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5IZ9
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BU of 5iz9 by Molmil
Protein-protein interaction
Descriptor: ACE-GLY-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein
Authors:Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
Deposit date:2016-03-25
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5IZ6
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BU of 5iz6 by Molmil
Protein-protein interaction
Descriptor: Adenomatous polyposis coli protein, DI(HYDROXYETHYL)ETHER, PHQ-ALA-GLY-GLU-ALA-LEU-TYR-GLU-NH2, ...
Authors:Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
Deposit date:2016-03-25
Release date:2017-07-05
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5B6G
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BU of 5b6g by Molmil
Protein-protein interaction
Descriptor: Adenomatous polyposis coli protein, GLYCEROL, PHQ-ALA-GLY-GLU-ALA-XYC-TYR-GLU, ...
Authors:Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
Deposit date:2016-05-27
Release date:2017-05-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
8GSJ
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BU of 8gsj by Molmil
APC-Asef tripeptide inhibitor
Descriptor: (1R,2S)-2-phenylcyclopropanamine, 2-methylsulfanylpyrimidine-4-carbaldehyde, Adenomatous polyposis coli protein, ...
Authors:Zhang, J, Wang, X.F, Song, K.
Deposit date:2022-09-06
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:APC-Asef tripeptide inhibitor
To Be Published
5HID
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BU of 5hid by Molmil
BRAF Kinase domain b3aC loop deletion mutant in complex with AZ628
Descriptor: 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase B-raf
Authors:Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S.
Deposit date:2016-01-11
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
5HI2
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BU of 5hi2 by Molmil
BRAF Kinase domain b3aC loop deletion mutant in complex with sorafenib
Descriptor: 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Serine/threonine-protein kinase B-raf
Authors:Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S.
Deposit date:2016-01-11
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.512 Å)
Cite:Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
5HIE
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BU of 5hie by Molmil
BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib
Descriptor: Dabrafenib, Serine/threonine-protein kinase B-raf
Authors:Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S.
Deposit date:2016-01-11
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
5Y2F
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BU of 5y2f by Molmil
Human SIRT6 in complex with allosteric activator MDL-801
Descriptor: 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, 9-mer peptide QTARKSTGG, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhang, J, Huang, Z, Song, K.
Deposit date:2017-07-25
Release date:2018-11-07
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Identification of a cellularly active SIRT6 allosteric activator.
Nat. Chem. Biol., 14, 2018
5Z8H
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BU of 5z8h by Molmil
APC with an inhibitor
Descriptor: Adenomatous polyposis coli protein, GLYCEROL, Peptide inhibitor
Authors:Zhang, J, Yang, X.Y, Song, K.
Deposit date:2018-01-31
Release date:2019-02-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:APC with an inhibitor
To Be Published
2JLN
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BU of 2jln by Molmil
Structure of Mhp1, a nucleobase-cation-symport-1 family transporter
Descriptor: MERCURY (II) ION, MHP1, SODIUM ION
Authors:Weyand, S, Shimamura, T, Yajima, S, Suzuki, S, Mirza, O, Krusong, K, Carpenter, E.P, Rutherford, N.G, Hadden, J.M, O'Reilly, J, Ma, P, Saidijam, M, Patching, S.G, Hope, R.J, Norbertczak, H.T, Roach, P.C.J, Iwata, S, Henderson, P.J.F, Cameron, A.D.
Deposit date:2008-09-11
Release date:2008-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure and Molecular Mechanism of a Nucleobase-Cation-Symport-1 Family Transporter.
Science, 322, 2008
4AD1
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BU of 4ad1 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens
Descriptor: GLYCOSYL HYDROLASE FAMILY 71
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AD5
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BU of 4ad5 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with glucose-1,3-deoxymannojirimycin and alpha-1,2-mannobiose
Descriptor: 1-DEOXYMANNOJIRIMYCIN, GLYCOSYL HYDROLASE FAMILY 71, alpha-D-glucopyranose, ...
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4ACZ
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BU of 4acz by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides thetaiotaomicron
Descriptor: ENDO-ALPHA-MANNOSIDASE, GLYCEROL
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AD2
