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4TOR
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BU of 4tor by Molmil
Crystal structure of Tankyrase 1 with IWR-8
Descriptor: 1-[(1-acetyl-5-bromo-1H-indol-6-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide, CHLORIDE ION, Tankyrase-1, ...
Authors:Chen, H, Zhang, X, Lum, L, Chen, C.
Deposit date:2014-06-06
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Disruption of Wnt/ beta-Catenin Signaling and Telomeric Shortening Are Inextricable Consequences of Tankyrase Inhibition in Human Cells.
Mol.Cell.Biol., 35, 2015
3CH6
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BU of 3ch6 by Molmil
Crystal Structure of 11beta-HSD1 Double Mutant (L262R, F278E) Complexed with (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
Descriptor: (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sheriff, S.
Deposit date:2008-03-07
Release date:2008-06-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Pyridine amides as potent and selective inhibitors of 11beta-hydroxysteroid dehydrogenase type 1
Bioorg.Med.Chem.Lett., 18, 2008
6NUD
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BU of 6nud by Molmil
Small conformation of ssRNA-bound CRISPR_Csm complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CRISPR system Cms protein Csm2, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), ...
Authors:Zhang, K, Pintilie, G, Li, S, Zhu, Y, Chiu, W, Huang, Z.
Deposit date:2019-01-31
Release date:2019-03-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Coupling of ssRNA cleavage with DNase activity in type III-A CRISPR-Csm revealed by cryo-EM and biochemistry.
Cell Res., 29, 2019
6NUE
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BU of 6nue by Molmil
Small conformation of apo CRISPR_Csm complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CRISPR system Cms protein Csm2, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), ...
Authors:Zhang, K, Pintilie, G, Li, S, Zhu, Y, Chiu, W, Huang, Z.
Deposit date:2019-01-31
Release date:2019-03-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Coupling of ssRNA cleavage with DNase activity in type III-A CRISPR-Csm revealed by cryo-EM and biochemistry.
Cell Res., 29, 2019
6X27
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BU of 6x27 by Molmil
Lon protease proteolytic domain complexed with bortezomib
Descriptor: GLYCEROL, Lon protease homolog, mitochondrial, ...
Authors:Lee, C.C, Spraggon, G.
Deposit date:2020-05-20
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
7YUF
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BU of 7yuf by Molmil
apo human SPNS2
Descriptor: NbFab H-chain, NbFab L-chain, Sphingosine-1-phosphate transporter SPNS2, ...
Authors:He, Y, Duan, Y.
Deposit date:2022-08-17
Release date:2023-09-06
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structural basis of Sphingosine-1-phosphate transport via human SPNS2.
Cell Res., 34, 2024
7YUD
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BU of 7yud by Molmil
FTY720p-bound human SPNS2
Descriptor: (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol, NbFab L-chain, NbFab-H-chain, ...
Authors:He, Y, Duan, Y.
Deposit date:2022-08-17
Release date:2023-09-06
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural basis of Sphingosine-1-phosphate transport via human SPNS2.
Cell Res., 34, 2024
6AEJ
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BU of 6aej by Molmil
Crystal structure of human FTO in complex with small-molecule inhibitors
Descriptor: (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION
Authors:Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N.
Deposit date:2018-08-05
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
4TOS
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BU of 4tos by Molmil
Crystal structure of Tankyrase 1 with 355
Descriptor: Tankyrase-1, ZINC ION, trans-N-benzyl-4-({1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)cyclohexanecarboxamide
Authors:Chen, H, Zhang, X, Lum, l, Chen, C.
Deposit date:2014-06-06
Release date:2015-05-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Disruption of Wnt/ beta-Catenin Signaling and Telomeric Shortening Are Inextricable Consequences of Tankyrase Inhibition in Human Cells.
Mol.Cell.Biol., 35, 2015
6AK4
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BU of 6ak4 by Molmil
Crystal structure of human FTO in complex with small-molecule inhibitors
Descriptor: (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION
Authors:Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N.
Deposit date:2018-08-30
Release date:2019-07-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
3QK5
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BU of 3qk5 by Molmil
Crystal structure of fatty acid amide hydrolase with small molecule inhibitor
Descriptor: (3-{(3R)-1-[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]piperidin-3-yl}-2-methyl-1H-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile, 1,2-ETHANEDIOL, Fatty-acid amide hydrolase 1, ...
Authors:Min, X, Walker, N.P.C, Wang, Z.
Deposit date:2011-01-31
Release date:2011-04-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of potent, noncovalent fatty acid amide hydrolase (FAAH) inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3QKV
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BU of 3qkv by Molmil
Crystal structure of fatty acid amide hydrolase with small molecule compound
Descriptor: (6-bromo-1'H,4H-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol, Fatty-acid amide hydrolase 1
Authors:Min, X, Walker, N.P.C, Wang, Z.
