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4MBS
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BU of 4mbs by Molmil
Crystal Structure of the CCR5 Chemokine Receptor
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide, Chimera protein of C-C chemokine receptor type 5 and Rubredoxin, ...
Authors:Tan, Q, Zhu, Y, Han, G.W, Li, J, Fenalti, G, Liu, H, Cherezov, V, Stevens, R.C, GPCR Network (GPCR), Zhao, Q, Wu, B.
Deposit date:2013-08-19
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex.
Science, 341, 2013
7YIS
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BU of 7yis by Molmil
Crystal structure of N-terminal PH domain of ARAP3 protein in complex with inositol 1,3,4,5-tetrakisphosphate
Descriptor: (2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXY BUTOXY)PROPYL BUTYRATE, Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3
Authors:Zhang, Y.J, Liu, Y.R, Wu, B.
Deposit date:2022-07-18
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural Insights Uncover the Specific Phosphoinositide Recognition by the PH1 Domain of Arap3.
Int J Mol Sci, 24, 2023
7YIR
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BU of 7yir by Molmil
Crystal structure of N-terminal PH domain of ARAP3 protein from human
Descriptor: Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3, DI(HYDROXYETHYL)ETHER
Authors:Zhang, Y.J, Liu, Y.R, Wu, B.
Deposit date:2022-07-18
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structural Insights Uncover the Specific Phosphoinositide Recognition by the PH1 Domain of Arap3.
Int J Mol Sci, 24, 2023
4NQK
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BU of 4nqk by Molmil
Structure of an Ubiquitin complex
Descriptor: Probable ATP-dependent RNA helicase DDX58, Ubiquitin
Authors:Peisley, A, Wu, B, Hur, S.
Deposit date:2013-11-25
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural basis for ubiquitin-mediated antiviral signal activation by RIG-I.
Nature, 509, 2014
4NTJ
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BU of 4ntj by Molmil
Structure of the human P2Y12 receptor in complex with an antithrombotic drug
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, P2Y purinoceptor 12,Soluble cytochrome b562,P2Y purinoceptor 12, ...
Authors:Zhang, K, Zhang, J, Gao, Z.-G, Zhang, D, Zhu, L, Han, G.W, Moss, S.M, Paoletta, S, Kiselev, E, Lu, W, Fenalti, G, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR)
Deposit date:2013-12-02
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structure of the human P2Y12 receptor in complex with an antithrombotic drug
Nature, 509, 2014
4PY0
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BU of 4py0 by Molmil
Crystal structure of P2Y12 receptor in complex with 2MeSATP
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), P2Y purinoceptor 12, ...
Authors:Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR)
Deposit date:2014-03-25
Release date:2014-04-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Agonist-bound structure of the human P2Y12 receptor
Nature, 509, 2014
6IIU
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BU of 6iiu by Molmil
Crystal structure of the human thromboxane A2 receptor bound to ramatroban
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid, CHOLESTEROL, ...
Authors:Fan, H, Zhao, Q, Wu, B.
Deposit date:2018-10-07
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for ligand recognition of the human thromboxane A2receptor.
Nat. Chem. Biol., 15, 2019
6IIV
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BU of 6iiv by Molmil
Crystal structure of the human thromboxane A2 receptor bound to daltroban
Descriptor: 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid, CHOLESTEROL, GLYCEROL, ...
Authors:Fan, H, Zhao, Q, Wu, B.
Deposit date:2018-10-07
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for ligand recognition of the human thromboxane A2receptor.
Nat. Chem. Biol., 15, 2019
6J20
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BU of 6j20 by Molmil
Crystal structure of the human NK1 substance P receptor
Descriptor: 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, Substance-P receptor,Endolysin
Authors:Chen, S, Lu, M, Zhang, H, Wu, B, Zhao, Q.
Deposit date:2018-12-30
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Nat Commun, 10, 2019
6J21
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BU of 6j21 by Molmil
Crystal structure of the human NK1 substance P receptor
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, Substance-P receptor,Endolysin
Authors:Chen, S, Lu, M, Zhang, H, Wu, B, Zhao, Q.
Deposit date:2018-12-30
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Nat Commun, 10, 2019
6JIF
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BU of 6jif by Molmil
Crystal Structures of Branched-Chain Aminotransferase from Pseudomonas sp. UW4
Descriptor: Branched-chain-amino-acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Zheng, X, Guo, L, Li, D.F, Wu, B.
Deposit date:2019-02-21
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical and structural characterization of a highly active branched-chain amino acid aminotransferase from Pseudomonas sp. for efficient biosynthesis of chiral amino acids.
Appl.Microbiol.Biotechnol., 103, 2019
6KY5
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BU of 6ky5 by Molmil
Crystal structure of a hydrolase mutant
Descriptor: PET hydrolase, SULFATE ION
Authors:Cui, Y.L, Chen, Y.C, Liu, X.Y, Dong, S.J, Han, J, Xiang, H, Chen, Q, Liu, H.Y, Han, X, Liu, W.D, Tang, S.Y, Wu, B.
Deposit date:2019-09-16
Release date:2020-09-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:Computational redesign of PETase for plasticbiodegradation by GRAPE strategy.
Biorxiv, 2020
6LML
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BU of 6lml by Molmil
Cryo-EM structure of the human glucagon receptor in complex with Gi1
Descriptor: Glucagon, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Qiao, A, Han, S, Li, X, Sun, F, Zhao, Q, Wu, B.
