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8EXE
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BU of 8exe by Molmil
Crystal structure of human FAM46A-BCCIPa complex at 3.5 angstrom resolution
Descriptor: Isoform 2 of BRCA2 and CDKN1A-interacting protein, Terminal nucleotidyltransferase 5A
Authors:Liu, S, Zhang, X.
Deposit date:2022-10-25
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Inhibition of FAM46/TENT5 activity by BCCIP alpha adopting a unique fold.
Sci Adv, 9, 2023
8EXF
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BU of 8exf by Molmil
Crystal structure of human FAM46A-BCCIPa complex at 3.2 angstrom resolution
Descriptor: BCCIPa, Terminal nucleotidyltransferase 5A
Authors:Liu, S, Zhang, X.
Deposit date:2022-10-25
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Inhibition of FAM46/TENT5 activity by BCCIP alpha adopting a unique fold.
Sci Adv, 9, 2023
8FJZ
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BU of 8fjz by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(3R,5S)-3-Amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
Descriptor: (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:McTigue, M, Johnson, E, Cronin, C.
Deposit date:2022-12-20
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FP3
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BU of 8fp3 by Molmil
PKCeta kinase domain in complex with compound 11
Descriptor: (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Protein kinase C eta type
Authors:Johnson, E.
Deposit date:2023-01-03
Release date:2023-04-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FP1
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BU of 8fp1 by Molmil
PKCeta kinase domain in complex with compound 2
Descriptor: (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Protein kinase C eta type
Authors:Johnson, E.
Deposit date:2023-01-03
Release date:2023-04-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FH4
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BU of 8fh4 by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undec-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
Descriptor: (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION
Authors:McTigue, M, Johnson, E, Cronin, C.
Deposit date:2022-12-13
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.827 Å)
Cite:Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FKO
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BU of 8fko by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(2S,5R)-5-Amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
Descriptor: (3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:McTigue, M, Johnson, E, Cronin, C.
Deposit date:2022-12-21
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8EXI
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BU of 8exi by Molmil
Crystal structure of apo PTP1B D181A/Q262A phosphatase domain
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Tyrosine-protein phosphatase non-receptor type 1
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-10-25
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8EXJ
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BU of 8exj by Molmil
Crystal structure of PTP1B D181A/Q262A phosphatase domain in complex with a JAK1 activation loop phosphopeptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, Tyrosine-protein kinase JAK1 activation loop peptide, ...
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-10-25
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8EXN
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BU of 8exn by Molmil
Crystal structure of PTP1B D181A/Q262A phosphatase domain with TYK2 activation loop phosphopeptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-receptor tyrosine-protein kinase TYK2 activation loop peptide, PHOSPHATE ION, ...
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-10-25
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8F88
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BU of 8f88 by Molmil
Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with monophosphorylated JAK2 activation loop phosphopeptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein kinase JAK2, Tyrosine-protein phosphatase non-receptor type 1
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-11-21
Release date:2023-07-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8EYA
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BU of 8eya by Molmil
Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with a JAK2 activation loop phosphopeptide
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-10-26
Release date:2023-07-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8EXM
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BU of 8exm by Molmil
Crystal structure of PTP1B D181A/Q262A phosphatase domain with a JAK3 activation loop phosphopeptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, Tyrosine-protein kinase JAK3 activation loop peptide, ...
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-10-25
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8EYB
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BU of 8eyb by Molmil
Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with JAK2 activation loop phosphopeptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein kinase JAK2 activation loop phosphopeptide, Tyrosine-protein phosphatase non-receptor type 1