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BU of 4ad2 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with glucose-1,3-isofagomine
Descriptor: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCOSYL HYDROLASE FAMILY 71, alpha-D-glucopyranose
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AD3
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BU of 4ad3 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with Glucose-1,3-deoxymannojirimycin
Descriptor: 1-DEOXYMANNOJIRIMYCIN, GLYCOSYL HYDROLASE FAMILY 71, alpha-D-glucopyranose
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AD0
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BU of 4ad0 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteriodes thetaiotaomicron in complex with BIS-TRIS-Propane
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ENDO-ALPHA-MANNOSIDASE, GLYCEROL
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AD4
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BU of 4ad4 by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with glucose-1,3-isofagomine and alpha-1,2- mannobiose
Descriptor: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCOSYL HYDROLASE FAMILY 71, alpha-D-glucopyranose, ...
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4ACY
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BU of 4acy by Molmil
Selenomethionine derivative of the GH99 endo-alpha-mannosidase from Bacteroides thetaiotaomicron
Descriptor: ENDO-ALPHA-MANNOSIDASE, FORMIC ACID, GLYCEROL
Authors:Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
Deposit date:2011-12-21
Release date:2012-02-01
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
7F6M
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BU of 7f6m by Molmil
Crystal structure of APC complexed with a peptide inhibitor MAI-516
Descriptor: Adenomatous polyposis coli protein, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Song, K, Zhang, J.
Deposit date:2021-06-25
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Efficient Adenomatous Polyposis Coli - Rho Guanine Nucleotide Exchange Factor 4 Inhibitors by Employing High Binding Affinity Tracer
To Be Published
8BI2
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BU of 8bi2 by Molmil
Syk kinase domain in complex with macrocyclic inhibitor 20a
Descriptor: 10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one, Tyrosine-protein kinase SYK
Authors:Read, J.A, Patel, J.
Deposit date:2022-11-01
Release date:2023-06-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.508 Å)
Cite:Optimization of a series of novel, potent and selective Macrocyclic SYK inhibitors.
Bioorg.Med.Chem.Lett., 91, 2023
7MDY
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BU of 7mdy by Molmil
LolCDE nucleotide-bound
Descriptor: ADP ORTHOVANADATE, Lipo-releasing system transmembrane protein lolC, Lipoprotein transporter subunit LolE, ...
Authors:Sharma, S, Liao, M.
Deposit date:2021-04-06
Release date:2021-08-11
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mechanism of LolCDE as a molecular extruder of bacterial triacylated lipoproteins
Nat Commun, 12, 2021
7MDX
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BU of 7mdx by Molmil
LolCDE nucleotide-free
Descriptor: (2R)-2-(tridecanoyloxy)propyl hexadecanoate, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, ...
Authors:Sharma, S, Liao, M.
Deposit date:2021-04-06
Release date:2021-08-11
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Mechanism of LolCDE as a molecular extruder of bacterial triacylated lipoproteins
Nat Commun, 12, 2021
7MEW
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BU of 7mew by Molmil
E. coli MsbA in complex with G247
Descriptor: (2E)-3-{1-cyclopropyl-7-[(1S)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid, ATP-dependent lipid A-core flippase
Authors:Thelot, F, Liao, M.
Deposit date:2021-04-08
Release date:2021-10-06
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Distinct allosteric mechanisms of first-generation MsbA inhibitors.
Science, 374, 2021
7MET
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BU of 7met by Molmil
A. baumannii MsbA in complex with TBT1 decoupler
Descriptor: 2-(4-chlorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, ATP-dependent lipid A-core flippase
Authors:Thelot, F, Liao, M.
Deposit date:2021-04-07
Release date:2021-10-06
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:Distinct allosteric mechanisms of first-generation MsbA inhibitors.
Science, 374, 2021
8ESM
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BU of 8esm by Molmil
Human triacylglycerol synthesizing enzyme DGAT1 in complex with T863 inhibitor
Descriptor: Diacylglycerol O-acyltransferase 1, {(1r,4r)-4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl}acetic acid
Authors:Sui, X, Kun, W, Walther, T, Farese, R, Liao, M.
Deposit date:2022-10-14
Release date:2023-06-07
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of action for small-molecule inhibitors of triacylglycerol synthesis.
Nat Commun, 14, 2023

222036

PDB entries from 2024-07-03

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