Deposit date:2011-02-01
Release date:2011-04-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH).
Proc.Natl.Acad.Sci.USA, 108, 2011
3QJ9
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BU of 3qj9 by Molmil
Crystal structure of fatty acid amide hydrolase with small molecule inhibitor
Descriptor: 1,2-ETHANEDIOL, 1-{(3S)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl}-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one, Fatty-acid amide hydrolase 1, ...
Authors:Min, X, Walker, N.P.C, Wang, Z.
Deposit date:2011-01-28
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH).
Proc.Natl.Acad.Sci.USA, 108, 2011
3QJ8
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BU of 3qj8 by Molmil
Crystal structure of fatty acid amide hydrolase
Descriptor: Fatty-acid amide hydrolase 1
Authors:Min, X, Walker, N.P.C, Wang, Z.
Deposit date:2011-01-28
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH).
Proc.Natl.Acad.Sci.USA, 108, 2011
5DNM
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BU of 5dnm by Molmil
Nucleosome core particle containing adducts of ruthenium(II)-toluene PTA complex
Descriptor: DNA (145-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Adhireksan, Z, Muhammad, R, Davey, C.A.
Deposit date:2015-09-10
Release date:2016-09-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Allosteric cross-talk in chromatin can mediate drug-drug synergy
Nat Commun, 8, 2017
5YS3
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BU of 5ys3 by Molmil
1.8 angstrom crystal structure of Succinate-Acetate Permease from Citrobacter koseri
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ACETATE ION, PALMITIC ACID, ...
Authors:Qiu, B, Liao, J.
Deposit date:2017-11-13
Release date:2018-04-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.823 Å)
Cite:Succinate-acetate permease from Citrobacter koseri is an anion channel that unidirectionally translocates acetate
Cell Res., 28, 2018
4OA7
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BU of 4oa7 by Molmil
Crystal structure of Tankyrase1 in complex with IWR1
Descriptor: 4-[(3aR,4R,7S,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-1, ZINC ION
Authors:Zhang, X, He, H.
Deposit date:2014-01-03
Release date:2015-01-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Disruption of Wnt/ beta-Catenin Signaling and Telomeric Shortening Are Inextricable Consequences of Tankyrase Inhibition in Human Cells.
Mol.Cell.Biol., 35, 2015
7EP0
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BU of 7ep0 by Molmil
Crystal structure of ZYG11B bound to GSTE degron
Descriptor: Protein zyg-11 homolog B, sodium 3,3'-(1E,1'E)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate)
Authors:Yan, X, Li, Y.
Deposit date:2021-04-26
Release date:2021-07-14
Last modified:2021-09-01
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 .
Mol.Cell, 81, 2021
7EP3
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BU of 7ep3 by Molmil
Crystal structure of ZER1 bound to GAGN degron
Descriptor: Protein zer-1 homolog
Authors:Yan, X, Li, Y.
Deposit date:2021-04-26
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.513 Å)
Cite:Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 .
Mol.Cell, 81, 2021
7EP2
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BU of 7ep2 by Molmil
Crystal structure of ZYG11B bound to GGFN degron
Descriptor: Protein zyg-11 homolog B
Authors:Yan, X, Li, Y.
Deposit date:2021-04-26
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 .
Mol.Cell, 81, 2021
7EP5
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BU of 7ep5 by Molmil
Crystal structure of ZER1 bound to GKLH degron
Descriptor: Protein zer-1 homolog
Authors:Yan, X, Li, Y.
Deposit date:2021-04-26
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 .
Mol.Cell, 81, 2021
7EP1
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BU of 7ep1 by Molmil
Crystal structure of ZYG11B bound to GFLH degron
Descriptor: Protein zyg-11 homolog B
Authors:Yan, X, Li, Y.
Deposit date:2021-04-26
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 .
Mol.Cell, 81, 2021
7EP4
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BU of 7ep4 by Molmil
Crystal structure of ZER1 bound to GFLH degron
Descriptor: Protein zer-1 homolog
Authors:Yan, X, Li, Y.
Deposit date:2021-04-26
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 .
Mol.Cell, 81, 2021
5WDE
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BU of 5wde by Molmil
Crystal structure of the KIFC3 motor domain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC3, MAGNESIUM ION, ...
Authors:Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2017-07-05
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
8KAE
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BU of 8kae by Molmil
16d-bound human SPNS2
Descriptor: 3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine, NbFab chain L, NbFab-H chain, ...
Authors:He, Y, Duan, Y.
Deposit date:2023-08-03
Release date:2024-01-03
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural basis of Sphingosine-1-phosphate transport via human SPNS2.
Cell Res., 34, 2024

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PDB entries from 2024-09-18

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