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4Z1Q
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BU of 4z1q by Molmil
Crystal structure of the first bromodomain of human BRD4 bound to benzotriazolo-diazepine scaffold
Descriptor: 5-[(4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine, Bromodomain-containing protein 4
Authors:Setser, J.W, Poy, F, Tang, Y, Bellon, S.F.
Deposit date:2015-03-27
Release date:2015-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Discovery of Benzotriazolo[4,3-d][1,4]diazepines as Orally Active Inhibitors of BET Bromodomains.
Acs Med.Chem.Lett., 7, 2016
4Z1S
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BU of 4z1s by Molmil
Crystal structure of the first bromodomain of human BRD4 with benzotriazolo-diazepine scaffold
Descriptor: 5-[(4S)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine, Bromodomain-containing protein 4
Authors:Setser, J.W, Poy, F, Tang, Y, Bellon, S.F.
Deposit date:2015-03-27
Release date:2015-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Discovery of Benzotriazolo[4,3-d][1,4]diazepines as Orally Active Inhibitors of BET Bromodomains.
Acs Med.Chem.Lett., 7, 2016
4ZW2
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BU of 4zw2 by Molmil
Crystal structure of the Mouse voltage gated calcium channel beta subunit isoform 1a in complex with Alpha Interaction Domain peptide.
Descriptor: TRIETHYLENE GLYCOL, Voltage-dependent L-type calcium channel subunit alpha-1S, Voltage-dependent L-type calcium channel subunit beta-1,Voltage-dependent L-type calcium channel subunit beta-1
Authors:Norris, N.C, Oakley, A.J.
Deposit date:2015-05-19
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural and biophysical analyses of the skeletal dihydropyridine receptor beta subunit beta 1a reveal critical roles of domain interactions for stability.
J. Biol. Chem., 292, 2017
3BXZ
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BU of 3bxz by Molmil
Crystal structure of the isolated DEAD motor domains from Escherichia coli SecA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Preprotein translocase subunit secA, ...
Authors:Nithianantham, S, Namjoshi, S, Shilton, B.H.
Deposit date:2008-01-15
Release date:2008-09-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Analysis of the isolated SecA DEAD motor suggests a mechanism for chemical-mechanical coupling.
J.Mol.Biol., 383, 2008
6WW8
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BU of 6ww8 by Molmil
BRD4 Bromodomain 1 in complex with triple CDK4/6-PI3K-BET inhibitor
Descriptor: 7-cyclopentyl-N,N-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Bromodomain-containing protein 4
Authors:Vann, K.R, Kutateladze, T.G.
Deposit date:2020-05-08
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:A triple action CDK4/6-PI3K-BET inhibitor with augmented cancer cell cytotoxicity.
Cell Discov, 6, 2020
5K94
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BU of 5k94 by Molmil
Deletion-Insertion Chimera of MBP with the Preprotein Cross-Linking Domain of the SecA ATPase
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Maltose-binding periplasmic protein,Protein translocase subunit SecA,Maltose-binding periplasmic protein
Authors:Shilton, B.H, Hackett, J, Ghonaim, N.
Deposit date:2016-05-31
Release date:2017-06-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization of a polypeptide-binding site in the DEAD Motor of the SecA ATPase.
FEBS Lett., 591, 2017
7TAB
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BU of 7tab by Molmil
G-925 bound to the SMARCA4 (BRG1) Bromodomain
Descriptor: 2-(6-amino-5-phenylpyridazin-3-yl)phenol, Isoform 4 of Transcription activator BRG1
Authors:Tang, Y, Poy, F, Taylor, A.M, Cochran, A.G, Bellon, S.F.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:GNE-064: A Potent, Selective, and Orally Bioavailable Chemical Probe for the Bromodomains of SMARCA2 and SMARCA4 and the Fifth Bromodomain of PBRM1.
J.Med.Chem., 65, 2022
7TD9
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BU of 7td9 by Molmil
G-059 bound to the SMARCA4 (BRG1) Bromodomain
Descriptor: 4-phenyl-5H-pyridazino[4,3-b]indol-3-amine, Isoform 4 of Transcription activator BRG1
Authors:Tang, Y, Poy, F, Taylor, A.M, Cochran, A.G, Bellon, S.F.
Deposit date:2021-12-30
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:GNE-064: A Potent, Selective, and Orally Bioavailable Chemical Probe for the Bromodomains of SMARCA2 and SMARCA4 and the Fifth Bromodomain of PBRM1.
