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1GYA
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BU of 1gya by Molmil
N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2
Descriptor: HUMAN CD2, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Wyss, D.F, Choi, J.S, Wagner, G.
Deposit date:1995-05-26
Release date:1996-11-08
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Conformation and function of the N-linked glycan in the adhesion domain of human CD2.
Science, 269, 1995
4JX7
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BU of 4jx7 by Molmil
Crystal structure of Pim1 kinase in complex with inhibitor 2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one
Descriptor: 2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one, PIM1 consensus peptide, Serine/threonine-protein kinase pim-1
Authors:Lee, S.J, Han, B.G, Cho, J.W, Choi, J.S, Lee, J.K, Song, H.J, Koh, J.S, Lee, B.I.
Deposit date:2013-03-27
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of pim1 kinase in complex with a pyrido[4,3-d]pyrimidine derivative suggests a unique binding mode.
Plos One, 8, 2013
4JX3
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BU of 4jx3 by Molmil
Crystal structure of Pim1 kinase
Descriptor: Serine/threonine-protein kinase pim-1
Authors:Lee, S.J, Han, B.G, Cho, J.W, Choi, J.S, Lee, J.K, Song, H.J, Koh, J.S, Lee, B.I.
Deposit date:2013-03-27
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of pim1 kinase in complex with a pyrido[4,3-d]pyrimidine derivative suggests a unique binding mode.
Plos One, 8, 2013
4RSS
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BU of 4rss by Molmil
Crystal structure of tyrosine-protein kinase SYK with an inhibitor
Descriptor: 1-[(3-methyl-1-{2-[(1,2,3-trimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK
Authors:Lee, B.I, Lee, S.J, Choi, J.-S.
Deposit date:2014-11-11
Release date:2015-10-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Highly potent and selective pyrazolylpyrimidines as Syk kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
6IJQ
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BU of 6ijq by Molmil
Solution structure of BCL-XL bound to P73-TAD peptide
Descriptor: Bcl-2-like protein 1,Bcl-2-like protein 1, Tumor protein p73
Authors:Yoon, M.-K, Ha, J.-H, Lee, M.-S, Chi, S.-W.
Deposit date:2018-10-11
Release date:2018-11-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Cytoplasmic pro-apoptotic function of the tumor suppressor p73 is mediated through a modified mode of recognition of the anti-apoptotic regulator Bcl-XL.
J. Biol. Chem., 293, 2018
5GHV
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BU of 5ghv by Molmil
Crystal structure of an inhibitor-bound Syk
Descriptor: 1-({1-[2-({3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]-4-methyl-1H-pyrrol-3-yl}methyl)azetidin-3-ol, Tyrosine-protein kinase SYK
Authors:Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
Deposit date:2016-06-20
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
4XG8
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BU of 4xg8 by Molmil
Crystal structure of an inhibitor-bound Syk
Descriptor: 1-[(1-{2-[(3-chloro-1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK
Authors:Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
Deposit date:2014-12-30
Release date:2015-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
4XG2
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BU of 4xg2 by Molmil
Crystal structure of ligand-free Syk
Descriptor: Tyrosine-protein kinase SYK
Authors:Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
Deposit date:2014-12-30
Release date:2015-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
4XG3
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BU of 4xg3 by Molmil
Crystal structure of an inhibitor-bound Syk
Descriptor: 4-{[5-fluoro-4-(3-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}-4-methyl-1H-pyrrol-1-yl)pyrimidin-2-yl]amino}-2,6-dimethylphenyl methanesulfonate, Tyrosine-protein kinase SYK
Authors:Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
Deposit date:2014-12-30
Release date:2015-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
4XG7
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BU of 4xg7 by Molmil
Crystal structure of an inhibitor-bound Syk
Descriptor: 1-[(3-methyl-1-{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK
Authors:Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
Deposit date:2014-12-30
Release date:2015-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
4XG6
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BU of 4xg6 by Molmil
Crystal structure of an inhibitor-bound Syk
Descriptor: 1-[(1-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK
Authors:Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
Deposit date:2014-12-30
Release date:2015-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
4XG4
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BU of 4xg4 by Molmil
Crystal structure of an inhibitor-bound Syk
Descriptor: (3R)-1-{[1-(5-fluoro-2-{[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]amino}pyrimidin-4-yl)-4-methyl-1H-pyrrol-3-yl]methyl}pyrrolidin-3-ol, Tyrosine-protein kinase SYK
Authors:Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
Deposit date:2014-12-30
Release date:2015-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
4XG9
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BU of 4xg9 by Molmil
Crystal structure of an inhibitor-bound Syk
Descriptor: 1-[(1-{2-[(3-chloro-1,2-dimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK
Authors:Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
Deposit date:2014-12-30
Release date:2015-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
8GSV
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BU of 8gsv by Molmil
Crystal structure of human BAK in complex with the Pxt1 BH3 domain
Descriptor: Bcl-2 homologous antagonist/killer, Peroxisomal testis-specific protein 1
Authors:Lim, D, Ku, B.
