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6ITW
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CRYSTAL STRUCTURE OF ATU4351 FROM AGROBACTERIUM TUMEFACIENS
Descriptor:Type VI immunity protein Atu4351
Authors:Shi, L., Gao, Z., Zhang, H., Dong, Y.
Deposit date:2018-11-26
Release date:2019-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the type VI immunity protein Tdi1 (Atu4351) from Agrobacterium tumefaciens.
Acta Crystallogr F Struct Biol Commun, 75, 2019
6IRH
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STRUCTURE OF THE HUMAN GLUN1/GLUN2A NMDA RECEPTOR IN THE GLUTAMATE/GLYCINE-BOUND STATE AT PH 6.3, CLASS III
Descriptor:Glutamate receptor ionotropic, NMDA 1, NMDA 2A
Authors:Zhang, J., Chang, S., Zhang, X., Zhu, S.
Deposit date:2018-11-12
Release date:2019-01-16
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
6IRG
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STRUCTURE OF THE HUMAN GLUN1/GLUN2A NMDA RECEPTOR IN THE GLUTAMATE/GLYCINE-BOUND STATE AT PH 6.3, CLASS II
Descriptor:Glutamate receptor ionotropic, NMDA 1, NMDA 2A
Authors:Zhang, J., Chang, S., Zhang, X., Zhu, S.
Deposit date:2018-11-12
Release date:2019-01-16
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
6IRF
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STRUCTURE OF THE HUMAN GLUN1/GLUN2A NMDA RECEPTOR IN THE GLUTAMATE/GLYCINE-BOUND STATE AT PH 6.3, CLASS I
Descriptor:Glutamate receptor ionotropic, NMDA 1, NMDA 2A
Authors:Zhang, J., Chang, S., Zhang, X., Zhu, S.
Deposit date:2018-11-12
Release date:2019-01-16
Method:ELECTRON MICROSCOPY (5.1 Å)
Cite:Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
6IRA
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STRUCTURE OF THE HUMAN GLUN1/GLUN2A NMDA RECEPTOR IN THE GLUTAMATE/GLYCINE-BOUND STATE AT PH 7.8
Descriptor:Glutamate receptor ionotropic, NMDA 2A, NMDA 1
Authors:Zhang, J., Chang, S., Zhang, X., Zhu, S.
Deposit date:2018-11-12
Release date:2019-01-16
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
6FOC
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F1-ATPASE FROM MYCOBACTERIUM SMEGMATIS
Descriptor:ATP synthase subunit alpha,ATP synthase subunit alpha,ATP synthase subunit alpha, ATP synthase subunit beta, ATP synthase gamma chain, ...
Authors:Zhang, T., Montgomery, M.G., Leslie, A.G.W., Cook, G.M., Walker, J.E.
Deposit date:2018-02-06
Release date:2019-01-23
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (4 Å)
Cite:The structure of the catalytic domain of the ATP synthase fromMycobacterium smegmatisis a target for developing antitubercular drugs.
Proc. Natl. Acad. Sci. U.S.A., 2019
6EJ4
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DYRK1A IN COMPLEX WITH XMD7-112
Descriptor:Dual specificity tyrosine-phosphorylation-regulated kinase 1A, 3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline
Authors:Rothweiler, U.
Deposit date:2017-09-20
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIV
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DYRK1A IN COMPLEX WITH JWD-065
Descriptor:Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIS
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DYRK1A IN COMPLEX WITH JWC-055
Descriptor:Dual specificity tyrosine-phosphorylation-regulated kinase 1A, 1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{H}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIR
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DYRK1A IN COMPLEX WITH XMD15-27-2
Descriptor:Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[4-[[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIQ
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DYRK1A IN COMPLEX WITH XMD14-124
Descriptor:Dual specificity tyrosine-phosphorylation-regulated kinase 1A, [4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-phenyl-methanone
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIP
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DYRK1A IN COMPLEX WITH XMD8-62E
Descriptor:Dual specificity tyrosine-phosphorylation-regulated kinase 1A, 4-[[(3~{R},7~{S})-2-cyclopentyl-9-methyl-8-oxidanylidene-2,9,12,14-tetrazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),10,12-trien-13-yl]amino]benzamide
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIL
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DYRK1A IN COMPLEX WITH XMD8-49
Descriptor:DYRK1A, [3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.465 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIJ
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DYRK1A IN COMPLEX WITH HG-8-60-1
Descriptor:Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIF
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DYRK1A IN COMPLEX WITH XMD7-117
Descriptor:Dual specificity tyrosine-phosphorylation-regulated kinase 1A, 4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6BOY
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CRYSTAL STRUCTURE OF DDB1-CRBN-BRD4(BD1) COMPLEX BOUND TO DBET6 PROTAC.
Descriptor:DNA damage-binding protein 1, Protein cereblon, Bromodomain-containing protein 4, ...
Authors:Nowak, R.P., DeAngelo, S.L., Buckley, D., Bradner, J.E., Fischer, E.S.