Deposit date:2019-12-26
Release date:2020-04-01
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of Gsand Girecognition by the human glucagon receptor.
Science, 367, 2020
6LW5
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BU of 6lw5 by Molmil
Crystal structure of the human formyl peptide receptor 2 in complex with WKYMVm
Descriptor: CHOLESTEROL, Soluble cytochrome b562,N-formyl peptide receptor 2, TRP-LYS-TYR-MET-VAL-QXV
Authors:Chen, T, Zong, X, Zhang, H, Wang, M, Zhao, Q, Wu, B.
Deposit date:2020-02-07
Release date:2020-03-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of ligand binding modes at the human formyl peptide receptor 2.
Nat Commun, 11, 2020
6LMK
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BU of 6lmk by Molmil
Cryo-EM structure of the human glucagon receptor in complex with Gs
Descriptor: Glucagon, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Qiao, A, Han, S, Tai, L, Sun, F, Zhao, Q, Wu, B.
Deposit date:2019-12-26
Release date:2020-04-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of Gsand Girecognition by the human glucagon receptor.
Science, 367, 2020
7VF5
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BU of 7vf5 by Molmil
Human m6A-METTL associated complex (WTAP, VIRMA, and HAKAI)
Descriptor: Pre-mRNA-splicing regulator WTAP, Protein virilizer homolog
Authors:Su, S, Li, S, Deng, T, Gao, M, Yin, Y, Wu, B, Peng, C, Liu, J, Ma, J, Zhang, K.
Deposit date:2021-09-10
Release date:2022-09-14
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structures of human m6A writer complexes.
Cell Res., 32, 2022
7VF2
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BU of 7vf2 by Molmil
Human m6A-METTL associated complex (WTAP, VIRMA, ZC3H13, and HAKAI)
Descriptor: Pre-mRNA-splicing regulator WTAP, Protein virilizer homolog, Zinc finger CCCH domain-containing protein 13
Authors:Su, S, Li, S, Deng, T, Gao, M, Yin, Y, Wu, B, Peng, C, Liu, J, Ma, J, Zhang, K.
Deposit date:2021-09-10
Release date:2022-09-14
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structures of human m6A writer complexes.
Cell Res., 32, 2022
7XNA
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BU of 7xna by Molmil
Crystal structure of somatostatin receptor 2 (SSTR2) with peptide antagonist CYN 154806
Descriptor: CYN 154806, Somatostatin receptor type 2,Endo-1,4-beta-xylanase
Authors:Zhao, W, Han, S, Qiu, N, Feng, W, Lu, M, Yang, D, Wang, M.-W, Wu, B, Zhao, Q.
Deposit date:2022-04-28
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7XMS
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BU of 7xms by Molmil
CryoEM structure of somatostatin receptor 4 (SSTR4) in complex with Gi1 and its endogeneous ligand SST-14
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:Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
Deposit date:2022-04-26
Release date:2022-08-03
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7XN9
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BU of 7xn9 by Molmil
Crystal structure of SSTR2 and L-054,522 complex
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Somatostatin receptor type 2,Endo-1,4-beta-xylanase, tert-butyl (2S)-6-azanyl-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate
Authors:Zhao, W, Han, S, Qiu, N, Feng, W, Lu, M, Yang, D, Wang, M.-W, Wu, B, Zhao, Q.
Deposit date:2022-04-28
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7XMT
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BU of 7xmt by Molmil
CryoEM structure of somatostatin receptor 4 (SSTR4) with Gi1 and J-2156
Descriptor: (2~{S})-2-[[(2~{S})-4-azanyl-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanoyl]amino]-3-phenyl-propanimidic 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:Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
Deposit date:2022-04-26
Release date:2022-08-03
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7XMR
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BU of 7xmr by Molmil
CryoEM structure of the somatostatin receptor 2 (SSTR2) in complex with Gi1 and its endogeneous peptide ligand SST-14
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:Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
Deposit date:2022-04-26
Release date:2022-08-03
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7XXL
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BU of 7xxl by Molmil
RBD in complex with Fab14
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab14 heavy chain, Fab14 light chain, ...
Authors:Lin, J.Q, Tan, Y.J.E, Wu, B, Lescar, J.
Deposit date:2022-05-30
Release date:2022-09-14
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
6CNU
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BU of 6cnu by Molmil
Crystal Structure of JzTX-V
Descriptor: BROMIDE ION, GLYCEROL, JzTx-V, ...
Authors:Min, X, Wang, Z.
Deposit date:2018-03-09
Release date:2019-03-06
Last modified:2020-03-04
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Discovery of Tarantula Venom-Derived NaV1.7-Inhibitory JzTx-V Peptide 5-Br-Trp24 Analogue AM-6120 with Systemic Block of Histamine-Induced Pruritis.
J. Med. Chem., 61, 2018
4WSY
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BU of 4wsy by Molmil
Crystal structure of human Pim-1 kinase in complex with a thiazolamine-indazole inhibitor.
Descriptor: 5-[3-(quinolin-3-yl)-2H-indazol-5-yl]-1,3-thiazol-2-amine, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2014-10-28
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 5-(1H-indol-5-yl)-1,3,4-thiadiazol-2-amines as potent PIM inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015

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