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7SEL
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BU of 7sel by Molmil
E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3)
Descriptor: (2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ATP-dependent lipid A-core flippase
Authors:Payandeh, J, Koth, C.M, Verma, V.A.
Deposit date:2021-09-30
Release date:2022-03-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.978 Å)
Cite:Discovery of Inhibitors of the Lipopolysaccharide Transporter MsbA: From a Screening Hit to Potent Wild-Type Gram-Negative Activity.
J.Med.Chem., 65, 2022
9JLQ
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BU of 9jlq by Molmil
Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus wild type apo
Descriptor: Glycoside hydrolase family 57 N-terminal domain-containing protein
Authors:Zhu, Z.M, Wang, W.W, Yu, F, Wang, Q.S.
Deposit date:2024-09-19
Release date:2025-06-04
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:High-Temperature Crystallization Method for the GH57 Family Hyperthermophilic Amylopullulanase from Aquifex aeolicus
Cryst.Growth Des., 24, 2024
7F24
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BU of 7f24 by Molmil
Cryo-EM structure of the GTP-bound dopamine receptor 1 and mini-Gs complex without Nb35
Descriptor: D(1A) dopamine receptor, GUANOSINE-5'-TRIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xiao, T, Zheng, S.
Deposit date:2021-06-10
Release date:2022-06-15
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:Structural insights into G protein activation by D1 dopamine receptor.
Sci Adv, 8, 2022
7F0T
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BU of 7f0t by Molmil
Cryo-EM structure of dopamine receptor 1 and mini-Gs complex with dopamine bound
Descriptor: D(1A) dopamine receptor, 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:Xiao, T, Zheng, S.
Deposit date:2021-06-07
Release date:2022-06-15
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into G protein activation by D1 dopamine receptor.
Sci Adv, 8, 2022
7F23
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BU of 7f23 by Molmil
Cryo-EM structure of the GTP-bound dopamine receptor 1 and mini-Gs complex with Nb35
Descriptor: D(1A) dopamine receptor, GUANOSINE-5'-TRIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xiao, T, Zheng, S.
Deposit date:2021-06-10
Release date:2022-06-15
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Structural insights into G protein activation by D1 dopamine receptor.
Sci Adv, 8, 2022
7F1O
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BU of 7f1o by Molmil
Cryo-EM structure of the GDP-bound dopamine receptor 1 and mini-Gs complex with Nb35
Descriptor: D(1A) dopamine receptor, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xiao, T, Zheng, S.
Deposit date:2021-06-09
Release date:2022-06-15
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structural insights into G protein activation by D1 dopamine receptor.
Sci Adv, 8, 2022
7F1Z
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BU of 7f1z by Molmil
Cryo-EM structure of the GDP-bound dopamine receptor 1 and mini-Gs complex without Nb35
Descriptor: D(1A) dopamine receptor, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xiao, T, Zheng, S.
Deposit date:2021-06-10
Release date:2022-06-15
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Structural insights into G protein activation by D1 dopamine receptor.
Sci Adv, 8, 2022
8H10
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BU of 8h10 by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-2 Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ...
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-10-19
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H13
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BU of 8h13 by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x2 Disulfide (G400C and V969C), Closed Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-10-19
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H14
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BU of 8h14 by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x3 Disulfide (D414C and V969C), Locked-1 Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-10-19
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H16
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BU of 8h16 by Molmil
Structure of SARS-CoV-1 Spike Protein (S/native) at pH 5.5, Open Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.35534 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H11
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BU of 8h11 by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Closed Conformation
Descriptor: 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
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H12
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BU of 8h12 by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x2 Disulfide (G400C and V969C), Locked-2 Conformation
Descriptor: 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
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.44681 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H15
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BU of 8h15 by Molmil
Structure of SARS-CoV-1 Spike Protein (S/native) at pH 5.5, Closed Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.14182 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H0X
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BU of 8h0x by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-1 Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, LINOLEIC ACID, ...
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H0Y
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BU of 8h0y by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-112 Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, LINOLEIC ACID, ...
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
5I9D
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BU of 5i9d by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U8A2 in complex with its target RNA U8A2
Descriptor: RNA (5'-R(*GP*GP*GP*G*UP*UP*UP*UP*AP*AP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8A2
Authors:Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P.
Deposit date:2016-02-20
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
7T79
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BU of 7t79 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE
Descriptor: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7T78
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BU of 7t78 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
Descriptor: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
5I9G
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BU of 5i9g by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U8C2 in complex with its target RNA U8C2
Descriptor: RNA (5'-R(*GP*GP*G*GP*UP*UP*UP*UP*CP*CP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8C2
Authors:Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P.
Deposit date:2016-02-20
Release date:2016-04-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
9IHW
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BU of 9ihw by Molmil
Crystal structure of GH57 family amylopullulanase mutant D352N from Aquifex aeolicusin complex with Maltohexaose
Descriptor: GLYCEROL, Glycoside hydrolase family 57 N-terminal domain-containing protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Zhu, Z.M, Wang, W.W, Yu, F.
Deposit date:2024-06-18
Release date:2025-06-04
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:The crystal structure of GH57 family amylopullulanase reveals its dual binding pockets sharing the same catalytic dyad.
Commun Biol, 8, 2025
9II1
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BU of 9ii1 by Molmil
GH57 family Amylopullulanase mutant E256L from Aquifex aeolicus in complex with maltohexaose
Descriptor: GLYCEROL, Glycoside hydrolase family 57 N-terminal domain-containing protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Zhu, Z.M, Wang, W.W, Yu, F.
Deposit date:2024-06-18
Release date:2025-06-04
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:The crystal structure of GH57 family amylopullulanase reveals its dual binding pockets sharing the same catalytic dyad.
Commun Biol, 8, 2025
9II0
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BU of 9ii0 by Molmil
Crystal structure of GH57 family amylopullulanase mutant D352N from Aquifex aeolicus in complex with Maltooctaose
Descriptor: GLYCEROL, Glycoside hydrolase family 57 N-terminal domain-containing protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Zhu, Z.M, Wang, W.W, Yu, F.
Deposit date:2024-06-18
Release date:2025-06-04
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The crystal structure of GH57 family amylopullulanase reveals its dual binding pockets sharing the same catalytic dyad.
Commun Biol, 8, 2025
9IHX
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BU of 9ihx by Molmil
Co-crystal structure of GH57 family amylopullulanase wild type from Aquifex aeolicus with maltopentaose
Descriptor: GLYCEROL, Glycoside hydrolase family 57 N-terminal domain-containing protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Zhu, Z.M, Wang, W.W, Yu, F.
Deposit date:2024-06-18
Release date:2025-06-04
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The crystal structure of GH57 family amylopullulanase reveals its dual binding pockets sharing the same catalytic dyad.
Commun Biol, 8, 2025
9IHV
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BU of 9ihv by Molmil
Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus mutant D352N in complex with maltopentaose
Descriptor: GLYCEROL, Glycoside hydrolase family 57 N-terminal domain-containing protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Zhu, Z.M, Wang, W.W, Yu, F.
Deposit date:2024-06-18
Release date:2025-06-04
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:The crystal structure of GH57 family amylopullulanase reveals its dual binding pockets sharing the same catalytic dyad.
Commun Biol, 8, 2025

238582

건을2025-07-09부터공개중

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