2K6B
 
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5VFT
 | | Nucleotide-driven Triple-state Remodeling of the AAA-ATPase Channel in the Activated Human 26S Proteasome | | Descriptor: | 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, 26S proteasome non-ATPase regulatory subunit 12, ... | | Authors: | Zhu, Y, Wang, W.L, Yu, D, Ouyang, Q, Lu, Y, Mao, Y. | | Deposit date: | 2017-04-09 | | Release date: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Structural mechanism for nucleotide-driven remodeling of the AAA-ATPase unfoldase in the activated human 26S proteasome.
Nat Commun, 9, 2018
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7ZZO
 | | HDAC2 in complex with an inhibitor | | Descriptor: | 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-25 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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2K7M
 | | Structure of the Connexin40 Carboxyl terminal Domain | | Descriptor: | Gap junction alpha-5 protein | | Authors: | Bouvier, D, Spagnol, G, Kieken, F, Vitrac, H, Kellezi, A, Forge, V. | | Deposit date: | 2008-08-14 | | Release date: | 2009-07-28 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Characterization of the structure and intermolecular interactions between the connexin40 and connexin43 carboxyl-terminal and cytoplasmic loop domains.
J.Biol.Chem., 284, 2009
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2K75
 | | Solution NMR structure of the OB domain of Ta0387 from Thermoplasma acidophilum. Northeast Structural Genomics Consortium target TaR80b. | | Descriptor: | uncharacterized protein Ta0387 | | Authors: | Ramelot, T.A, Ding, K, Lee, D, Jiang, M, Ciccosanti, C, Xiao, R, Nair, R, Everett, J.K, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-08-01 | | Release date: | 2008-08-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of the OB domain of Ta0387 from Thermoplasma acidophilum.
To be Published
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3FCY
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3V1T
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7ZZT
 | | Ligand binding to HDAC2 | | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-26 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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7ZZP
 | | Structure of HDAC2 complexed with an inhibitory ligand | | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-25 | | Release date: | 2022-09-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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7ZZR
 | | HDAC2 in complex with inhibitory ligand | | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-26 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.168 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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7ZZW
 | | Ligand binding to HDAC2 | | Descriptor: | 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-26 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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2KCQ
 | | Solution structure of protein SRU_2040 from Salinibacter ruber (strain DSM 13855) . Northeast Structural Genomics Consortium target SrR106 | | Descriptor: | Mov34/MPN/PAD-1 family | | Authors: | Wu, Y, Eletsky, A, Zhao, L, Hua, J, Sukumaran, D, Jiang, M, Foote, E.L, Xiao, R, Nair, R, Everett, J.K, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-12-28 | | Release date: | 2009-02-24 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution structure of protein SRU_2040 from Salinibacter ruber (strain DSM 13855). Northeast Structural Genomics Consortium target SrR106
To be Published
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8A0B
 | | Inhibitor binding to HDAC2 | | Descriptor: | 1,2-ETHANEDIOL, 1,3-dihydroisoindol-2-yl-[(2R,4S)-4-phenylpyrrolidin-1-ium-2-yl]methanone, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-27 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.746 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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7ZZS
 | | HDAC2 complexed with an inhibitory ligand | | Descriptor: | (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one, 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-26 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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3FI1
 | | NhaA dimer model | | Descriptor: | Na(+)/H(+) antiporter nhaA | | Authors: | Appel, M, Hizlan, D, Vinothkumar, K.R, Ziegler, C, Kuehlbrandt, W. | | Deposit date: | 2008-12-10 | | Release date: | 2009-01-13 | | Last modified: | 2024-02-21 | | Method: | ELECTRON CRYSTALLOGRAPHY (7 Å) | | Cite: | Conformations of NhaA, the Na/H exchanger from Escherichia coli, in the pH-activated and ion-translocating states
J.Mol.Biol., 386, 2009
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2KDE
 | | NMR structure of major S5a (196-306):K48 linked diubiquitin species | | Descriptor: | 26S proteasome non-ATPase regulatory subunit 4, Ubiquitin | | Authors: | Zhang, N, Wang, Q, Ehlinger, A, Randles, L, Lary, J.W, Kang, Y, Haririnia, A, Cole, J.L, Fushman, D, Walters, K.J. | | Deposit date: | 2009-01-06 | | Release date: | 2009-09-01 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Structure of the s5a:k48-linked diubiquitin complex and its interactions with rpn13.
