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8SWM
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BU of 8swm by Molmil
Crystal structure of Campylobacter jejuni ketol-acid reductoisomerase in complex with 2-acetolactate
Descriptor: (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid, CHLORIDE ION, Ketol-acid reductoisomerase (NADP(+)), ...
Authors:Lin, X, Lonhienne, T, Guddat, L.W.
Deposit date:2023-05-19
Release date:2024-04-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
8SXD
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BU of 8sxd by Molmil
Campylobacter jejuni keto-acid reductoisomerase in complex with intermediate and NADP+
Descriptor: 3-hydroxy-3-methyl-2-oxobutanoic acid, CHLORIDE ION, Ketol-acid reductoisomerase, ...
Authors:Lin, X, Lonhienne, T, Guddat, L.W.
Deposit date:2023-05-21
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.59 Å)
Cite: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
Descriptor: 3-hydroxy-3-methyl-2-oxobutanoic acid, CHLORIDE ION, Ketol-acid reductoisomerase, ...
Authors:Lin, X, Lonhienne, T, Guddat, L.W.
Deposit date:2023-10-23
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.59 Å)
Cite: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
Descriptor: (2R)-(dimethylphosphoryl)(hydroxy)acetic acid, Ketol-acid reductoisomerase, MAGNESIUM ION, ...
Authors:Lin, X, Lv, Y, Lonhienne, T, Guddat, L.W.
Deposit date:2023-10-23
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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.
Descriptor: (2R)-2,3-dihydroxy-3-methylbutanoic acid, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION
Authors:Lin, X, Lonhienne, T, Guddat, L.W.
Deposit date:2023-10-23
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
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
Descriptor: Fibroblast growth factor receptor 4, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide, SULFATE ION
Authors:Lin, X, Smaill, J.B, Squire, C.J.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
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
Descriptor: Fibroblast growth factor receptor 4, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide, SULFATE ION
Authors:Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Fibroblast growth factor receptor 1, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide, SULFATE ION
Authors:Lin, X, Smaill, J.B, Squire, C.J.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 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
Authors:Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite: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
Descriptor: 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
Authors:Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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
Authors:Lin, X, Smaill, J.B, Squire, C.J, Yosaatmadja, Y.
Deposit date:2019-02-05
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.117 Å)
Cite:Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4.
Acs Med.Chem.Lett., 10, 2019
8HSC
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BU of 8hsc by Molmil
Gi bound Orphan GPR20 complex with Fab046 in ligand-free state
Descriptor: 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, ...
Authors:Lin, X, Jiang, S, Xu, F.
Deposit date:2022-12-19
Release date:2023-03-08
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite: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
Descriptor: Light chain of Fab046, Soluble cytochrome b562,G-protein coupled receptor 20, heavy chain of Fab046
Authors:Lin, X, Jiang, S, Xu, F.
Deposit date:2022-12-16
Release date:2023-03-08
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:The activation mechanism and antibody binding mode for orphan GPR20.
Cell Discov, 9, 2023
8HS3
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BU of 8hs3 by Molmil
Gi bound orphan GPR20 in ligand-free state
Descriptor: Ggama, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Lin, X, Jiang, S, Xu, F.
Deposit date:2022-12-16
Release date:2023-03-08
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite: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
Descriptor: PA0833-PD protein
Authors:Lin, X, Ye, F, Lin, S, Yang, F.L, Chen, Z.M, Cao, Y, Chen, Z.J, Gu, J, Lu, G.W.
Deposit date:2019-02-12
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Crystal structure of PA0833 periplasmic domain from Pseudomonas aeruginosa reveals an unexpected enlarged peptidoglycan binding pocket.
Biochem. Biophys. Res. Commun., 511, 2019
8HJ1
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BU of 8hj1 by Molmil
GPR21(wt) and Gs complex
Descriptor: 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(s) subunit alpha isoforms short, ...
Authors:Chen, B, Lin, X, Xu, F.
Deposit date:2022-11-22
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
8HIX
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BU of 8hix by Molmil
Cryo-EM structure of GPR21_m5_Gs
Descriptor: 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(s) subunit alpha isoforms short, ...
Authors:Chen, B, Lin, X, Xu, F.
Deposit date:2022-11-22
Release date:2023-03-15
Last modified:2023-03-22
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
8HJ0
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BU of 8hj0 by Molmil
GPR21(m5) and G15 complex
Descriptor: 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(s) subunit alpha isoforms short, ...
Authors:Chen, B, Lin, X.
Deposit date:2022-11-22
Release date:2023-03-15
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
8HJ2
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BU of 8hj2 by Molmil
GPR21 wt with G15 complex
Descriptor: 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(s) subunit alpha isoforms short, ...
Authors:Chen, B, Lin, X, Xu, F.
Deposit date:2022-11-22
Release date:2023-03-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
8J9O
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BU of 8j9o by Molmil
Cryo-EM structure of inactive FZD1
Descriptor: Frizzled-1,Soluble cytochrome b562, anti-BRIL Fab Heavy Chain, anti-BRIL Fab Light Chain, ...
Authors:Lin, X, Xu, F.
Deposit date:2023-05-04
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
8J9N
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BU of 8j9n by Molmil
Gq bound FZD1 in ligand-free state
Descriptor: Frizzled-1, 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, ...
Authors:Lin, X, Xu, F.
Deposit date:2023-05-04
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
7Y9N
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BU of 7y9n by Molmil
an engineered 5-helix bundle derived from SARS-CoV-2 S2 in complex with HR2P
Descriptor: SARS-coV-2 S2 subunit, Spike protein S2',5HB-H2
Authors:Lu, G.W, Lin, X, Guo, L.Y, Lin, S.
Deposit date:2022-06-25
Release date:2022-08-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.885 Å)
Cite:An engineered 5-helix bundle derived from SARS-CoV-2 S2 pre-binds sarbecoviral spike at both serological- and endosomal-pH to inhibit virus entry.
Emerg Microbes Infect, 11, 2022
6LI1
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BU of 6li1 by Molmil
Crystal structure of GPR52 ligand free form with flavodoxin fusion
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera of G-protein coupled receptor 52 and Flavodoxin, DI(HYDROXYETHYL)ETHER, ...
Authors:Luo, Z.P, Lin, X, Xu, F, Han, G.W.
Deposit date:2019-12-10
Release date:2020-02-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRATE ANION, Chimera of G-protein coupled receptor 52 and Flavodoxin, ...
Authors:Luo, Z.P, Lin, X, Xu, F, Han, G.W.
Deposit date:2019-12-10
Release date:2020-02-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera of G-protein coupled receptor 52 and Rubredoxin, DI(HYDROXYETHYL)ETHER, ...
Authors:Luo, Z.P, Lin, X, Xu, F, Han, G.W.
Deposit date:2019-12-10
Release date:2020-02-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020

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