Deposit date:2017-11-21
Release date:2018-05-30
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
6BNB
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CRYSTAL STRUCTURE OF DDB1-CRBN-BRD4(BD1) COMPLEX BOUND TO DBET57 PROTAC
Descriptor:DNA damage-binding protein 1, Protein cereblon, Bromodomain-containing protein 4, ...
Authors:Nowak, R.P., DeAngelo, S.L., Buckley, D., Ishoey, M., He, Z., Zhang, T., Bradner, J.E., Fischer, E.S.
Deposit date:2017-11-16
Release date:2018-05-30
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (6.343 Å)
Cite:Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
6BN9
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CRYSTAL STRUCTURE OF DDB1-CRBN-BRD4(BD1) COMPLEX BOUND TO DBET70 PROTAC
Descriptor:DNA damage-binding protein 1,DNA damage-binding protein 1, Protein cereblon, Bromodomain-containing protein 4, ...
Authors:Nowak, R.P., DeAngelo, S.L., Buckley, D., Bradner, J.E., Fischer, E.S.
Deposit date:2017-11-16
Release date:2018-05-30
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (4.382 Å)
Cite:Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
6BN8
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CRYSTAL STRUCTURE OF DDB1-CRBN-BRD4(BD1) COMPLEX BOUND TO DBET55 PROTAC.
Descriptor:DNA damage-binding protein 1,DNA damage-binding protein 1, Protein cereblon, Bromodomain-containing protein 4, ...
Authors:Nowak, R.P., DeAngelo, S.L., Buckley, D., Bradner, J.E., Fischer, E.S.
Deposit date:2017-11-16
Release date:2018-06-06
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (3.990035 Å)
Cite:Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
6BN7
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CRYSTAL STRUCTURE OF DDB1-CRBN-BRD4(BD1) COMPLEX BOUND TO DBET23 PROTAC.
Descriptor:DNA damage-binding protein 1, Protein cereblon, Bromodomain-containing protein 4, ...
Authors:Nowak, R.P., DeAngelo, S.L., Buckley, D., Bradner, J.E., Fischer, E.S.
Deposit date:2017-11-16
Release date:2018-05-30
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (3.501 Å)
Cite:Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
6ACB
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CRYSTAL STRUCTURE OF PDE5 IN COMPLEX WITH INHIBITOR LW1805
Descriptor:cGMP-specific 3',5'-cyclic phosphodiesterase, SULFATE ION, ZINC ION, ...
Authors:Wu, D., Huang, Y.D., Huang, Y.Y., Luo, H.B.
Deposit date:2018-07-26
Release date:2018-09-19
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
J. Med. Chem., 61, 2018
6A3N
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CRYSTAL STRUCTURE OF THE PDE9 CATALYTIC DOMAIN IN COMPLEX WITH INHIBITOR 2
Descriptor:High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ZINC ION, MAGNESIUM ION, ...
Authors:Wu, Y.N., Zhou, Q., Chen, Y.P., Luo, H.B.
Deposit date:2018-06-15
Release date:2019-04-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of potent, selective, and orally bioavailable inhibitors against phosphodiesterase-9, a novel target for the treatment of vascular dementia.
J. Med. Chem., 2019
5ZZ2
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CRYSTAL STRUCTURE OF PDE5 IN COMPLEX WITH INHIBITOR LW1634
Descriptor:cGMP-specific 3',5'-cyclic phosphodiesterase, ZINC ION, MAGNESIUM ION, ...
Authors:Wu, D., Huang, Y.D., Huang, Y.Y., Luo, H.B.
Deposit date:2018-05-29
Release date:2018-09-19
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
J. Med. Chem., 61, 2018
5ZVB
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APOBEC3F CHIMERIC CATALYTIC DOMAIN IN COMPLEX WITH DNA(DT9)
Descriptor:APEBEC3F/ssDNA-T9, DNA (5'-D(*AP*TP*TP*TP*TP*CP*AP*AP*T)-3'), ZINC ION, ...
Authors:Cheng, C., Zhang, T.L., Wang, C.X., Lan, W.X., Ding, J.P., Cao, C.Y.
Deposit date:2018-05-09
Release date:2018-11-21
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Cytidine Deaminase Human APOBEC3F Chimeric Catalytic Domain in Complex with DNA
Chin.J.Chem., 36, 2018
5ZVA
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APOBEC3F CHIMERIC CATALYTIC DOMAIN IN COMPLEX WITH DNA(DC9)
Descriptor:APEBEC3F/ssDNA-C9, DNA (5'-D(*AP*TP*TP*TP*TP*CP*AP*AP*CP*T)-3'), ZINC ION, ...
Authors:Cheng, C., Zhang, T.L., Wang, C.X., Lan, W.X., Ding, J.P., Cao, C.Y.
Deposit date:2018-05-09
Release date:2018-11-21
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Cytidine Deaminase Human APOBEC3F Chimeric Catalytic Domain in Complex with DNA
Chin.J.Chem., 36, 2018