Deposit date:2022-09-07
Release date:2023-05-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for proapoptotic activation of Bak by the noncanonical BH3-only protein Pxt1.
Plos Biol., 21, 2023
8IGC
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BU of 8igc by Molmil
Crystal structure of Bak bound to Bnip5 BH3
Descriptor: Bcl-2 homologous antagonist/killer, Protein BNIP5
Authors:Ku, B, Lim, D.
Deposit date:2023-02-20
Release date:2023-09-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:Crystal structure of Bak bound to the BH3 domain of Bnip5, a noncanonical BH3 domain-containing protein.
Proteins, 92, 2024
8JOQ
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BU of 8joq by Molmil
Plk1 polo-box domain bound to HPV18 L2 residues 209-215 with pThr213
Descriptor: HPV18 L2 peptide, Serine/threonine-protein kinase PLK1
Authors:Ku, B, Jung, S.
Deposit date:2023-06-08
Release date:2023-10-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Crystal Structures of Plk1 Polo-Box Domain Bound to the Human Papillomavirus Minor Capsid Protein L2-Derived Peptide.
J.Microbiol, 61, 2023
8JOY
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BU of 8joy by Molmil
Plk1 polo-box domain bound to HPV4 L2 residues 251-257 with pThr255
Descriptor: Peptide from Minor capsid protein L2, Serine/threonine-protein kinase PLK1
Authors:Ku, B, Jung, S.
Deposit date:2023-06-09
Release date:2023-10-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal Structures of Plk1 Polo-Box Domain Bound to the Human Papillomavirus Minor Capsid Protein L2-Derived Peptide.
J.Microbiol, 61, 2023
7BVP
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BU of 7bvp by Molmil
AdhE spirosome in extended conformation
Descriptor: Aldehyde-alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Kim, G.J, Song, J.J.
Deposit date:2020-04-11
Release date:2020-06-24
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Aldehyde-alcohol dehydrogenase undergoes structural transition to form extended spirosomes for substrate channeling.
Commun Biol, 3, 2020
8ERA
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BU of 8era by Molmil
RMC-5552 in complex with mTORC1 and FKBP12
Descriptor: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
Authors:Tomlinson, A.C.A, Yano, J.K.
Deposit date:2022-10-11
Release date:2022-12-28
Last modified:2023-01-25
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
8ER6
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BU of 8er6 by Molmil
FKBP12-FRB in Complex with Compound 11
Descriptor: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
Authors:Tomlinson, A.C.A, Yano, J.K.
Deposit date:2022-10-11
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
8ER7
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BU of 8er7 by Molmil
FKBP12-FRB in Complex with Compound 12
Descriptor: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
Authors:Tomlinson, A.C.A, Yano, J.K.
Deposit date:2022-10-11
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
5Y5U
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BU of 5y5u by Molmil
Crystal structures of spleen tyrosine kinase in complex with a novel inhibitor
Descriptor: 4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8H-pyrido[4,3-d]pyrimidin-5-one, Tyrosine-protein kinase SYK
Authors:Lee, S.J, Lee, B.I.
Deposit date:2017-08-09
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal Structures of Spleen Tyrosine Kinase in Complex with Two Novel 4-Aminopyrido[4,3-d] Pyrimidine Derivative Inhibitors.
Mol. Cells, 41, 2018
5Y5T
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BU of 5y5t by Molmil
Crystal structures of spleen tyrosine kinase in complex with a novel inhibitor
Descriptor: 2-[[(1S,2S)-2-azanylcyclohexyl]amino]-4-[(4-methylsulfonylphenyl)amino]-6H-pyrido[4,3-d]pyrimidin-5-one, Tyrosine-protein kinase SYK
Authors:Lee, S.J, Lee, B.I.
Deposit date:2017-08-09
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Spleen Tyrosine Kinase in Complex with Two Novel 4-Aminopyrido[4,3-d] Pyrimidine Derivative Inhibitors.
Mol. Cells, 41, 2018
7WJH
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BU of 7wjh by Molmil
Crystal structure of Bcl-xL bound to the BH3 domain of human Pxt1
Descriptor: Bcl-2-like protein 1, MAGNESIUM ION, Peroxisomal testis-specific protein 1, ...
Authors:Lim, D, Ku, B.
Deposit date:2022-01-06
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Structural and biochemical analyses of Bcl-xL in complex with the BH3 domain of peroxisomal testis-specific 1.
Biochem.Biophys.Res.Commun., 625, 2022
7D35
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BU of 7d35 by Molmil
Human LC8 bound to ebola virus VP35(67-76)
Descriptor: Dynein light chain 1, cytoplasmic, Peptide from Polymerase cofactor VP35
Authors:Ku, B, Lim, D.
Deposit date:2020-09-18
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Crystal structure of human LC8 bound to a peptide from Ebola virus VP35.
J.Microbiol, 59, 2021

 

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