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4PES
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BU of 4pes by Molmil
Crystal structure of insulin degrading enzyme complexed with inhibitor tert-butyl [(2S)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
Descriptor: Ala-Ala-Ala, Insulin-degrading enzyme, ZINC ION, ...
Authors:Wang, Y, Guo, S.
Deposit date:2014-04-24
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of IDE complexed with an inhibitor
To Be Published
7CFN
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BU of 7cfn by Molmil
Cryo-EM structure of the INT-777-bound GPBAR-Gs complex
Descriptor: (2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid, CHOLESTEROL, G-protein coupled bile acid receptor 1, ...
Authors:Yang, F, Mao, C, Guo, L, Lin, J, Ming, Q, Xiao, P, Wu, X, Shen, Q, Guo, S, Shen, D, Lu, R, Zhang, L, Huang, S, Ping, Y, Zhang, C, Ma, C, Zhang, K, Liang, X, Shen, Y, Nan, F, Yi, F, Luca, V, Zhou, J, Jiang, C, Sun, J, Xie, X, Yu, X, Zhang, Y.
Deposit date:2020-06-27
Release date:2020-09-09
Last modified:2021-04-07
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of GPBAR activation and bile acid recognition.
Nature, 587, 2020
7CFM
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BU of 7cfm by Molmil
Cryo-EM structure of the P395-bound GPBAR-Gs complex
Descriptor: 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide, CHOLESTEROL, G-protein coupled bile acid receptor 1, ...
Authors:Yang, F, Mao, C, Guo, L, Lin, J, Ming, Q, Xiao, P, Wu, X, Shen, Q, Guo, S, Shen, D, Lu, R, Zhang, L, Huang, S, Ping, Y, Zhang, C, Ma, C, Zhang, K, Liang, X, Shen, Y, Nan, F, Yi, F, Luca, V, Zhou, J, Jiang, C, Sun, J, Xie, X, Yu, X, Zhang, Y.
Deposit date:2020-06-27
Release date:2020-09-09
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of GPBAR activation and bile acid recognition.
Nature, 587, 2020
8HPF
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BU of 8hpf by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with fab L4.65 and L5.34
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2', fab L4.65, ...
Authors:Gao, G.F, Liu, S.
Deposit date:2022-12-12
Release date:2023-12-20
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.34 Å)
Cite:Dosing interval regimen shapes potency and breadth of antibody repertoire after vaccination of SARS-CoV-2 RBD protein subunit vaccine.
Cell Discov, 9, 2023
8HQ7
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BU of 8hq7 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron Prototype RBD in complex with fab L4.65 and L5.34
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, fab L4.65, ...
Authors:Gao, G.F, Liu, S.
Deposit date:2022-12-13
Release date:2023-12-20
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Dosing interval regimen shapes potency and breadth of antibody repertoire after vaccination of SARS-CoV-2 RBD protein subunit vaccine.
Cell Discov, 9, 2023
8HPU
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BU of 8hpu by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.4 RBD in complex with fab L4.65 and L5.34
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2', fab L4.65, ...
Authors:Gao, G.F, Liu, S.
Deposit date:2022-12-13
Release date:2023-12-20
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Dosing interval regimen shapes potency and breadth of antibody repertoire after vaccination of SARS-CoV-2 RBD protein subunit vaccine.
Cell Discov, 9, 2023
8HP9
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BU of 8hp9 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 S-trimer in complex with fab L4.65 and L5.34
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2', fab L4.65, ...
Authors:Gao, G.F, Liu, S.
Deposit date:2022-12-12
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Dosing interval regimen shapes potency and breadth of antibody repertoire after vaccination of SARS-CoV-2 RBD protein subunit vaccine.
Cell Discov, 9, 2023
8HPV
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BU of 8hpv by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron Prototype S-trimer in complex with fab L4.65 and L5.34
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2', fab L4.65, ...
Authors:Gao, G.F, Liu, S.
Deposit date:2022-12-13
Release date:2024-01-31
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Dosing interval regimen shapes potency and breadth of antibody repertoire after vaccination of SARS-CoV-2 RBD protein subunit vaccine.
Cell Discov, 9, 2023
8HPQ
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BU of 8hpq by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.4 S-trimer in complex with fab L4.65 and L5.34
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2', fab L4.65, ...
Authors:Gao, G.F, Liu, S.
Deposit date:2022-12-12
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Dosing interval regimen shapes potency and breadth of antibody repertoire after vaccination of SARS-CoV-2 RBD protein subunit vaccine.
Cell Discov, 9, 2023
4ZRD
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BU of 4zrd by Molmil
Crystal structure of SMG1 F278N mutant
Descriptor: GLYCEROL, LIP1, secretory lipase (Family 3), ...
