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6JIJ
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BU of 6jij by Molmil
The Crystal Structure of Main Protease from Mouse Hepatitis Virus A59 in Complex with an inhibitor
Descriptor: 02J-ALA-VAL-LEU-PJE-010, Replicative polyprotein 1ab
Authors:Cui, W, Cui, S.S.
Deposit date:2019-02-21
Release date:2019-04-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The crystal structure of main protease from mouse hepatitis virus A59 in complex with an inhibitor.
Biochem. Biophys. Res. Commun., 511, 2019
7E5A
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BU of 7e5a by Molmil
interferon-inducible anti-viral protein R356A
Descriptor: ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, Guanylate-binding protein 5, ...
Authors:Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T.
Deposit date:2021-02-18
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins.
Proc.Natl.Acad.Sci.USA, 118, 2021
7E59
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BU of 7e59 by Molmil
interferon-inducible anti-viral protein truncated
Descriptor: Guanylate-binding protein 5
Authors:Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T.
Deposit date:2021-02-18
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins.
Proc.Natl.Acad.Sci.USA, 118, 2021
7E58
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BU of 7e58 by Molmil
interferon-inducible anti-viral protein 2
Descriptor: Guanylate-binding protein 2
Authors:Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T.
Deposit date:2021-02-18
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CKF
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BU of 7ckf by Molmil
The N-terminus of interferon-inducible antiviral protein-dimer
Descriptor: ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, Guanylate-binding protein 5, ...
Authors:Cui, W, Yang, H.T.
Deposit date:2020-07-16
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.284 Å)
Cite:Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins.
Proc.Natl.Acad.Sci.USA, 118, 2021
3QK9
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BU of 3qk9 by Molmil
Yeast Tim44 C-terminal domain complexed with Cymal-3
Descriptor: CHLORIDE ION, Mitochondrial import inner membrane translocase subunit TIM44
Authors:Cui, W, Josyula, R, Fu, Z, Sha, B.
Deposit date:2011-01-31
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Membrane Binding Mechanism of Yeast Mitochondrial Peripheral Membrane Protein TIM44.
Protein Pept.Lett., 18, 2011
4MD6
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BU of 4md6 by Molmil
Crystal structure of PDE5 in complex with inhibitor 5R
Descriptor: 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ...
Authors:Cui, W, Huang, M, Shao, Y, Luo, H.
Deposit date:2013-08-22
Release date:2014-07-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2H)-one as a phosphodiesterase-5 inhibitor and its complex crystal structure.
Biochem Pharmacol, 89, 2014
7YNJ
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BU of 7ynj by Molmil
Structure of human SGLT2-MAP17 complex bound with substrate AMG in the occluded conformation
Descriptor: PDZK1-interacting protein 1, Sodium/glucose cotransporter 2, methyl alpha-D-glucopyranoside
Authors:Chen, L, Niu, Y, Cui, W.
Deposit date:2022-07-31
Release date:2023-05-31
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Structures of human SGLT in the occluded state reveal conformational changes during sugar transport.
Nat Commun, 14, 2023
7YNI
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BU of 7yni by Molmil
Structure of human SGLT1-MAP17 complex bound with substrate 4D4FDG in the occluded conformation
Descriptor: (2R,3R,4R,5S,6R)-5-fluoranyl-6-(hydroxymethyl)oxane-2,3,4-triol, PDZK1-interacting protein 1, Sodium/glucose cotransporter 1
Authors:Chen, L, Niu, Y, Cui, W.
Deposit date:2022-07-31
Release date:2023-05-31
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structures of human SGLT in the occluded state reveal conformational changes during sugar transport.
Nat Commun, 14, 2023
4QGE
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BU of 4qge by Molmil
phosphodiesterase-9A in complex with inhibitor WYQ-C36D
Descriptor: MAGNESIUM ION, N~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxyphenyl)-D-alaninamide, Phosphodiesterase 9A, ...
Authors:Shao, Y.-X, Huang, M, Cui, W, Ke, H.
Deposit date:2014-05-22
Release date:2014-12-10
Last modified:2015-01-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a Phosphodiesterase 9A Inhibitor as a Potential Hypoglycemic Agent.
J.Med.Chem., 57, 2014
5K02
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BU of 5k02 by Molmil
Structure of human SOD1 with T2D mutation
Descriptor: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Fay, J.M, Zhu, C, Cui, W, Ke, H, Dokholyan, N.V.
Deposit date:2016-05-17
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A Phosphomimetic Mutation Stabilizes SOD1 and Rescues Cell Viability in the Context of an ALS-Associated Mutation.
Structure, 24, 2016
4OJX
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BU of 4ojx by Molmil
crystal structure of yeast phosphodiesterase-1 in complex with GMP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3',5'-cyclic-nucleotide phosphodiesterase 1, GUANOSINE-5'-MONOPHOSPHATE, ...
Authors:Tian, Y, Cui, W, Huang, M, Robinson, H, Wan, Y, Wang, Y, Ke, H.
