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2FMX
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BU of 2fmx by Molmil
An open conformation of switch I revealed by Sar1-GDP crystal structure at low Mg(2+)
Descriptor: GTP-binding protein SAR1b, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Rao, Y, Bian, C, Yuan, C, Li, Y, Huang, M.
Deposit date:2006-01-10
Release date:2006-09-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:An open conformation of switch I revealed by Sar1-GDP crystal structure at low Mg(2+)
Biochem.Biophys.Res.Commun., 348, 2006
6O9D
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BU of 6o9d by Molmil
Structure of the IRAK4 kinase domain with compound 5
Descriptor: Interleukin-1 receptor-associated kinase 4, N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
Authors:Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J.
Deposit date:2019-03-13
Release date:2019-05-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
6O8U
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BU of 6o8u by Molmil
Crystal structure of IRAK4 in complex with compound 23
Descriptor: GLYCEROL, Interleukin-1 receptor-associated kinase 4, N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, ...
Authors:Kiefer, J.R, Yu, C, Drobnick, J, Bryan, M.C, Lupardus, P.J.
Deposit date:2019-03-12
Release date:2019-05-22
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
6O95
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BU of 6o95 by Molmil
Structure of the IRAK4 kinase domain with compound 41
Descriptor: Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION
Authors:Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J.
Deposit date:2019-03-13
Release date:2019-05-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
6O94
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BU of 6o94 by Molmil
Structure of the IRAK4 kinase domain with compound 17
Descriptor: CALCIUM ION, Interleukin-1 receptor-associated kinase 4, N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
Authors:Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J.
Deposit date:2019-03-13
Release date:2019-05-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
7RUN
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BU of 7run by Molmil
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrrolo[2,3-d]pyrimidine inhibitor.
Descriptor: 1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one, CHLORIDE ION, Proto-oncogene tyrosine-protein kinase receptor Ret
Authors:Lee, C.C, Spraggon, G.
Deposit date:2021-08-17
Release date:2022-01-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Antitarget Selectivity and Tolerability of Novel Pyrrolo[2,3- d ]pyrimidine RET Inhibitors.
Acs Med.Chem.Lett., 12, 2021
6PWS
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BU of 6pws by Molmil
Crystal structure of the cow C-type carbohydrate-recognition domain of CD23 in the presence of alpha-methyl mannoside
Descriptor: CALCIUM ION, Fc fragment of IgE receptor II, methyl alpha-D-mannopyranoside
Authors:Weis, W.I, Feinberg, H.
Deposit date:2019-07-23
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1 Å)
Cite:CD23 is a glycan-binding receptor in some mammalian species.
J.Biol.Chem., 294, 2019
6PWT
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BU of 6pwt by Molmil
Crystal structure of the cow C-type carbohydrate-recognition domain of CD23 in the presence of GlcNAc2Man3 oligosaccharide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, CALCIUM ION, Fc fragment of IgE receptor II
Authors:Weis, W.I, Feinberg, H.
Deposit date:2019-07-23
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:CD23 is a glycan-binding receptor in some mammalian species.
J.Biol.Chem., 294, 2019
6PWR
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BU of 6pwr by Molmil
Crystal structure of the cow C-type carbohydrate-recognition domain of CD23 in the presence of GlcNAc-beta1-2-Man
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, CALCIUM ION, Fc fragment of IgE receptor II
Authors:Weis, W.I, Feinberg, H.
Deposit date:2019-07-23
Release date:2019-09-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:CD23 is a glycan-binding receptor in some mammalian species.
J.Biol.Chem., 294, 2019
8TUH
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BU of 8tuh by Molmil
HLA B7:02 with RPIIRPATL
Descriptor: 1,2-ETHANEDIOL, ARG-PRO-ILE-ILE-ARG-PRO-ALA-THR-LEU, Beta-2-microglobulin, ...
Authors:Littler, D.R, Rossjohn, J, Chaurasia, P, Petersen, J.
Deposit date:2023-08-16
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.200106 Å)
Cite:Prominent CD8+ T cell responses are directed at novel conserved influenza B virus epitopes across anatomical sites and age groups
To Be Published
8TUB
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BU of 8tub by Molmil
HLA B7:02 with HPNGYKSLSTL
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Littler, D.R, Rossjohn, J, Chaurasia, P, Petersen, J.