Authors:Xu, J, Xu, H, Hou, S, Liu, J.
Deposit date:2015-05-12
Release date:2015-09-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of product-bound SMG1 lipase: active site gating implications.
Febs J., 282, 2015
4ZRE
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BU of 4zre by Molmil
Crystal structure of SMG1 F278D mutant
Descriptor: CHLORIDE ION, LIP1, secretory lipase (Family 3), ...
Authors:Xu, J, Xu, H, Hou, S, Liu, J.
Deposit date:2015-05-12
Release date:2015-09-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of product-bound SMG1 lipase: active site gating implications.
Febs J., 282, 2015
6LAN
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BU of 6lan by Molmil
Structure of CCDC50 and LC3B complex
Descriptor: Coiled-coil domain-containing protein 50,Microtubule-associated proteins 1A/1B light chain 3B
Authors:Liu, L, Li, J, Hou, P.
Deposit date:2019-11-12
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:A novel selective autophagy receptor, CCDC50, delivers K63 polyubiquitination-activated RIG-I/MDA5 for degradation during viral infection.
Cell Res., 31, 2021
8UG1
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BU of 8ug1 by Molmil
Crystal structure of KHK-C and compound 13
Descriptor: GLYCEROL, Ketohexokinase, SULFATE ION, ...
Authors:Durbin, J.D, Guo, S.Y.
Deposit date:2023-10-05
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor.
J.Med.Chem., 66, 2023
8UG3
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BU of 8ug3 by Molmil
Crystal structure of KHK-C and compound 23
Descriptor: 2-[(4P)-4-{2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl}-1H-pyrazol-1-yl]-1-(piperazin-1-yl)ethan-1-one, GLYCEROL, Ketohexokinase, ...
Authors:Durbin, J.D, Guo, S.Y.
Deposit date:2023-10-05
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor.
J.Med.Chem., 66, 2023
4NFF
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BU of 4nff by Molmil
Human kallikrein-related peptidase 2 in complex with PPACK
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Kallikrein-2
Authors:Skala, W, Brandstetter, H, Magdolen, V, Goettig, P.
Deposit date:2013-10-31
Release date:2014-10-29
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-function analyses of human kallikrein-related peptidase 2 establish the 99-loop as master regulator of activity
J.Biol.Chem., 289, 2014
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
6LI3
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BU of 6li3 by Molmil
cryo-EM structure of GPR52-miniGs-NB35
Descriptor: G-protein coupled receptor 52, 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:Li, M, Wang, N, Xu, F, Wu, J, Lei, M.
Deposit date:2019-12-10
Release date:2020-02-26
Last modified:2020-03-18
Method:ELECTRON MICROSCOPY (3.32 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
8HRD
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BU of 8hrd by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant in complex with IMCAS74 Fab and W14 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS74 Fab heavy chain, IMCAS74 Fab light chain, ...
Authors:Zhao, R.C, Wu, L.L, Han, P.
Deposit date:2022-12-15
Release date:2023-12-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8X17
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BU of 8x17 by Molmil
Cryo-EM structure of adenosine receptor A3AR bound to CF102
Descriptor: Adenosine receptor A3, 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:Cai, H, Xu, Y, Xu, H.E.
Deposit date:2023-11-06
Release date:2024-04-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Cryo-EM structures of adenosine receptor A 3 AR bound to selective agonists.
Nat Commun, 15, 2024
8X16
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BU of 8x16 by Molmil
Cryo-EM structure of adenosine receptor A3AR bound to CF101
Descriptor: Adenosine receptor A3, 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:Cai, H, Xu, Y, Xu, H.E.
Deposit date:2023-11-06
Release date:2024-04-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Cryo-EM structures of adenosine receptor A 3 AR bound to selective agonists.
Nat Commun, 15, 2024
6OHX
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BU of 6ohx by Molmil
Solution structure of scorpion Hottentotta jayakari venom toxin Hj1a
Descriptor: Venom toxin Hj1a
Authors:Chin, Y.K.-Y, Chow, C.Y, King, G.F.
Deposit date:2019-04-08
Release date:2020-02-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Venom Peptides with Dual Modulatory Activity on the Voltage-Gated Sodium Channel NaV1.1 Provide Novel Leads for Development of Antiepileptic Drugs.
Acs Pharmacol Transl Sci, 3, 2020
8JLJ
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BU of 8jlj by Molmil
T1AM-bound mTAAR1-Gs protein complex
Descriptor: 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol, 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:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JLR
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BU of 8jlr by Molmil
A77636-bound hTAAR1-Gs protein complex
Descriptor: (1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol, 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:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023

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數據於2024-06-12公開中

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