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3CS8
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BU of 3cs8 by Molmil
Structural and Biochemical Basis for the Binding Selectivity of PPARg to PGC-1a
Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), PGC-1alfa peptide, ...
Authors:Li, Y, Martynowski, D.
Deposit date:2008-04-09
Release date:2008-06-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and biochemical basis for the binding selectivity of peroxisome proliferator-activated receptor gamma to PGC-1alpha.
J.Biol.Chem., 283, 2008
3CWD
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BU of 3cwd by Molmil
Molecular recognition of nitro-fatty acids by PPAR gamma
Descriptor: (9E,12Z)-10-nitrooctadeca-9,12-dienoic acid, (9Z,12E)-12-nitrooctadeca-9,12-dienoic acid, Peroxisome proliferator-activated receptor gamma, ...
Authors:Martynowski, D, Li, Y.
Deposit date:2008-04-21
Release date:2008-07-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular recognition of nitrated fatty acids by PPAR gamma.
Nat.Struct.Mol.Biol., 15, 2008
7WPC
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BU of 7wpc by Molmil
The second RBD of SARS-CoV-2 Omicron Variant in complexed with RBD-ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S, Xu, E.
Deposit date:2022-01-23
Release date:2022-03-09
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
7WPA
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BU of 7wpa by Molmil
SARS-CoV-2 Omicron Variant SPIKE trimer complexed with ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S, Xu, E.
Deposit date:2022-01-23
Release date:2022-03-09
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
7WP9
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BU of 7wp9 by Molmil
SARS-CoV-2 Omicron Variant SPIKE trimer, all RBDs down
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:Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S, Xu, E.
Deposit date:2022-01-23
Release date:2022-03-09
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
7WPB
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BU of 7wpb by Molmil
SARS-CoV-2 Omicron Variant RBD complexed with ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ...
Authors:Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S, Xu, E.
Deposit date:2022-01-23
Release date:2022-03-09
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
7D9O
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BU of 7d9o by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 2
Descriptor: (2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
Authors:Liu, Q.F, Yin, W.C.
Deposit date:2020-10-14
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
8JBH
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BU of 8jbh by Molmil
Substance P bound to active human neurokinin 3 receptor in complex with Gq
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 Gq subunit alpha (G324), ...
Authors:Sun, W.J, Yang, F, Zhang, H.H, Yuan, Q.N, Yin, W.C, Shi, P, Eric, X, Tian, C.L.
Deposit date:2023-05-08
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insights into neurokinin 3 receptor activation by endogenous and analogue peptide agonists.
Cell Discov, 9, 2023
8JBG
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BU of 8jbg by Molmil
Neurokinin B bound to active human neurokinin 3 receptor in complex with Gq
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 Gq (G324), ...
Authors:Sun, W.J, Yang, F, Zhang, H.H, Yuan, Q.N, Yin, W.C, Shi, P, Eric, X, Tian, C.L.
Deposit date:2023-05-08
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural insights into neurokinin 3 receptor activation by endogenous and analogue peptide agonists.
Cell Discov, 9, 2023
8JBF
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BU of 8jbf by Molmil
Senktide bound to active human neurokinin 3 receptor in complex with Gq
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 Gq subunit alpha, ...
Authors:Sun, W.J, Yang, F, Zhang, H.H, Yuan, Q.N, Yin, W.C, Shi, P, Eric, X, Tian, C.L.
Deposit date:2023-05-08
Release date:2024-02-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into neurokinin 3 receptor activation by endogenous and analogue peptide agonists.
Cell Discov, 9, 2023
8IF6
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BU of 8if6 by Molmil
Conformational Dynamics of the D53-D3-D14 Complex in Strigolactone Signaling
Descriptor: F-box/LRR-repeat MAX2 homolog, SKP1-like protein 20, Strigolactone esterase D14
Authors:Liu, S.M, Wang, J.
Deposit date:2023-02-17
Release date:2023-07-12
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (7.09 Å)
Cite:Conformational Dynamics of the D53-D3-D14 Complex in Strigolactone Signaling.
Plant Cell.Physiol., 64, 2023
7CMU
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BU of 7cmu by Molmil
Dopamine Receptor D3R-Gi-Pramipexole complex
Descriptor: (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine, 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, P, Huang, S, Mao, C, Krumm, B, Zhou, X, Tan, Y, Huang, X.-P, Liu, Y, Shen, D.-D, Jiang, Y, Yu, X, Jiang, H, Melcher, K, Roth, B, Cheng, X, Zhang, Y, Xu, H.
Deposit date:2020-07-29
Release date:2021-03-10
Last modified:2021-04-07
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structures of the human dopamine D3 receptor-G i complexes.
Mol.Cell, 81, 2021
7CMV
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BU of 7cmv by Molmil
Dopamine Receptor D3R-Gi-PD128907 complex
Descriptor: (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol, 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, P, Huang, S, Mao, C, Krumm, B, Zhou, X, Tan, Y, Huang, X.-P, Liu, Y, Shen, D.-D, Jiang, Y, Yu, X, Jiang, H, Melcher, K, Roth, B, Cheng, X, Zhang, Y, Xu, H.
