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3MQE
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BU of 3mqe by Molmil
Structure of SC-75416 bound at the COX-2 active site
Descriptor: (2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, J.L, Limburg, D, Graneto, M.J, Springer, J, Rogier, J, Kiefer, J.R.
Deposit date:2010-04-28
Release date:2010-10-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
3NTG
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BU of 3ntg by Molmil
Crystal structure of COX-2 with selective compound 23d-(R)
Descriptor: (2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, J.L, Limburg, D, Graneto, M.J, Carter, J.C, Talley, J.J, Kiefer, J.R.
Deposit date:2010-07-04
Release date:2010-10-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
8HQN
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BU of 8hqn by Molmil
Activation mechanism of GPR132 by 9(S)-HODE
Descriptor: (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic 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:Wang, J.L, Ding, J.H, Sun, J.P, Yu, X.
Deposit date:2022-12-13
Release date:2023-10-11
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
8HQE
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BU of 8hqe by Molmil
Cryo-EM structure of the apo-GPR132-Gi
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:Wang, J.L, Ding, J.H, Sun, J.P, Yu, X.
Deposit date:2022-12-13
Release date:2023-10-11
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
8HQM
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BU of 8hqm by Molmil
Activation mechanism of GPR132 by NPGLY
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:Wang, J.L, Ding, J.H, Sun, J.P, Yu, X.
Deposit date:2022-12-13
Release date:2023-10-11
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
8HVI
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BU of 8hvi by Molmil
Activation mechanism of GPR132 by compound NOX-6-7
Descriptor: 3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-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:Wang, J.L, Ding, J.H, Sun, J.P, Yu, X.
Deposit date:2022-12-26
Release date:2023-10-11
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
5ZAP
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BU of 5zap by Molmil
Atomic structure of the herpes simplex virus type 2 B-capsid
Descriptor: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
Authors:Yuan, S, Wang, J.L, Zhu, D.J, Wang, N, Gao, Q, Chen, W.Y, Tang, H, Wang, J.Z, Zhang, X.Z, Liu, H.R, Rao, Z.H, Wang, X.X.
Deposit date:2018-02-08
Release date:2018-04-18
Last modified:2018-09-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of a herpesvirus capsid at 3.1 angstrom.
Science, 360, 2018
3LN0
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BU of 3ln0 by Molmil
Structure of compound 5c-S bound at the active site of COX-2
Descriptor: (2S)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kiefer, J.R, Kurumbail, R.G, Stallings, W.C, Pawlitz, J.L.
Deposit date:2010-02-01
Release date:2010-10-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
3LN1
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BU of 3ln1 by Molmil
Structure of celecoxib bound at the COX-2 active site
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, ...
Authors:Kiefer, J.R, Kurumbail, R.G, Stallings, W.C, Pawlitz, J.L.
Deposit date:2010-02-01
Release date:2010-10-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
5ZZ8
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BU of 5zz8 by Molmil
Structure of the Herpes simplex virus type 2 C-capsid with capsid-vertex-specific component
Descriptor: Major capsid protein, UL17, UL25, ...
Authors:Wang, J.L, Yuan, S, Zhu, D.J, Tang, H, Wang, N, Chen, W.Y, Gao, Q, Li, Y.H, Wang, J.Z, Liu, H.R, Zhang, X.Z, Rao, Z.H, Wang, X.X.
Deposit date:2018-05-31
Release date:2018-10-10
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Structure of the herpes simplex virus type 2 C-capsid with capsid-vertex-specific component.
Nat Commun, 9, 2018
7EMY
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BU of 7emy by Molmil
Pyochelin synthetase, a dimeric nonribosomal peptide synthetase elongation module
Descriptor: 2-HYDROXYBENZOIC ACID, 4'-PHOSPHOPANTETHEINE, ADENOSINE MONOPHOSPHATE, ...
Authors:Wang, J.L, Wang, Z.J.
Deposit date:2021-04-15
Release date:2021-12-22
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Catalytic trajectory of a dimeric nonribosomal peptide synthetase subunit with an inserted epimerase domain.
Nat Commun, 13, 2022
7EN1
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BU of 7en1 by Molmil
Pyochelin synthetase, a dimeric nonribosomal peptide synthetase elongation module-after-condensation
Descriptor: (4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid, 2-HYDROXYBENZOIC ACID, 4'-PHOSPHOPANTETHEINE, ...
Authors:Wang, J.L, Wang, Z.J.
Deposit date:2021-04-15
Release date:2021-12-22
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Catalytic trajectory of a dimeric nonribosomal peptide synthetase subunit with an inserted epimerase domain.
Nat Commun, 13, 2022
7EN2
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BU of 7en2 by Molmil
Pyochelin synthetase, a dimeric nonribosomal peptide synthetase elongation module-after-condensation, condensation
Descriptor: 4'-PHOSPHOPANTETHEINE, ADENOSINE MONOPHOSPHATE, Dihydroaeruginoic acid synthetase
Authors:Wang, J.L, Wang, Z.J.
Deposit date:2021-04-15
Release date:2021-12-22
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Catalytic trajectory of a dimeric nonribosomal peptide synthetase subunit with an inserted epimerase domain.
Nat Commun, 13, 2022
2CNA
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BU of 2cna by Molmil
THE COVALENT AND THREE-DIMENSIONAL STRUCTURE OF CONCANAVALIN A, IV.ATOMIC COORDINATES,HYDROGEN BONDING,AND QUATERNARY STRUCTURE
Descriptor: CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION
Authors:Reekejunior, G.N, Becker, J.W, Edelman, G.M.
Deposit date:1975-04-01
Release date:1977-03-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:The covalent and three-dimensional structure of concanavalin A. IV. Atomic coordinates, hydrogen bonding, and quaternary structure.
J.Biol.Chem., 250, 1975
8GCM
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BU of 8gcm by Molmil
Cryo-EM Structure of the Prostaglandin E Receptor EP4 Coupled to G Protein
Descriptor: (5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one, 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:Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J.
Deposit date:2023-03-02
Release date:2024-01-03
Last modified:2024-01-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GCP
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BU of 8gcp by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
Descriptor: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J.
Deposit date:2023-03-02
Release date:2024-01-03
Last modified:2024-01-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GDC
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BU of 8gdc by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 3 Coupled to G Protein
Descriptor: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Shenming, H, Mengyao, X, Lei, L, Yang, D, Shiyi, G, Jinpeng, S.
Deposit date:2023-03-03
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GDB
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BU of 8gdb by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
Descriptor: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Shenming, H, Mengyao, X, Lei, L, Jianqiang, M, Jinpeng, S.
Deposit date:2023-03-03
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GDA
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BU of 8gda by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
Descriptor: (2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Shenming, H, Mengyao, X, Lei, L, Jiangqian, M, Sheng, C, Jinpeng, S.
Deposit date:2023-03-03
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GD9
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BU of 8gd9 by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
Descriptor: 4-({2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]butyl}cyclopentyl]ethyl}sulfanyl)butanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Shenming, H, Mengyao, X, Lei, L, Yang, D, Sheng, C, Jinpeng, S.
Deposit date:2023-03-03
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
2B7Y
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BU of 2b7y by Molmil
Fava Bean Lectin-Glucose Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Favin alpha chain, ...
Authors:Reeke Jr, G.N, Becker, J.W.
Deposit date:2005-10-05
Release date:2005-10-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Three-dimensional structure of favin: saccharide binding-cyclic permutation in leguminous lectins
Science, 234, 1986

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