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3BUT
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BU of 3but by Molmil
Crystal structure of protein Af_0446 from Archaeoglobus fulgidus
Descriptor: Uncharacterized protein Af_0446
Authors:Bonanno, J.B, Patskovsky, Y, Ozyurt, S, Ashok, S, Zhang, F, Groshong, C, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-01-03
Release date:2008-01-15
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of protein Af_0446 from Archaeoglobus fulgidus.
To be Published
3LMA
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BU of 3lma by Molmil
Crystal structure of the stage V sporulation protein AD (SpoVAD) from Bacillus licheniformis. Northeast Structural Genomics Consortium Target BiR6.
Descriptor: Stage V sporulation protein AD (SpoVAD)
Authors:Vorobiev, S, Ashok, S, Seetharaman, J, Belote, R.L, Ciccosanti, C, Patel, D.J, Janjua, H, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-01-29
Release date:2010-02-09
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.993 Å)
Cite:Crystal structure of the stage V sporulation protein AD (SpoVAD) from Bacillus licheniformis.
To be Published
3LMC
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BU of 3lmc by Molmil
Crystal Structure of zinc-dependent peptidase from Methanocorpusculum labreanum (strain Z), Northeast Structural Genomics Consortium Target MuR16
Descriptor: FE (III) ION, Peptidase, zinc-dependent, ...
Authors:Kuzin, A, Ashok, S, Vorobiev, S, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-01-29
Release date:2010-02-16
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Northeast Structural Genomics Consortium Target MuR16
To be published
6E5V
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BU of 6e5v by Molmil
human mGlu8 receptor amino terminal domain in complex with (S)-3,4-Dicarboxyphenylglycine (DCPG)
Descriptor: 4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid, CHLORIDE ION, Metabotropic glutamate receptor 8
Authors:Chen, Q, Ho, J.D, Ashok, S, Vargas, M.C, Wang, J, Atwell, S, Bures, M, Schkeryantz, J.M, Monn, J.A, Hao, J.
Deposit date:2018-07-23
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural Basis for ( S)-3,4-Dicarboxyphenylglycine (DCPG) As a Potent and Subtype Selective Agonist of the mGlu8Receptor.
J. Med. Chem., 61, 2018
4MI5
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BU of 4mi5 by Molmil
Crystal structure of the EZH2 SET domain
Descriptor: Histone-lysine N-methyltransferase EZH2, SULFATE ION, ZINC ION
Authors:Antonysamy, S, Condon, B, Druzina, Z, Bonanno, J, Gheyi, T, Macewan, I, Zhang, A, Ashok, S, Russell, M, Luz, J.G.
Deposit date:2013-08-30
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Context of Disease-Associated Mutations and Putative Mechanism of Autoinhibition Revealed by X-Ray Crystallographic Analysis of the EZH2-SET Domain.
Plos One, 8, 2013
4I5I
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BU of 4i5i by Molmil
Crystal structure of the SIRT1 catalytic domain bound to NAD and an EX527 analog
Descriptor: (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Zhao, X, Allison, D, Condon, B, Zhang, F, Gheyi, T, Zhang, A, Ashok, S, Russell, M, Macewan, I, Qian, Y, Jamison, J.A, Luz, J.G.
Deposit date:2012-11-28
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The 2.5 angstrom crystal structure of the SIRT1 catalytic domain bound to nicotinamide adenine dinucleotide (NAD+) and an indole (EX527 analogue) reveals a novel mechanism of histone deacetylase inhibition.
J.Med.Chem., 56, 2013
6CCY
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BU of 6ccy by Molmil
Crystal structure of Akt1 in complex with a selective inhibitor
Descriptor: (5R)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one, RAC-alpha serine/threonine-protein kinase,PIFtide
Authors:Wang, Y, Stout, S.
Deposit date:2018-02-07
Release date:2018-05-02
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Discovery of chiral dihydropyridopyrimidinones as potent, selective and orally bioavailable inhibitors of AKT.
