3OOF
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4O22
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![BU of 4o22 by Molmil](/molmil-images/mine/4o22) | Binary complex of metal-free PKAc with SP20. | Descriptor: | Phosphorylated peptide pSP20., cAMP-dependent protein kinase catalytic subunit alpha. | Authors: | Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S.S. | Deposit date: | 2013-12-16 | Release date: | 2014-05-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer. Biochemistry, 53, 2014
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9FBY
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9FBX
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![BU of 9fbx by Molmil](/molmil-images/mine/9fbx) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one, ... | Authors: | Chung, C. | Deposit date: | 2024-05-14 | Release date: | 2024-06-26 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Structure- and Property-Based Optimization of Efficient Pan-Bromodomain and Extra Terminal Inhibitors to Identify Oral and Intravenous Candidate I-BET787. J.Med.Chem., 67, 2024
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3PNA
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![BU of 3pna by Molmil](/molmil-images/mine/3pna) | Crystal Structure of cAMP bound (91-244)RIa Subunit of cAMP-dependent Protein Kinase | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GLYCEROL, cAMP-dependent protein kinase type I-alpha regulatory subunit | Authors: | Kim, C, Taylor, S. | Deposit date: | 2010-11-18 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.503 Å) | Cite: | Cyclic AMP Analog Blocks Kinase Activation by Stabilizing Inactive Conformation: Conformational Selection Highlights a New Concept in Allosteric Inhibitor Design. Mol Cell Proteomics, 10, 2011
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6E21
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![BU of 6e21 by Molmil](/molmil-images/mine/6e21) | Joint X-ray/neutron structure of PKAc with products Sr2-ADP and phosphorylated peptide SP20 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, STRONTIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Kovalevsky, A, Gerlits, O.O, Taylor, S. | Deposit date: | 2018-07-10 | Release date: | 2019-04-03 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | Cite: | Zooming in on protons: Neutron structure of protein kinase A trapped in a product complex. Sci Adv, 5, 2019
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2KNR
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![BU of 2knr by Molmil](/molmil-images/mine/2knr) | Solution structure of protein Atu0922 from A. tumefaciens. Northeast Structural Genomics Consortium target AtT13. Ontario Center for Structural Proteomics target ATC0905 | Descriptor: | Uncharacterized protein ATC0905 | Authors: | Gutmanas, A, Yee, S, Lemak, A, Fares, A, Semesi, A, Montelione, G.T, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP) | Deposit date: | 2009-09-02 | Release date: | 2009-11-03 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of protein atc0905 from A. tumefaciens To be Published
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4LKS
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![BU of 4lks by Molmil](/molmil-images/mine/4lks) | Structure of CBM32-3 from a family 31 glycoside hydrolase from Clostridium perfringens in complex with galactose | Descriptor: | CALCIUM ION, Glycosyl hydrolase, family 31/fibronectin type III domain protein, ... | Authors: | Grondin, J.M, Duan, D, Kirlin, A.C, Furness, H.S, Allingham, J.S, Smith, S.P. | Deposit date: | 2013-07-08 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens. Plos One, 12, 2017
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2JOQ
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![BU of 2joq by Molmil](/molmil-images/mine/2joq) | Solution Structure of Protein HP0495 from H. pylori; Northeast structural genomics consortium target PT2; Ontario Centre for Structural Proteomics target HP0488 | Descriptor: | Hypothetical protein HP_0495 | Authors: | Gutmanas, A, Lemak, A, Yee, A, Karra, M, Srisailam, S, Semesi, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP) | Deposit date: | 2007-03-19 | Release date: | 2007-04-03 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution Structure of Protein HP0495 from H. pylori To be Published
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2JQ4
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![BU of 2jq4 by Molmil](/molmil-images/mine/2jq4) | Complete resonance assignments and solution structure calculation of ATC2521 (NESG ID: AtT6) from Agrobacterium tumefaciens | Descriptor: | Hypothetical protein Atu2571 | Authors: | Srisailam, S, Lemak, A, Yee, A, Karra, M.D, Lukin, J.A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-05-29 | Release date: | 2007-06-12 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution Structure of a protein (ATC2521)of unknown function from Agrobacterium tumefaciens To be Published
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2JN4
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![BU of 2jn4 by Molmil](/molmil-images/mine/2jn4) | Solution NMR Structure of Protein RP4601 from Rhodopseudomonas palustris. Northeast Structural Genomics Consortium Target RpT2; Ontario Center for Structural Proteomics Target RP4601. | Descriptor: | Hypothetical protein fixU, nifT | Authors: | Lemak, A, Srisailam, S, Yee, A, Karra, M.D, Lukin, J.A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-12-22 | Release date: | 2007-01-23 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution structure of a hypothetical protein RP4601 from Rhodopseudomonas palustris To be Published
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4LPL
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![BU of 4lpl by Molmil](/molmil-images/mine/4lpl) | Structure of CBM32-1 from a family 31 glycoside hydrolase from Clostridium perfringens | Descriptor: | CALCIUM ION, Glycosyl hydrolase, family 31/fibronectin type III domain protein, ... | Authors: | Grondin, J.M, Duan, D, Heather, F.S, Spencer, C.A, Allingham, J.S, Smith, S.P. | Deposit date: | 2013-07-16 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens. Plos One, 12, 2017
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2JTV
