a germline-targeting gp120 engineered outer domain eOD-GT8-mingly
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, G001-0087 Fab heavy chain, G001-0087 Fab light chain, ...
著者Lin, X, Wilson, I.A.
登録日2025-04-21
公開日2025-06-25
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structural insights into VRC01-class bnAb precursors with diverse light chains elicited in the IAVI G001 human vaccine trial.
Biorxiv, 2025
9OAS
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BU of 9oas by Molmil
Crystal structure of antibody Fab G001-14 from IAVI G001 human trial in complex with a germline-targeting gp120 engineered outer domain eOD-GT8-mingly-N276
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, G001-14 Fab heavy chain, G001-14 Fab light chain, ...
著者Lin, X, Wilson, I.A.
登録日2025-04-21
公開日2025-06-25
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural insights into VRC01-class bnAb precursors with diverse light chains elicited in the IAVI G001 human vaccine trial.
Biorxiv, 2025
6NVJ
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BU of 6nvj by Molmil
FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-fluorophenyl)acrylamide
分子名称: Fibroblast growth factor receptor 4, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide, SULFATE ION
著者Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
登録日2019-02-05
公開日2019-07-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
6NVH
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BU of 6nvh by Molmil
FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-methylphenyl)acrylamide
分子名称: Fibroblast growth factor receptor 4, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide, SULFATE ION
著者Lin, X, Smaill, J.B, Squire, C.J.
登録日2019-02-05
公開日2019-07-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
6NVG
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BU of 6nvg by Molmil
FGFR4 complex with N-(3,5-dichloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)phenyl)acrylamide
分子名称: Fibroblast growth factor receptor 4, N-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide, SULFATE ION
著者Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
登録日2019-02-05
公開日2019-07-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
6NVK
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BU of 6nvk by Molmil
FGFR4 complex with BLU-554, N-((3S,4S)-3-((6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl)amino)tetrahydro-2H-pyran-4-yl)acrylamide
分子名称: Fibroblast growth factor receptor 4, N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide, SULFATE ION
著者Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
登録日2019-02-05
公開日2019-07-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
6NVL
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BU of 6nvl by Molmil
FGFR1 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-methylphenyl)acrylamide
分子名称: Fibroblast growth factor receptor 1, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide, SULFATE ION
著者Lin, X, Smaill, J.B, Squire, C.J.
登録日2019-02-05
公開日2019-07-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
6NVI
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BU of 6nvi by Molmil
FGFR4 complex with N-(3-chloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-5-fluorophenyl)acrylamide
分子名称: Fibroblast growth factor receptor 4, N-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide, SULFATE ION
著者Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
登録日2019-02-05
公開日2019-07-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.117 Å)
主引用文献Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
8HS3
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BU of 8hs3 by Molmil
Gi bound orphan GPR20 in ligand-free state
分子名称: Ggama, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Lin, X, Jiang, S, Xu, F.
登録日2022-12-16
公開日2023-03-08
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献The activation mechanism and antibody binding mode for orphan GPR20.
Cell Discov, 9, 2023
8HSC
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BU of 8hsc by Molmil
Gi bound Orphan GPR20 complex with Fab046 in ligand-free state
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Lin, X, Jiang, S, Xu, F.
登録日2022-12-19
公開日2023-03-08
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献The activation mechanism and antibody binding mode for orphan GPR20.
Cell Discov, 9, 2023
8HS2
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BU of 8hs2 by Molmil
Orphan GPR20 in complex with Fab046
分子名称: Light chain of Fab046, Soluble cytochrome b562,G-protein coupled receptor 20, heavy chain of Fab046
著者Lin, X, Jiang, S, Xu, F.
登録日2022-12-16
公開日2023-03-08
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献The activation mechanism and antibody binding mode for orphan GPR20.
Cell Discov, 9, 2023
6JFW
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BU of 6jfw by Molmil
Crystal structure of PA0833 periplasmic domain from Pseudomonas aeruginosa reveals an unexpected enlarged peptidoglycan binding pocket
分子名称: PA0833-PD protein
著者Lin, X, Ye, F, Lin, S, Yang, F.L, Chen, Z.M, Cao, Y, Chen, Z.J, Gu, J, Lu, G.W.
登録日2019-02-12
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Crystal structure of PA0833 periplasmic domain from Pseudomonas aeruginosa reveals an unexpected enlarged peptidoglycan binding pocket.
