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5HEX
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BU of 5hex by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 30, a 2-amino-6-benzenesulfonamide glucosamine
Descriptor: 2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-D-glucopyranos e, Hexokinase-2
Authors:Campobasso, N, Zhao, B, Smallwood, A.
Deposit date:2016-01-06
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.734 Å)
Cite:Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5HG1
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BU of 5hg1 by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 1, a C-2-substituted glucosamine
Descriptor: 2-deoxy-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose, CITRATE ANION, ...
Authors:Campobasso, N, Zhao, B, Smallwood, A.
Deposit date:2016-01-07
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
8JXT
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BU of 8jxt by Molmil
Histamine-bound H4R/Gi complex
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:He, Y, Xia, R.
Deposit date:2023-07-01
Release date:2024-03-20
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Structural basis of ligand recognition and design of antihistamines targeting histamine H 4 receptor.
Nat Commun, 15, 2024
8JXW
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BU of 8jxw by Molmil
VUF6884-bound H4R/Gi complex
Descriptor: 2-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine, 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:He, Y, Xia, R.
Deposit date:2023-07-01
Release date:2024-03-20
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural basis of ligand recognition and design of antihistamines targeting histamine H 4 receptor.
Nat Commun, 15, 2024
8JXX
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BU of 8jxx by Molmil
Clobenpropit-bound H4R/Gi complex
Descriptor: 3-(1~{H}-imidazol-4-yl)propyl ~{N}'-[(4-chlorophenyl)methyl]carbamimidothioate, 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:He, Y, Xia, R.
Deposit date:2023-07-01
Release date:2024-03-20
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural basis of ligand recognition and design of antihistamines targeting histamine H 4 receptor.
Nat Commun, 15, 2024
8JXV
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BU of 8jxv by Molmil
Clozapine-bound H4R/Gi complex
Descriptor: 3-chloranyl-6-(4-methylpiperazin-1-yl)-11~{H}-benzo[b][1,4]benzodiazepine, 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:He, Y, Xia, R.
Deposit date:2023-07-01
Release date:2024-03-20
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structural basis of ligand recognition and design of antihistamines targeting histamine H 4 receptor.
Nat Commun, 15, 2024
7UW6
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BU of 7uw6 by Molmil
The co-crystal structure of low molecular weight protein tyrosine phosphatase (LMW-PTP) with a small molecule inhibitor SPAA-2
Descriptor: 2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethane-1-sulfonic acid, Low molecular weight phosphotyrosine protein phosphatase
Authors:Wang, J, Zhang, Z.Y.
Deposit date:2022-05-02
Release date:2022-10-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Based Design of Active-Site-Directed, Highly Potent, Selective, and Orally Bioavailable Low-Molecular-Weight Protein Tyrosine Phosphatase Inhibitors.
J.Med.Chem., 65, 2022
6UIB
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BU of 6uib by Molmil
Crystal structure of IL23 bound to peptide 23-652
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ...
Authors:Durbin, J.D, Wang, J, Afshar, S.
Deposit date:2019-09-30
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Integration of phage and yeast display platforms: A reliable and cost effective approach for binning of peptides as displayed on-phage.
Plos One, 15, 2020
1QMU
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BU of 1qmu by Molmil
Duck carboxypeptidase D domain II
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBOXYPEPTIDASE GP180 RESIDUES 503-882, SULFATE ION, ...
Authors:Gomis-Rueth, F.X, Coll, M, Aviles, F.X, Vendrell, J, Fricker, L.D.
Deposit date:1999-10-06
Release date:2000-10-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Avian Carboxypeptidase D Domain II : A Prototype for the Regulatory Metallocarboxypeptidase Subfamily
Embo J., 18, 1999
7EJU
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BU of 7eju by Molmil
Junin virus(JUNV) RNA polymerase L complexed with Z protein
Descriptor: MAGNESIUM ION, RING finger protein Z, RNA-directed RNA polymerase L, ...
Authors:Chen, Y.
Deposit date:2021-04-02
Release date:2021-07-07
Last modified:2022-01-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for recognition and regulation of arenavirus polymerase L by Z protein.
Nat Commun, 12, 2021
7WXU
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BU of 7wxu by Molmil
GPR110/Gq complex
Descriptor: Adhesion G-protein coupled receptor F1, 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:He, Y, Zhu, X.
Deposit date:2022-02-15
Release date:2022-09-28
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural basis of adhesion GPCR GPR110 activation by stalk peptide and G-proteins coupling.
Nat Commun, 13, 2022
7WY0
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BU of 7wy0 by Molmil
GPR110/G13 complex
Descriptor: Adhesion G-protein coupled receptor F1, Engineered G alpha 13 subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:He, Y, Zhu, X.
Deposit date:2022-02-15
Release date:2022-09-28
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structural basis of adhesion GPCR GPR110 activation by stalk peptide and G-proteins coupling.
Nat Commun, 13, 2022
7WXW
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BU of 7wxw by Molmil
GPR110/Gs complex
Descriptor: Adhesion G-protein coupled receptor F1, Engineered mini Galpha-s subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:He, Y, Zhu, X.