J.Med.Chem., 65, 2022
6VBA
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BU of 6vba by Molmil
Structure of human Uracil DNA Glycosylase (UDG) bound to Aurintricarboxylic acid (ATA)
Descriptor: 3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid), Uracil-DNA glycosylase
Authors:Moiani, D, Arvai, A.S, Tainer, J.A.
Deposit date:2019-12-18
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An effective human uracil-DNA glycosylase inhibitor targets the open pre-catalytic active site conformation.
Prog.Biophys.Mol.Biol., 163, 2021
3FAA
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BU of 3faa by Molmil
Crystal structure of TGFbRI complexed with a 2-aminoimidazole inhibitor
Descriptor: N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide, PHOSPHATE ION, TGF-beta receptor type-1
Authors:Boriack-Sjodin, P.A, Fitch, C.
Deposit date:2008-11-16
Release date:2009-01-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:2-Aminoimidazoles inhibitors of TGF-beta receptor 1.
Bioorg.Med.Chem.Lett., 19, 2009
5U2C
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BU of 5u2c by Molmil
BRD4 second bromodomain (BD2) in complex with dual PI3 kinase (PI3K) inhibitor SF2558HA
Descriptor: Bromodomain-containing protein 4, N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide
Authors:Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U2E
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BU of 5u2e by Molmil
BRD4 first bromodomain (BD1) in complex with dual PI3 kinase (PI3K) inhibitor SF2535
Descriptor: Bromodomain-containing protein 4, ethyl 4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzoate
Authors:Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6IBO
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BU of 6ibo by Molmil
Catalytic deficiency of O-GlcNAc transferase leads to X-linked intellectual disability
Descriptor: (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, ALA-VAL-SER-ARG-ALA, PHOSPHATE ION, ...
Authors:Gundogdu, M, van Aalten, D.M.F.
Deposit date:2018-11-30
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Catalytic deficiency of O-GlcNAc transferase leads to X-linked intellectual disability.
Proc.Natl.Acad.Sci.USA, 116, 2019
5U2F
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BU of 5u2f by Molmil
BRD4 first bromodomain (BD1) in complex with dual PI3 kinase (PI3K) inhibitor SF2558HA
Descriptor: Bromodomain-containing protein 4, N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide
Authors:Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.525 Å)
Cite:Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8MSI
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BU of 8msi by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 N14SQ44T
Descriptor: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
Authors:Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
Deposit date:1999-01-24
Release date:1999-04-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
9AME
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BU of 9ame by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 S42G
Descriptor: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
Authors:Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
Deposit date:1999-01-24
Release date:1999-04-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
6AME
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BU of 6ame by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 M21A
Descriptor: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
Authors:Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
Deposit date:1999-01-24
Release date:1999-04-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
1MSJ
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BU of 1msj by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 T15V
Descriptor: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
Authors:Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
Deposit date:1999-01-24
Release date:1999-04-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
1MSI
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BU of 1msi by Molmil
STRUCTURE OF ANTIFREEZE GLYCOPROTEIN QAE(HPLC 12)
Descriptor: TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12
Authors:Jia, Z, Deluca, C.I, Chao, H, Davies, P.L.
Deposit date:1996-10-08
Release date:1997-12-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural basis for the binding of a globular antifreeze protein to ice.
Nature, 384, 1996
7UI7
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BU of 7ui7 by Molmil
CryoEM structure of LARGE1 from C2 reconstruction
Descriptor: MANGANESE (II) ION, Xylosyl- and glucuronyltransferase LARGE1
Authors:Schnicker, N.J, Joseph, S, Campbell, K.P.
Deposit date:2022-03-28
Release date:2023-03-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:CryoEM structure of LARGE1 from C2 reconstruction
To Be Published
1EKL
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BU of 1ekl by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 E35K
Descriptor: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
Authors:Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
Deposit date:1999-01-21
Release date:1999-04-29
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
8AME
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BU of 8ame by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 N14SA16H
Descriptor: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
Authors:Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
Deposit date:1999-01-24
Release date:1999-04-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
1JAB
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BU of 1jab by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 T18S
Descriptor: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
Authors:Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
Deposit date:1999-01-24
Release date:1999-04-29
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
3AME
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BU of 3ame by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 Q9TQ44T
Descriptor: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
Authors:Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
Deposit date:1999-01-24
Release date:1999-04-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
2JIA
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BU of 2jia by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 K61I
Descriptor: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
Authors:Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
Deposit date:1999-01-24
Release date:1999-04-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999

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數據於2024-08-07公開中

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