Mol.Cell, 35, 2009
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7ZZU
 | | Inhibitory Ligand binding to HDAC2 | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[(2~{R},4~{S})-4-phenylpyrrolidin-2-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-26 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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2KCK
 | | NMR solution structure of the Northeast Structural Genomics Consortium (NESG) target MrR121A | | Descriptor: | TPR repeat | | Authors: | Barb, A.W, Lee, H.-W, Wang, X, Lee, D, Jiang, M, Ciccosanti, C, Xiao, R, Nair, R, Everett, J.K, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Prestegard, J.H, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-12-22 | | Release date: | 2009-01-27 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of the Northeast Structural Genomics Target MrR121A
To be Published
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3V74
 | | crystal structure of FBF-2 in complex with gld-1 FBEa13 RNA | | Descriptor: | Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*CP*AP*UP*GP*UP*GP*CP*CP*AP*UP*AP*C)-3') | | Authors: | Wang, Y, Qiu, C, Kershner, A, Holley, C.P, Wilinski, D, Keles, S, Kimble, J, Wickens, M, Hall, T.M.T. | | Deposit date: | 2011-12-20 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Divergence of PUF protein specificity through variations in an RNA-binding pocket
J.Biol.Chem., 2012
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3V6T
 | | Crystal structure of the DNA-bound dHax3, a TAL effector, at 1.85 angstrom | | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), dHax3 | | Authors: | Deng, D, Yan, C.Y, Pan, X.J, Wang, J.W, Yan, N, Shi, Y.G. | | Deposit date: | 2011-12-20 | | Release date: | 2012-01-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Basis for Sequence-Specific Recognition of DNA by TAL Effectors
Science, 2012
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3R3D
 | | Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant T77S complexed with 4-hydroxyphenacyl CoA | | Descriptor: | 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase | | Authors: | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | | Deposit date: | 2011-03-15 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
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7ZPG
 | | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH LIGAND | | Descriptor: | Monoglyceride lipase, [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-bromanyl-3-methoxy-phenyl)methanone | | Authors: | Kemble, A, Hornsperger, B, Ruf, I, Richter, H, Benz, J, Kuhn, B, Heer, D, Wittwer, M, Engelhardt, B, Grether, U, Collin, L, Leibrock, L. | | Deposit date: | 2022-04-27 | | Release date: | 2022-09-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | A potent and selective inhibitor for the modulation of MAGL activity in the neurovasculature.
Plos One, 17, 2022
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7ZTS
 | | Saccharomyces cerevisiae L-BC virus, open particle, asymmetric reconstruction | | Descriptor: | Major capsid protein | | Authors: | Grybchuk, D, Prochazkova, M, Fuzik, T, Konovalovas, A, Serva, S, Yurchenko, V, Plevka, P. | | Deposit date: | 2022-05-11 | | Release date: | 2022-09-21 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (16 Å) | | Cite: | Structures of L-BC virus and its open particle provide insight into Totivirus capsid assembly.
Commun Biol, 5, 2022
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3G72
 | | Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors | | Descriptor: | (1S,5R)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W. | | Deposit date: | 2009-02-09 | | Release date: | 2009-06-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
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7ZWH
 | | VWF Tubules of D1D2 and D'D3A1 domains | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Javitt, G, Fass, D. | | Deposit date: | 2022-05-19 | | Release date: | 2022-07-13 | | Last modified: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Assembly of von Willebrand factor tubules with in vivo helical parameters requires A1 domain insertion.
Blood, 140, 2022
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