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7EXC
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BU of 7exc by Molmil
Crystal structure of T2R-TTL-1129A2 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Yang, J.H, Yan, W.
Deposit date:2021-05-26
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structure-Based Design and Synthesis of N-Substituted 3-Amino-beta-Carboline Derivatives as Potent alpha beta-Tubulin Degradation Agents
J.Med.Chem., 65, 2022
6KQI
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BU of 6kqi by Molmil
Structure of an allosteric modulator bound to the CB1 cannabinoid receptor
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 5-chloro-3-ethyl-N-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1H-indole-2-carboxamide, ...
Authors:Shao, Z.H, Yan, W.
Deposit date:2019-08-17
Release date:2019-10-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.245 Å)
Cite:Structure of an allosteric modulator bound to the CB1 cannabinoid receptor.
Nat.Chem.Biol., 15, 2019
7CBZ
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BU of 7cbz by Molmil
Crystal structure of T2R-TTL-A31 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide, CALCIUM ION, ...
Authors:Yang, J.H, Yan, W.
Deposit date:2020-06-15
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Design, Synthesis, and Bioactivity Evaluation of Dual-Target Inhibitors of Tubulin and Src Kinase Guided by Crystal Structure.
J.Med.Chem., 64, 2021
8JIL
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BU of 8jil by Molmil
Cryo-EM structure of niacin bound ketone body receptor HCAR2-Gi signaling complex
Descriptor: CHOLESTEROL, 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:Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H.
Deposit date:2023-05-26
Release date:2023-09-06
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
8JII
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BU of 8jii by Molmil
Cryo-EM structure of compound 9n and niacin bound ketone body receptor HCAR2-Gi signaling complex
Descriptor: 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H.
Deposit date:2023-05-26
Release date:2023-09-06
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
8JHY
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BU of 8jhy by Molmil
Cryo-EM structure of compound 9n bound ketone body receptor HCAR2-Gi signaling complex
Descriptor: 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H.
Deposit date:2023-05-25
Release date:2023-09-06
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
8JIM
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BU of 8jim by Molmil
Cryo-EM structure of MMF bound ketone body receptor HCAR2-Gi signaling complex
Descriptor: (2Z)-4-methoxy-4-oxobut-2-enoic acid, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H.
Deposit date:2023-05-26
Release date:2023-09-06
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
8JZ7
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BU of 8jz7 by Molmil
Cryo-EM structure of MK-6892-bound HCAR2 in complex with Gi protein
Descriptor: 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, 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:Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H.
Deposit date:2023-07-04
Release date:2023-10-04
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Orthosteric ligand selectivity and allosteric probe dependence at Hydroxycarboxylic acid receptor HCAR2.
Signal Transduct Target Ther, 8, 2023
3JU5
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BU of 3ju5 by Molmil
Crystal Structure of Dimeric Arginine Kinase at 1.75-A Resolution
Descriptor: Arginine kinase, MAGNESIUM ION
Authors:Wu, X, Ye, S, Guo, S, Yan, W, Bartlam, M, Rao, Z.
Deposit date:2009-09-14
Release date:2009-09-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for a reciprocating mechanism of negative cooperativity in dimeric phosphagen kinase activity
Faseb J., 24, 2010
3JU6
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BU of 3ju6 by Molmil
Crystal Structure of Dimeric Arginine Kinase in Complex with AMPPNP and Arginine
Descriptor: ARGININE, Arginine kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Wu, X, Ye, S, Guo, S, Yan, W, Bartlam, M, Rao, Z.
Deposit date:2009-09-14
Release date:2009-09-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis for a reciprocating mechanism of negative cooperativity in dimeric phosphagen kinase activity
Faseb J., 24, 2010
6BOF
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BU of 6bof by Molmil
Crystal structure of KRAS A146T-GDP demonstrating open switch 1 conformation
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE
Authors:Bera, A.K, Yan, W, Westover, K.D.
Deposit date:2017-11-20
Release date:2019-05-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Tissue-Specific Oncogenic Activity of KRASA146T.
Cancer Discov, 9, 2019
3SHT
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BU of 3sht by Molmil
Crystal structure of human MCPH1 tandem BRCT domains
Descriptor: Microcephalin
Authors:Shao, Z.H, Li, F.D, Yan, W.
Deposit date:2011-06-17
Release date:2011-12-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Specific recognition of phosphorylated tail of H2AX by the tandem BRCT domains of MCPH1 revealed by complex structure
J.Struct.Biol., 177, 2012
3SHV
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BU of 3shv by Molmil
Crystal structure of human MCPH1 tandem BRCT domains-gamma H2AX complex
Descriptor: Histone H2A.x, Microcephalin
Authors:Shao, Z.H, Li, F.D, Yan, W.
