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8TZP
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BU of 8tzp by Molmil
Structure of human Wnt7a bound to WLS and RECK
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, PALMITOLEIC ACID, Protein Wnt-7a, ...
Authors:Qi, X, Hu, Q, Li, X.
Deposit date:2023-08-27
Release date:2023-10-18
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Molecular basis of Wnt biogenesis, secretion, and Wnt7-specific signaling.
Cell, 186, 2023
8TZS
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BU of 8tzs by Molmil
Structure of human WLS
Descriptor: Protein wntless homolog
Authors:Qi, X, Hu, Q, Li, X.
Deposit date:2023-08-27
Release date:2023-10-18
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Molecular basis of Wnt biogenesis, secretion, and Wnt7-specific signaling.
Cell, 186, 2023
8U8J
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BU of 8u8j by Molmil
Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #16
Descriptor: (4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1
Authors:Anderson, J.W, Vigers, G.P.
Deposit date:2023-09-18
Release date:2024-03-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2.
Elife, 12, 2024
8TGH
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BU of 8tgh by Molmil
VMAT1 dimer with amphetamine and reserpine
Descriptor: (2S)-1-phenylpropan-2-amine, Chromaffin granule amine transporter, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8U8K
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BU of 8u8k by Molmil
Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #8
Descriptor: (4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1
Authors:Anderson, J.W, Vigers, G.P.
Deposit date:2023-09-18
Release date:2024-03-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2.
Elife, 12, 2024
8TGJ
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BU of 8tgj by Molmil
VMAT1 dimer in unbound form and with reserpine
Descriptor: VMAT1 dimer in unbound form and with reserpine, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGG
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BU of 8tgg by Molmil
VMAT1 dimer with MPP+ and reserpine
Descriptor: 1-methyl-4-phenylpyridin-1-ium, Chromaffin granule amine transporter, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGI
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BU of 8tgi by Molmil
VMAT1 dimer with dopamine and reserpine
Descriptor: Chromaffin granule amine transporter, L-DOPAMINE, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGL
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BU of 8tgl by Molmil
VMAT1 dimer with norepinephrine and reserpine
Descriptor: Chromaffin granule amine transporter, L-NOREPINEPHRINE, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGM
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BU of 8tgm by Molmil
VMAT1 dimer with reserpine
Descriptor: VMAT1 dimer with reserpine, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGN
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BU of 8tgn by Molmil
VMAT1 dimer with serotonin and reserpine
Descriptor: Chromaffin granule amine transporter, SEROTONIN, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGK
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BU of 8tgk by Molmil
VMAT1 dimer with histamine and reserpine
Descriptor: Chromaffin granule amine transporter, HISTAMINE, reserpine
Authors:Ye, J, Liu, B, Li, W.
Deposit date:2023-07-12
Release date:2024-03-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
4RVK
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BU of 4rvk by Molmil
CHK1 kinase domain with diazacarbazole compound 8: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide
Descriptor: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide, Serine/threonine-protein kinase Chk1
Authors:Wiesmann, C, Wu, P.
Deposit date:2014-11-26
Release date:2015-06-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
4RVL
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BU of 4rvl by Molmil
CHK1 kinase domain with diazacarbazole compound 7: 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
Descriptor: 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1
Authors:Wiesmann, C, Wu, P.
Deposit date:2014-11-26
Release date:2015-06-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
8DIQ
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BU of 8diq by Molmil
Tubulin-RB3_SLD-TTL in complex with SB226
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[2-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2022-06-29
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:SB226, an inhibitor of tubulin polymerization, inhibits paclitaxel-resistant melanoma growth and spontaneous metastasis.
Cancer Lett., 555, 2022
5T0K
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BU of 5t0k by Molmil
Structure of G9a SET-domain with H3K9M mutant peptide and SAM
Descriptor: H3K9 mutant peptide, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
Authors:Xu, K, Tong, L.
Deposit date:2016-08-16
Release date:2016-10-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading.
Elife, 5, 2016
5T0M
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BU of 5t0m by Molmil
A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading
Descriptor: Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, S-ADENOSYLMETHIONINE, ...
Authors:Xu, K, Tong, L.
Deposit date:2016-08-16
Release date:2016-10-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading.
Elife, 5, 2016
8EDE
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BU of 8ede by Molmil
Crystal structure of covalent inhibitor 2-chloro-N'-(N-(4-chlorophenyl)-N-methylglycyl)acetohydrazide bound to Ubiquitin C-terminal Hydrolase-L1
Descriptor: 2-[(4-chlorophenyl)-methyl-amino]-~{N}'-ethanoyl-ethanehydrazide, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase isozyme L1
Authors:Patel, R, Imhoff, R, Flaherty, D, Das, C.
Deposit date:2022-09-04
Release date:2023-09-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Covalent Fragment Screening and Optimization Identifies the Chloroacetohydrazide Scaffold as Inhibitors for Ubiquitin C-terminal Hydrolase L1.
J.Med.Chem., 67, 2024
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:2023-11-15
Method:X-RAY DIFFRACTION (2.349 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
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
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
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
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
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:2023-11-15
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structure guided studies of the interaction between PTP1B and JAK.
Commun Biol, 6, 2023

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PDB entries from 2024-05-15

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