Bioorg. Med. Chem. Lett., 28, 2018
7ENZ
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BU of 7enz by Molmil
Crystal structure of Phenanthredinone moiety in complex with the second bromodomain of BRD2 (BRD2-BD2).
Descriptor: Bromodomain-containing protein 2, TRIETHYLENE GLYCOL, phenanthridin-6(5H)-one
Authors:Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S.
Deposit date:2021-04-21
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural investigation of a pyrano-1,3-oxazine derivative and the phenanthridinone core moiety against BRD2 bromodomains.
Acta Crystallogr.,Sect.F, 78, 2022
7VRM
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BU of 7vrm by Molmil
crystal structure of BRD2-BD2 in complex with purine derivative
Descriptor: Bromodomain-containing protein 2, THEOPHYLLINE
Authors:Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
Deposit date:2021-10-23
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VRO
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BU of 7vro by Molmil
crystal structure of BRD2-BD1 in complex with purine derivative
Descriptor: Bromodomain-containing protein 2, SULFATE ION, THEOBROMINE
Authors:Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
Deposit date:2021-10-23
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VRK
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BU of 7vrk by Molmil
crystal structure of BRD2-BD1 in complex with purine derivative
Descriptor: Bromodomain-containing protein 2, SULFATE ION, THEOPHYLLINE
Authors:Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
Deposit date:2021-10-23
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VRH
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BU of 7vrh by Molmil
crystal structure of BRD2-BD1 in complex with guanosine analog
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 9-HYROXYETHOXYMETHYLGUANINE, Bromodomain-containing protein 2, ...
Authors:Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
Deposit date:2021-10-22
Release date:2023-02-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VS0
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BU of 7vs0 by Molmil
crystal structure of BRD2-BD2 in complex with purine derivative
Descriptor: Bromodomain-containing protein 2, Doxofylline, GLYCEROL
Authors:Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
Deposit date:2021-10-25
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VSF
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BU of 7vsf by Molmil
crystal structure of BRD2-BD1 in complex with purine derivative
Descriptor: 3-methyl-7-propyl-purine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain-containing protein 2, ...
Authors:Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
Deposit date:2021-10-26
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VRI
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BU of 7vri by Molmil
crystal structure of BRD2-BD2 in complex with guanosine analog
Descriptor: 9-HYROXYETHOXYMETHYLGUANINE, Bromodomain-containing protein 2
Authors:Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
Deposit date:2021-10-23
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VRQ
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BU of 7vrq by Molmil
crystal structure of BRD2-BD2 in complex with purine derivative
Descriptor: Bromodomain-containing protein 2, GLYCEROL, THEOBROMINE
Authors:Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
Deposit date:2021-10-23
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VS1
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BU of 7vs1 by Molmil
crystal structure of BRD2-BD2 in complex with purine derivative
Descriptor: 3-methyl-7-propyl-purine-2,6-dione, Bromodomain-containing protein 2, GLYCEROL
Authors:Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
Deposit date:2021-10-25
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VRZ
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BU of 7vrz by Molmil
crystal structure of BRD2-BD1 in complex with purine derivative
Descriptor: Bromodomain-containing protein 2, Doxofylline, SULFATE ION
Authors:Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
Deposit date:2021-10-25
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7ENV
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BU of 7env by Molmil
crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2 (BRD2-BD1).
Descriptor: 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione, Bromodomain-containing protein 2, SULFATE ION
Authors:Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S.
Deposit date:2021-04-19
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural investigation of a pyrano-1,3-oxazine derivative and the phenanthridinone core moiety against BRD2 bromodomains.
Acta Crystallogr.,Sect.F, 78, 2022
7EO5
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BU of 7eo5 by Molmil
Crystal structure of pyrano 1,3, oxazine derivative in complex with the second bromodomain of BRD2
Descriptor: 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione, Bromodomain-containing protein 2, TRIETHYLENE GLYCOL
Authors:Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S.
Deposit date:2021-04-21
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural investigation of a pyrano-1,3-oxazine derivative and the phenanthridinone core moiety against BRD2 bromodomains.
Acta Crystallogr.,Sect.F, 78, 2022

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