Deposit date:2022-02-15
Release date:2022-09-28
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Structural basis of adhesion GPCR GPR110 activation by stalk peptide and G-proteins coupling.
Nat Commun, 13, 2022
7X2V
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BU of 7x2v by Molmil
GPR110/Gi complex
Descriptor: Adhesion G-protein coupled receptor F1, 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:He, Y, Zhu, X.
Deposit date:2022-02-26
Release date:2022-09-28
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structural basis of adhesion GPCR GPR110 activation by stalk peptide and G-proteins coupling.
Nat Commun, 13, 2022
7WZ7
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BU of 7wz7 by Molmil
GPR110/G12 complex
Descriptor: Adhesion G-protein coupled receptor F1, 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:He, Y, Zhu, X.
Deposit date:2022-02-17
Release date:2022-09-28
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structural basis of adhesion GPCR GPR110 activation by stalk peptide and G-proteins coupling.
Nat Commun, 13, 2022
7EO4
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BU of 7eo4 by Molmil
Cryo-EM of Sphingosine 1-phosphate receptor 1 / Gi complex bound to BAF312
Descriptor: 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-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:He, Y, Xu, Z, Ikuta, T, Inoue, A.
Deposit date:2021-04-21
Release date:2022-01-05
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structural basis of sphingosine-1-phosphate receptor 1 activation and biased agonism.
Nat.Chem.Biol., 18, 2022
7EO2
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BU of 7eo2 by Molmil
Cryo-EM of Sphingosine 1-phosphate receptor 1 / Gi complex bound to FTY720p
Descriptor: (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:He, Y, Xu, Z, Ikuta, T.
Deposit date:2021-04-21
Release date:2022-01-05
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structural basis of sphingosine-1-phosphate receptor 1 activation and biased agonism.
Nat.Chem.Biol., 18, 2022
7YUF
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BU of 7yuf by Molmil
apo human SPNS2
Descriptor: NbFab H-chain, NbFab L-chain, Sphingosine-1-phosphate transporter SPNS2, ...
Authors:He, Y, Duan, Y.
Deposit date:2022-08-17
Release date:2023-09-06
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structural basis of Sphingosine-1-phosphate transport via human SPNS2.
Cell Res., 34, 2024
7YUD
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BU of 7yud by Molmil
FTY720p-bound human SPNS2
Descriptor: (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol, NbFab L-chain, NbFab-H-chain, ...
Authors:He, Y, Duan, Y.
Deposit date:2022-08-17
Release date:2023-09-06
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural basis of Sphingosine-1-phosphate transport via human SPNS2.
Cell Res., 34, 2024
7YUB
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BU of 7yub by Molmil
S1P-bound human SPNS2
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, NbFab-H-chain, NbFab-L-chain, ...
Authors:He, Y, Duan, Y.
Deposit date:2022-08-17
Release date:2023-09-06
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Structural basis of Sphingosine-1-phosphate transport via human SPNS2.
Cell Res., 34, 2024
6IKM
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BU of 6ikm by Molmil
Crystal structure of SpuE-Spermidine in complex with ScFv5
Descriptor: Polyamine transport protein, SPERMIDINE, SULFATE ION, ...
Authors:Wu, D, Sun, X.
Deposit date:2018-10-16
Release date:2019-12-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.398 Å)
Cite:A Potent Anti-SpuE Antibody Allosterically Inhibits Type III Secretion System and Attenuates Virulence of Pseudomonas Aeruginosa.
J.Mol.Biol., 431, 2019
7YDM
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BU of 7ydm by Molmil
Cryo-EM structure of CD97/Gq complex
Descriptor: Adhesion G protein-coupled receptor E5 subunit beta, 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:He, Y, Wang, N.
Deposit date:2022-07-04
Release date:2023-07-12
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structural basis of CD97 activation and G-protein coupling.
Cell Chem Biol, 30, 2023
7YDH
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BU of 7ydh by Molmil
Cryo EM structure of CD97/miniG13 complex
Descriptor: Adhesion G protein-coupled receptor E5 subunit beta, G protein subunit 13 (Gi2-mini-G13 chimera), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:He, Y, Wang, N.
Deposit date:2022-07-04
Release date:2023-07-12
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of CD97 activation and G-protein coupling.
Cell Chem Biol, 30, 2023
7YDP
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BU of 7ydp by Molmil
Cryo-EM structure of CD97/miniGs complex
Descriptor: Adhesion G protein-coupled receptor E5 subunit beta, 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:He, Y, Wang, N.
Deposit date:2022-07-04
Release date:2023-07-12
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of CD97 activation and G-protein coupling.
Cell Chem Biol, 30, 2023
7WF7
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BU of 7wf7 by Molmil
Cryo-EM of Sphingosine 1-phosphate receptor 1 / Gi complex bound to S1P
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 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:He, Y, Xu, Z.
Deposit date:2021-12-26
Release date:2022-01-05
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of sphingosine-1-phosphate receptor 1 activation and biased agonism.
Nat.Chem.Biol., 18, 2022

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