Deposit date:2023-08-16
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Prominent CD8+ T cell responses are directed at novel conserved influenza B virus epitopes across anatomical sites and age groups
To Be Published
7WLJ
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BU of 7wlj by Molmil
CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with mibefradil (MIB)
Descriptor: (1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y.
Deposit date:2022-01-13
Release date:2022-05-04
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
7WLL
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BU of 7wll by Molmil
CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with pimozide(PMZ)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one, ...
Authors:He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y.
Deposit date:2022-01-13
Release date:2022-05-04
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
7WLK
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BU of 7wlk by Molmil
CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with Otilonium Bromide(OB)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-[diethyl(methyl)-$l^{4}-azanyl]ethyl 4-[(2-octoxyphenyl)carbonylamino]benzoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y.
Deposit date:2022-01-13
Release date:2022-05-04
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
7WLI
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BU of 7wli by Molmil
CryoEM structure of human low-voltage activated T-type calcium channel CaV3.3 (apo)
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y.
Deposit date:2022-01-13
Release date:2022-05-04
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
8V52
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BU of 8v52 by Molmil
Crystal structure of 2A10 Fab bound to Human TGF-beta3
Descriptor: 2A10 Fab Heavy Chain, 2A10 Fab Light chain, Transforming growth factor beta-3
Authors:Yin, J, Lupardus, P.J.
Deposit date:2023-11-30
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Isoform-selective TGF-beta 3 inhibition for systemic sclerosis.
Med, 5, 2024
8GZ1
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BU of 8gz1 by Molmil
Cryo-EM structure of human NaV1.6/beta1/beta2,apo state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Sodium channel protein type 8 subunit alpha, ...
Authors:Li, Y, Jiang, D.
Deposit date:2022-09-24
Release date:2023-03-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of human Na V 1.6 channel reveals Na + selectivity and pore blockade by 4,9-anhydro-tetrodotoxin.
Nat Commun, 14, 2023
8GZ2
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BU of 8gz2 by Molmil
Cryo-EM structure of human NaV1.6/beta1/beta2-4,9-anhydro-tetrodotoxin
Descriptor: (1R,2S,3S,4R,5R,9S,11S,12S,14R)-7-amino-2,4,12-trihydroxy-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1~3,12~.0~5,11~.0~5,14~]pentadec-7-en-8-ium (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 8 subunit alpha, ...
Authors:Li, Y, Jiang, D.
Deposit date:2022-09-24
Release date:2023-03-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of human Na V 1.6 channel reveals Na + selectivity and pore blockade by 4,9-anhydro-tetrodotoxin.
Nat Commun, 14, 2023
8HKK
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BU of 8hkk by Molmil
ion channel
Descriptor: POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ...
Authors:Jiang, D.H, Zhang, J.T.
Deposit date:2022-11-27
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
8HKM
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BU of 8hkm by Molmil
ion channel
Descriptor: POTASSIUM ION, Potassium channel subfamily T member 1, ZINC ION, ...
Authors:Jiang, D.H, Zhang, J.T.
Deposit date:2022-11-27
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
8HKQ
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BU of 8hkq by Molmil
ion channel
Descriptor: POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ...
Authors:Jiang, D.H, Zhang, J.T.
Deposit date:2022-11-27
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
8HK6
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BU of 8hk6 by Molmil
potassium channel
Descriptor: POTASSIUM ION, Potassium channel subfamily T member 1, ZINC ION
Authors:Jiang, D.H, Zhang, J.T.
Deposit date:2022-11-25
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
8HKF
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BU of 8hkf by Molmil
ion channel
Descriptor: POTASSIUM ION, Potassium channel subfamily T member 1, ZINC ION
Authors:Jiang, D.H, Zhang, Z.T.
Deposit date:2022-11-25
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
8HIR
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BU of 8hir by Molmil
potassium channels
Descriptor: POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ...
Authors:Jiang, D.H, Zhang, J.T.
Deposit date:2022-11-21
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
6VHG
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BU of 6vhg by Molmil
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrazolo[1,5-a]pyrimidine inhibitor
Descriptor: 3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine, ACETATE ION, CHLORIDE ION, ...
Authors:Lee, C.C, Spraggon, G.
Deposit date:2020-01-09
Release date:2020-02-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Efficacy and Tolerability of Pyrazolo[1,5-a]pyrimidine RET Kinase Inhibitors for the Treatment of Lung Adenocarcinoma.
Acs Med.Chem.Lett., 11, 2020

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