Deposit date:2014-01-21
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-monophosphate.
Biochemistry, 53, 2014
4OJV
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BU of 4ojv by Molmil
Crystal structure of unliganded yeast PDE1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3',5'-cyclic-nucleotide phosphodiesterase 1, SULFATE ION, ...
Authors:Tian, Y, Cui, W, Huang, M, Robinson, H, Wan, Y, Wang, Y, Ke, H.
Deposit date:2014-01-21
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-monophosphate.
Biochemistry, 53, 2014
7WMV
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BU of 7wmv by Molmil
Structure of human SGLT1-MAP17 complex bound with LX2761
Descriptor: N-[2-(dimethylamino)ethyl]-2-methyl-2-[4-[4-[[2-methyl-5-[(2S,3R,4R,5S,6R)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]phenyl]methyl]phenyl]butanoylamino]propanamide, PDZK1-interacting protein 1, Sodium/glucose cotransporter 1
Authors:Chen, L, Niu, Y, Cui, W.
Deposit date:2022-01-17
Release date:2022-11-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural mechanism of SGLT1 inhibitors.
Nat Commun, 13, 2022
8GZ4
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BU of 8gz4 by Molmil
Crystal structure of MPXV phosphatase
Descriptor: Dual specificity protein phosphatase H1, PHOSPHATE ION
Authors:Yang, H.T, Wang, W, Huang, H.J, Ji, X.Y.
Deposit date:2022-09-25
Release date:2023-05-17
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Crystal structure of monkeypox H1 phosphatase, an antiviral drug target.
Protein Cell, 14, 2023
3QD2
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BU of 3qd2 by Molmil
Crystal structure of mouse PERK kinase domain
Descriptor: Eukaryotic translation initiation factor 2-alpha kinase 3
Authors:Wenjun, C, Jingzhi, L, David, R, Bingdong, S.
Deposit date:2011-01-17
Release date:2011-04-27
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The structure of the PERK kinase domain suggests the mechanism for its activation.
Acta Crystallogr.,Sect.D, 67, 2011
7YNK
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BU of 7ynk by Molmil
Structure of human SGLT2-MAP17 complex in the apo state in the inward-facing conformation
Descriptor: PDZK1-interacting protein 1, Sodium/glucose cotransporter 2
Authors:Chen, L, Niu, Y.
Deposit date:2022-07-31
Release date:2023-05-31
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Structures of human SGLT in the occluded state reveal conformational changes during sugar transport.
Nat Commun, 14, 2023
8H59
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BU of 8h59 by Molmil
A fungal MAP kinase in complex with an inhibitor
Descriptor: Mitogen-activated protein kinase MPS1, ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide
Authors:Kong, Z, Zhang, X, Wang, D, Liu, J.
Deposit date:2022-10-12
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Aided Identification of an Inhibitor Targets Mps1 for the Management of Plant-Pathogenic Fungi.
Mbio, 14, 2023
6X88
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BU of 6x88 by Molmil
PDE6 chicken GAF domain
Descriptor: Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'
Authors:Ke, H.
Deposit date:2020-06-01
Release date:2020-11-04
Method:X-RAY DIFFRACTION (3.1997447 Å)
Cite:Structural Analysis of the Regulatory GAF Domains of cGMP Phosphodiesterase Elucidates the Allosteric Communication Pathway.
J.Mol.Biol., 432, 2020
7ESX
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BU of 7esx by Molmil
Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wPip
Descriptor: Bacteria factor 1
Authors:Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
Deposit date:2021-05-12
Release date:2021-11-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7ESZ
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BU of 7esz by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CinA and CinB with Mn2+ from wPip
Descriptor: BACTERIA FACTOR A, BACTERIA FACTOR B, MANGANESE (II) ION
Authors:Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
Deposit date:2021-05-12
Release date:2021-11-10
Method:X-RAY DIFFRACTION (2.476 Å)
Cite:Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7ET0
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BU of 7et0 by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CinA and CinB from wPip
Descriptor: Bacteria factor A, Bacteria factor B
Authors:Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
Deposit date:2021-05-12
Release date:2021-11-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7ESY
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BU of 7esy by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip
Descriptor: Bacteria factor 1, CALCIUM ION, ULP_PROTEASE domain-containing protein
Authors:Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
Deposit date:2021-05-12
Release date:2021-11-10
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
4Y87
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BU of 4y87 by Molmil
Crystal structure of phosphodiesterase 9 in complex with (R)-C33 (6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one)
Descriptor: 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
Authors:Huang, M.
Deposit date:2015-02-16
Release date:2015-09-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor.
Mol.Pharmacol., 88, 2015
4Y8C
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BU of 4y8c by Molmil
Crystal structure of phosphodiesterase 9 in complex with (S)-C33
Descriptor: 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
Authors:Huang, M.
Deposit date:2015-02-16
Release date:2015-09-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor.
Mol.Pharmacol., 88, 2015

 

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