Deposit date:2020-07-29
Release date:2021-03-10
Last modified:2021-04-07
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structures of the human dopamine D3 receptor-G i complexes.
Mol.Cell, 81, 2021
7D9P
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BU of 7d9p by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 12
Descriptor: (2S)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
Authors:Liu, Q.F, Yin, W.C.
Deposit date:2020-10-14
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
7D9Q
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BU of 7d9q by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 7
Descriptor: (2S)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
Authors:Liu, Q.F, Yin, W.C.
Deposit date:2020-10-14
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
8HCX
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BU of 8hcx by Molmil
Cryo-EM structure of Endothelin1-bound ETBR-Gq complex
Descriptor: Endothelin receptor type B,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, Endothelin-1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yuan, Q, Jiang, Y, Xu, H.E, Ji, Y, Duan, J.
Deposit date:2022-11-03
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of peptide recognition and activation of endothelin receptors.
Nat Commun, 14, 2023
8HBD
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BU of 8hbd by Molmil
Cryo-EM structure of IRL1620-bound ETBR-Gi complex
Descriptor: Endothelin receptor type B,Endothelin receptor type B,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, 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:Yuan, Q, Ji, Y, Jiang, Y, Duan, J, Xu, H.E.
Deposit date:2022-10-28
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Structural basis of peptide recognition and activation of endothelin receptors.
Nat Commun, 14, 2023
8HCQ
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BU of 8hcq by Molmil
Cryo-EM structure of endothelin1-bound ETAR-Gq complex
Descriptor: Endothelin-1, Endothelin-1 receptor,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yuan, Q, Jiang, Y, Xu, H.E, Ji, Y, Duan, J.
Deposit date:2022-11-02
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural basis of peptide recognition and activation of endothelin receptors.
Nat Commun, 14, 2023
7XWX
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BU of 7xwx by Molmil
Crystal structure of SARS-CoV-2 N-CTD
Descriptor: Nucleoprotein, PHOSPHATE ION
Authors:Luan, X.D, Li, X.M, Li, Y.F.
Deposit date:2022-05-27
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein.
Sci Bull (Beijing), 67, 2022
7XX1
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BU of 7xx1 by Molmil
Crystal structure of SARS-CoV-2 N-NTD
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nucleoprotein, ZINC ION
Authors:Luan, X.D, Li, X.M, Li, Y.F.
Deposit date:2022-05-27
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein.
Sci Bull (Beijing), 67, 2022
7XWZ
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BU of 7xwz by Molmil
Crystal structure of SARS-CoV-2 N-NTD and dsRNA complex
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Nucleoprotein, ...
Authors:Luan, X.D, Li, X.M, Li, Y.F.
Deposit date:2022-05-27
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein.
Sci Bull (Beijing), 67, 2022
7C2E
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BU of 7c2e by Molmil
GLP-1R-Gs complex structure with a small molecule full agonist
Descriptor: 2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Ma, H, Yuan, D.P, Huang, W, Wenge, Z, Xu, E.
Deposit date:2020-05-07
Release date:2020-08-26
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural insights into the activation of GLP-1R by a small molecule agonist.
Cell Res., 30, 2020
7D77
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BU of 7d77 by Molmil
Cryo-EM structure of the cortisol-bound adhesion receptor GPR97-Go complex
Descriptor: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, Adhesion G protein-coupled receptor G3; GPR97, CHOLESTEROL, ...
Authors:Ping, Y, Mao, C, Xiao, P, Zhao, R, Jiang, Y, Yang, Z, An, W, Shen, D, Yang, F, Zhang, H, Qu, C, Shen, Q, Tian, C, Li, Z, Li, S, Wang, G, Tao, X, Wen, X, Zhong, Y, Yang, J, Yi, F, Yu, X, Xu, E, Zhang, Y, Sun, J.
Deposit date:2020-10-03
Release date:2021-02-03
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structures of the glucocorticoid-bound adhesion receptor GPR97-G o complex.
Nature, 589, 2021
7D76
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BU of 7d76 by Molmil
Cryo-EM structure of the beclomethasone-bound adhesion receptor GPR97-Go complex
Descriptor: (8~{S},9~{R},10~{S},11~{S},13~{S},14~{S},16~{S},17~{R})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one, Adhesion G protein-coupled receptor G3; GPR97, CHOLESTEROL, ...
Authors:Ping, Y, Mao, C, Xiao, P, Zhao, R, Jiang, Y, Yang, Z, An, W, Shen, D, Yang, F, Zhang, H, Qu, C, Shen, Q, Tian, C, Li, Z, Li, S, Wang, G, Tao, X, Wen, X, Zhong, Y, Yang, J, Yi, F, Yu, X, Xu, E, Zhang, Y, Sun, J.
Deposit date:2020-10-03
Release date:2021-02-03
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structures of the glucocorticoid-bound adhesion receptor GPR97-G o complex.
Nature, 589, 2021
1A6R
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BU of 1a6r by Molmil
GAL6 (YEAST BLEOMYCIN HYDROLASE) MUTANT C73A
Descriptor: GAL6, SULFATE ION
Authors:Joshua-Tor, L, Zheng, W, Johnston, S.A.
Deposit date:1998-02-27
Release date:1998-10-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The unusual active site of Gal6/bleomycin hydrolase can act as a carboxypeptidase, aminopeptidase, and peptide ligase.
Cell(Cambridge,Mass.), 93, 1998

221051

数据于2024-06-12公开中

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