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7WTA
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BU of 7wta by Molmil
Cryo-EM structure of human pyruvate carboxylase in apo state
Descriptor: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, Pyruvate carboxylase, mitochondrial
Authors:Chai, P, Lan, P, Wu, J, Lei, M.
Deposit date:2022-02-04
Release date:2022-11-09
Last modified:2022-11-16
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Mechanistic insight into allosteric activation of human pyruvate carboxylase by acetyl-CoA.
Mol.Cell, 82, 2022
7WTD
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BU of 7wtd by Molmil
Cryo-EM structure of human pyruvate carboxylase with acetyl-CoA in the intermediate state 1
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, COENZYME A, Pyruvate carboxylase, ...
Authors:Chai, P, Lan, P, Wu, J, Lei, M.
Deposit date:2022-02-04
Release date:2022-11-09
Last modified:2022-11-16
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Mechanistic insight into allosteric activation of human pyruvate carboxylase by acetyl-CoA.
Mol.Cell, 82, 2022
7WTC
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BU of 7wtc by Molmil
Cryo-EM structure of human pyruvate carboxylase with acetyl-CoA in the ground state
Descriptor: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ACETYL COENZYME *A, Pyruvate carboxylase, ...
Authors:Chai, P, Lan, P, Wu, J, Lei, M.
Deposit date:2022-02-04
Release date:2022-11-09
Last modified:2022-11-16
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Mechanistic insight into allosteric activation of human pyruvate carboxylase by acetyl-CoA.
Mol.Cell, 82, 2022
6U6A
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BU of 6u6a by Molmil
Crystal structure of Yck2 from Candida albicans in complex with kinase inhibitor GW461484A
Descriptor: 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine, SULFATE ION, Serine/threonine protein kinase
Authors:Stogios, P.J, Evdokimova, E, Di Leo, R, Chang, C, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-08-29
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Overcoming Fungal Echinocandin Resistance through Inhibition of the Non-essential Stress Kinase Yck2.
Cell Chem Biol, 27, 2020
5ENM
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BU of 5enm by Molmil
Compound 10
Descriptor: (2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Lewis, H.A.
Deposit date:2015-11-09
Release date:2016-10-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents.
Acs Med.Chem.Lett., 7, 2016
5ENK
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BU of 5enk by Molmil
Compound 18
Descriptor: (4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Lewis, H.A.
Deposit date:2015-11-09
Release date:2016-07-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents.
Acs Med.Chem.Lett., 7, 2016
4OED
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BU of 4oed by Molmil
Crystal structure of AR-LBD bound with co-regulator peptide
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Protein BUD31 homolog, ...
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-13
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OIL
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BU of 4oil by Molmil
Crystal structure of T877A-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, HYDROXYFLUTAMIDE, co-regulator peptide
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-19
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OEA
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BU of 4oea by Molmil
Crystal structure of AR-LBD
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-12
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OFR
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BU of 4ofr by Molmil
Crystal structure of AR-LBD bound with co-regulator peptide
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, co-regulator peptide
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-15
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OFU
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BU of 4ofu by Molmil
Crystal structure of AR-LBD bound with co-regulator peptide
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, co-regulator peptide
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-15
Release date:2014-08-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OIU
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BU of 4oiu by Molmil
Crystal structure of T877A-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, HYDROXYFLUTAMIDE, co-regulator peptide
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-20
Release date:2014-08-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OKT
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BU of 4okt by Molmil
Crystal structure of W741L-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, R-BICALUTAMIDE, co-regulator peptide
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-22
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OK1
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BU of 4ok1 by Molmil
Crystal structure of W741L-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, R-BICALUTAMIDE, co-regulator peptide
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-21
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OLM
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BU of 4olm by Molmil
Crystal structure of W741L-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, R-BICALUTAMIDE, co-regulator peptide
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-24
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OQJ
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BU of 4oqj by Molmil
Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmQ KS1
Descriptor: GLYCEROL, PHOSPHATE ION, PKS, ...
Authors:Nocek, B, Mack, J, Endras, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2014-02-09
Release date:2014-03-19
Last modified:2016-11-02
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4OPE
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BU of 4ope by Molmil
Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmH KS7
Descriptor: NITRATE ION, NRPS/PKS
Authors:Osipiuk, J, Mack, J, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2014-02-05
Release date:2014-02-19
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4OH5
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BU of 4oh5 by Molmil
Crystal structure of T877A-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, HYDROXYFLUTAMIDE, SULFATE ION, ...
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-17
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OHA
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BU of 4oha by Molmil
Crystal structure of T877A-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, HYDROXYFLUTAMIDE, SULFATE ION, ...
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-17
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OJ9
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BU of 4oj9 by Molmil
Crystal structure of T877A-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, GLYCEROL, HYDROXYFLUTAMIDE, ...
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-20
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OGH
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BU of 4ogh by Molmil
Crystal structure of T877A-AR-LBD
Descriptor: Androgen receptor, HYDROXYFLUTAMIDE, SULFATE ION
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-16
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
3NW5
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BU of 3nw5 by Molmil
Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with a carbon-linked proline isostere inhibitor (11B)
Descriptor: Insulin-like growth factor 1 receptor, N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2R)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
Authors:Sack, J.S.
Deposit date:2010-07-09
Release date:2010-07-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase.
Bioorg.Med.Chem.Lett., 20, 2010
3NW6
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BU of 3nw6 by Molmil
Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with a carbon-linked proline isostere inhibitor (11A)
Descriptor: Insulin-like growth factor 1 receptor, N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2S)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
Authors:Sack, J.S.
Deposit date:2010-07-09
Release date:2010-07-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase.
Bioorg.Med.Chem.Lett., 20, 2010
4OEZ
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BU of 4oez by Molmil
Crystal structure of AR-LBD bound with co-regulator peptide
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION, ...
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-14
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OJB
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BU of 4ojb by Molmil
Crystal structure of W741L-AR-LBD
Descriptor: Androgen receptor, R-BICALUTAMIDE
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-21
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014

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數據於2024-06-12公開中

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