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-10-26
Release date:2023-07-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
8EXK
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BU of 8exk by Molmil
Crystal structure of PTP1B D181A/Q262A phosphatase domain with JAK2 activation loop phosphopeptide
Descriptor: PHOSPHATE ION, Tyrosine-protein kinase JAK2 activation loop peptide, Tyrosine-protein phosphatase non-receptor type 1
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-10-25
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023
9J11
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BU of 9j11 by Molmil
Structure of mEos3.2 in the green fluorescent state
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Green to red photoconvertible GFP-like protein EosFP
Authors:Zheng, S.P, Shi, X.R.
Deposit date:2024-08-03
Release date:2025-04-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for the fast maturation of pcStar, a photoconvertible fluorescent protein.
Acta Crystallogr D Struct Biol, 81, 2025
9J0R
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BU of 9j0r by Molmil
Structure of pcStar in the green fluorescent state
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Green to red photoconvertible GFP-like protein EosFP
Authors:Zheng, S.P, Shi, X.R.
Deposit date:2024-08-02
Release date:2025-04-16
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural basis for the fast maturation of pcStar, a photoconvertible fluorescent protein.
Acta Crystallogr D Struct Biol, 81, 2025
9J0Q
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BU of 9j0q by Molmil
Structure of mEos3.2 in the green fluorescent state
Descriptor: Green to red photoconvertible GFP-like protein EosFP, SULFATE ION
Authors:Zheng, S.P, Shi, X.R.
Deposit date:2024-08-02
Release date:2025-04-16
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structural basis for the fast maturation of pcStar, a photoconvertible fluorescent protein.
Acta Crystallogr D Struct Biol, 81, 2025
5GN8
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BU of 5gn8 by Molmil
Structure of a 48-mer protein nanocage fabricated from its 24-mer analogue by subunit interface redesign
Descriptor: CALCIUM ION, Ferritin heavy chain
Authors:Zhang, S, Zang, J, Zhao, G, Mikami, B.
Deposit date:2016-07-19
Release date:2016-12-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:"Silent" Amino Acid Residues at Key Subunit Interfaces Regulate the Geometry of Protein Nanocages
ACS Nano, 10, 2016
9IVP
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BU of 9ivp by Molmil
24-mer DARPin-apoferritin scaffold in complex with the maltose binding protein
Descriptor: DARPin,Ferritin heavy chain, N-terminally processed, Maltodextrin-binding protein
Authors:Lu, X, Yan, M, Zhang, H.M, Hao, Q.
Deposit date:2024-07-24
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A large, general and modular DARPin-apoferritin scaffold enables the visualization of small proteins by cryo-EM.
Iucrj, 12, 2025
9BFK
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BU of 9bfk by Molmil
Cryo-EM structure of human CHT1 in the ML352 bound state
Descriptor: 4-methoxy-3-[(1-methylpiperidin-4-yl)oxy]-N-{[3-(propan-2-yl)-1,2-oxazol-5-yl]methyl}benzamide, High affinity choline transporter 1
Authors:Xue, J, Jiang, Y.
Deposit date:2024-04-18
Release date:2024-11-06
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural mechanisms of human sodium-coupled high-affinity choline transporter CHT1.
Cell Discov, 10, 2024
9BFJ
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BU of 9bfj by Molmil
Cryo-EM structure of human CHT1 in the choline bound state
Descriptor: CHLORIDE ION, CHOLINE ION, High affinity choline transporter 1, ...
Authors:Xue, J, Jiang, Y.
Deposit date:2024-04-17
Release date:2024-11-06
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:Structural mechanisms of human sodium-coupled high-affinity choline transporter CHT1.
Cell Discov, 10, 2024
9BFI
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BU of 9bfi by Molmil
Cryo-EM structure of human CHT1 in the apo inward-open state
Descriptor: High affinity choline transporter 1
Authors:Xue, J, Jiang, Y.
Deposit date:2024-04-17
Release date:2024-11-06
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Structural mechanisms of human sodium-coupled high-affinity choline transporter CHT1.
Cell Discov, 10, 2024
9BIM
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BU of 9bim by Molmil
Cryo-EM structure of human CHT1 in the HC-3 bound outward-facing state
Descriptor: (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium), High affinity choline transporter 1
Authors:Xue, J, Jiang, Y.
Deposit date:2024-04-23
Release date:2024-11-06
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structural mechanisms of human sodium-coupled high-affinity choline transporter CHT1.
Cell Discov, 10, 2024
3PS6
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BU of 3ps6 by Molmil
Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Descriptor: 4-amino-N-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R, Greasley, S.E, Rogers, C.M.-L.
Deposit date:2010-11-30
Release date:2011-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011

238582

数据于2025-07-09公开中

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