Deposit date:2011-06-17
Release date:2011-12-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Specific recognition of phosphorylated tail of H2AX by the tandem BRCT domains of MCPH1 revealed by complex structure
J.Struct.Biol., 177, 2012
6NZS
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BU of 6nzs by Molmil
Dextranase AoDex KQ11
Descriptor: Dextranase
Authors:Ren, W, Yan, W, Gu, L, Feng, Y, Dong, D, Wang, S, Wang, C, Lyu, M.
Deposit date:2019-02-14
Release date:2019-02-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of thermophilic dextranase from Thermoanaerobacter pseudethanolicus
To Be Published
6MBU
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BU of 6mbu by Molmil
Crystal structure of wild-type KRAS (1-169) bound to GDP and Mg (Space group P3)
Descriptor: GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Dharmaiah, S, Tran, T.H, Yan, W, Simanshu, D.K.
Deposit date:2018-08-30
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structures of N-terminally processed KRAS provide insight into the role of N-acetylation.
Sci Rep, 9, 2019
6MBT
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BU of 6mbt by Molmil
Crystal structure of wild-type KRAS bound to GDP and Mg (Space group C2)
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Dharmaiah, S, Tran, T.H, Yan, W, Simanshu, D.K.
Deposit date:2018-08-30
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structures of N-terminally processed KRAS provide insight into the role of N-acetylation.
Sci Rep, 9, 2019
6M9W
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BU of 6m9w by Molmil
Structure of Mg-free KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE
Authors:Dharmaiah, S, Tran, T.H, Yan, W, Simanshu, D.K.
Deposit date:2018-08-24
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of N-terminally processed KRAS provide insight into the role of N-acetylation.
Sci Rep, 9, 2019
4M3O
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BU of 4m3o by Molmil
Crystal structure of K.lactis Rtr1 NTD
Descriptor: KLLA0F12672p, ZINC ION
Authors:Hsu, P.L, Yang, W, Zheng, N, Varani, G.
Deposit date:2013-08-06
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rtr1 Is a Dual Specificity Phosphatase That Dephosphorylates Tyr1 and Ser5 on the RNA Polymerase II CTD.
J.Mol.Biol., 426, 2014
7Y67
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BU of 7y67 by Molmil
Cryo-EM structure of C089-bound C5aR1(I116A) mutant in complex with Gi protein
Descriptor: C089 peptide, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H.
Deposit date:2022-06-18
Release date:2023-03-01
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
7Y65
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BU of 7y65 by Molmil
Cryo-EM structure of C5a peptide-bound C5aR1 in complex with Gi protein
Descriptor: C5a anaphylatoxin chemotactic receptor 1, C5apep peptide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H.
Deposit date:2022-06-18
Release date:2023-03-01
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
7Y64
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BU of 7y64 by Molmil
Cryo-EM structure of C5a-bound C5aR1 in complex with Gi protein
Descriptor: C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H.
Deposit date:2022-06-18
Release date:2023-03-01
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
7Y66
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BU of 7y66 by Molmil
Cryo-EM structure of BM213-bound C5aR1 in complex with Gi protein
Descriptor: BM213 peptide, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H.
Deposit date:2022-06-18
Release date:2023-03-01
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
1K6Y
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BU of 1k6y by Molmil
Crystal Structure of a Two-Domain Fragment of HIV-1 Integrase
Descriptor: Integrase, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Wang, J, Ling, H, Yang, W, Craigie, R.
Deposit date:2001-10-17
Release date:2001-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of a two-domain fragment of HIV-1 integrase: implications for domain organization in the intact protein.
EMBO J., 20, 2001
5XHZ
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BU of 5xhz by Molmil
Crystal Structure Analysis of CIN85-SH3B in complex with ARAP1-P2
Descriptor: ACETATE ION, Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 1, ...
Authors:Liu, W, Yang, W.
Deposit date:2017-04-25
Release date:2018-04-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.319 Å)
Cite:Biochemical and Structural Studies of the Interaction between ARAP1 and CIN85.
Biochemistry, 57, 2018
1K99
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BU of 1k99 by Molmil
Solution Structure of the first HMG box in human Upstream binding factor
Descriptor: Upstream binding factor 1
Authors:Xu, Y, Yang, W, Wu, J, Shi, Y.
Deposit date:2001-10-28
Release date:2001-11-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the first HMG box domain in human upstream binding factor.
Biochemistry, 41, 2002

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