Biochem. Biophys. Res. Commun., 511, 2019
9BAG
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BU of 9bag by Molmil
Crystal structure of Oryza sativa ketol-acid reductoisomerase in complex with Mg2+, and JK-5-114
分子名称: 6-hydroxy-2-phenyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, Ketol-acid reductoisomerase, chloroplastic, ...
著者Lin, X, Guddat, L.W.
登録日2024-04-04
公開日2025-04-09
最終更新日2025-07-09
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献A Ketol-Acid Reductoisomerase Inhibitor That Has Antituberculosis and Herbicidal Activity.
Chemistry, 31, 2025
8SXD
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BU of 8sxd by Molmil
Campylobacter jejuni keto-acid reductoisomerase in complex with intermediate and NADP+
分子名称: 3-hydroxy-3-methyl-2-oxobutanoic acid, CHLORIDE ION, Ketol-acid reductoisomerase, ...
著者Lin, X, Lonhienne, T, Guddat, L.W.
登録日2023-05-21
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
8SWM
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BU of 8swm by Molmil
Crystal structure of Campylobacter jejuni ketol-acid reductoisomerase in complex with 2-acetolactate
分子名称: (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid, CHLORIDE ION, Ketol-acid reductoisomerase (NADP(+)), ...
著者Lin, X, Lonhienne, T, Guddat, L.W.
登録日2023-05-19
公開日2024-04-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
8UPP
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BU of 8upp by Molmil
Campylobacter jejuni ketol-acid reductoisomerase in complex with NADPH and Hoe704
分子名称: (2R)-(dimethylphosphoryl)(hydroxy)acetic acid, Ketol-acid reductoisomerase, MAGNESIUM ION, ...
著者Lin, X, Lv, Y, Lonhienne, T, Guddat, L.W.
登録日2023-10-23
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
8UPN
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BU of 8upn by Molmil
Campylobacter jejuni ketol-acid reductoisomerase in complex with NADP+ and HMKB
分子名称: 3-hydroxy-3-methyl-2-oxobutanoic acid, CHLORIDE ION, Ketol-acid reductoisomerase, ...
著者Lin, X, Lonhienne, T, Guddat, L.W.
登録日2023-10-23
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
8UPQ
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BU of 8upq by Molmil
Campylobacter jejuni ketol-acid reductoisomerase in complex with 2,3-dihydroxy-3-isovalerate.
分子名称: (2R)-2,3-dihydroxy-3-methylbutanoic acid, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION
著者Lin, X, Lonhienne, T, Guddat, L.W.
登録日2023-10-23
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
8ZAS
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BU of 8zas by Molmil
Crystal structure of Adenine DNA aptamer bound with adenine
分子名称: ADENINE, DNA (5'-D(*CP*AP*TP*TP*GP*GP*CP*GP*TP*CP*CP*GP*CP*CP*GP*CP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*CP*GP*GP*TP*GP*GP*TP*CP*TP*AP*TP*T)-3'), ...
著者Lin, X, Huang, L.
登録日2024-04-25
公開日2025-04-16
最終更新日2025-06-25
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献From Theophylline to Adenine or preQ 1 : Repurposing a DNA Aptamer Revealed by Crystal Structure Analysis.
Angew.Chem.Int.Ed.Engl., 64, 2025
6LI1
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BU of 6li1 by Molmil
Crystal structure of GPR52 ligand free form with flavodoxin fusion
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera of G-protein coupled receptor 52 and Flavodoxin, DI(HYDROXYETHYL)ETHER, ...
著者Luo, Z.P, Lin, X, Xu, F, Han, G.W.
登録日2019-12-10
公開日2020-02-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020
6LI0
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BU of 6li0 by Molmil
Crystal structure of GPR52 in complex with agonist c17
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRATE ANION, Chimera of G-protein coupled receptor 52 and Flavodoxin, ...
著者Luo, Z.P, Lin, X, Xu, F, Han, G.W.
登録日2019-12-10
公開日2020-02-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020
6LI2
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BU of 6li2 by Molmil
Crystal structure of GPR52 ligand free form with rubredoxin fusion
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera of G-protein coupled receptor 52 and Rubredoxin, DI(HYDROXYETHYL)ETHER, ...
著者Luo, Z.P, Lin, X, Xu, F, Han, G.W.
登録日2019-12-10
公開日2020-02-26
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020

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件を2025-07-09に公開中

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