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![BU of 2jtv by Molmil](/molmil-images/mine/2jtv) | Solution Structure of protein RPA3401, Northeast Structural Genomics Consortium Target RpT7, Ontario Center for Structural Proteomics Target RP3384 | Descriptor: | Protein of Unknown Function | Authors: | Ignatchenko, A, Gutmanas, A, Lemak, A, Yee, A, Karra, M, Srisailam, S, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-08-07 | Release date: | 2007-10-09 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution Structure of protein RPA3401, Northeast Structural Genomics Consortium Target RpT7, Ontario Center for Structural Proteomics Target RP3384 TO BE PUBLISHED
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5UIX
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4LQR
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![BU of 4lqr by Molmil](/molmil-images/mine/4lqr) | Structure of CBM32-3 from a family 31 glycoside hydrolase from Clostridium perfringens | Descriptor: | CALCIUM ION, Glycosyl hydrolase, family 31/fibronectin type III domain protein | Authors: | Grondin, J.M, Furness, H.S, Duan, D, Spencer, C.A, Allingham, J.S, Smith, S.P. | Deposit date: | 2013-07-19 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens. Plos One, 12, 2017
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2KEO
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![BU of 2keo by Molmil](/molmil-images/mine/2keo) | Solution NMR structure of human protein HS00059, cytochrome-b5-like domain of the HERC2 E3 ligase. Northeast structural genomics consortium (NESG) target ht98a | Descriptor: | Probable E3 ubiquitin-protein ligase HERC2 | Authors: | Lemak, A, Gutmanas, A, Fares, C, Quyang, H, Li, Y, Montelione, G, Arrowsmith, C, Dhe-Paganon, S, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-01-30 | Release date: | 2009-02-24 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of human protein HS00059 To be Published
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2KDB
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![BU of 2kdb by Molmil](/molmil-images/mine/2kdb) | Solution Structure of human ubiquitin-like domain of Herpud2_9_85, Northeast Structural Genomics Consortium (NESG) target HT53A | Descriptor: | Homocysteine-responsive endoplasmic reticulum-resident ubiquitin-like domain member 2 protein | Authors: | Wu, B, Yee, A, Fares, C, Lemak, A, Gutmanas, A, Doherty, R, Semesi, A, Dhe-Paganon, S, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC) | Deposit date: | 2009-01-06 | Release date: | 2009-02-10 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure of human homocysteine-inducible, endoplasmic reticulum stress-inducible, ubiquitin-like domain member 2 (Herpud2 or Herp) To be Published
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2KKU
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![BU of 2kku by Molmil](/molmil-images/mine/2kku) | Solution structure of protein af2351 from Archaeoglobus fulgidus. Northeast Structural Genomics Consortium target AtT9/Ontario Center for Structural Proteomics Target af2351 | Descriptor: | Uncharacterized protein | Authors: | Wu, B, Yee, A, Fares, C, Lemak, A, Rumpel, S, Semest, A, Montelione, G.T, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP) | Deposit date: | 2009-06-29 | Release date: | 2009-07-14 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution structure of protein af2351 from Archaeoglobus fulgidus. Northeast Structural Genomics Consortium target AtT9/Ontario Center for Structural Proteomics Target af2351 To be Published
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2KR1
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![BU of 2kr1 by Molmil](/molmil-images/mine/2kr1) | Solution NMR structure of zinc binding N-terminal domain of ubiquitin-protein ligase E3A from Homo Sapiens. Northeast Structural Genomics Consortium (NESG) target HR3662 | Descriptor: | Ubiquitin protein ligase E3A, ZINC ION | Authors: | Lemak, A, Yee, A, Fares, C, Semesi, A, Xiao, R, Montelione, G, Dhe-Paganon, S, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC) | Deposit date: | 2009-11-27 | Release date: | 2009-12-22 | Last modified: | 2020-02-26 | Method: | SOLUTION NMR | Cite: | Zn-binding AZUL domain of human ubiquitin protein ligase Ube3A. J.Biomol.Nmr, 51, 2011
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6XR4
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4UYF
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![BU of 4uyf by Molmil](/molmil-images/mine/4uyf) | N-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) | Descriptor: | 1,2-ETHANEDIOL, 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 2, ... | Authors: | Chung, C, Bamborough, P, Gosmini, R. | Deposit date: | 2014-08-31 | Release date: | 2014-10-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor. J.Med.Chem., 57, 2014
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6ZB0
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6Z8P
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![BU of 6z8p by Molmil](/molmil-images/mine/6z8p) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK973 | Descriptor: | (2~{S},3~{S})-2-(fluoranylmethyl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide, 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ... | Authors: | Chung, C. | Deposit date: | 2020-06-02 | Release date: | 2020-10-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | GSK973 Is an Inhibitor of the Second Bromodomains (BD2s) of the Bromodomain and Extra-Terminal (BET) Family. Acs Med.Chem.Lett., 11, 2020
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6ZB1
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![BU of 6zb1 by Molmil](/molmil-images/mine/6zb1) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK620 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide | Authors: | Chung, C. | Deposit date: | 2020-06-06 | Release date: | 2020-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor. J.Med.Chem., 63, 2020
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6ZB2
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![BU of 6zb2 by Molmil](/molmil-images/mine/6zb2) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK549 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, DI(HYDROXYETHYL)ETHER, ... | Authors: | Chung, C. | Deposit date: | 2020-06-06 | Release date: | 2020-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.282 Å) | Cite: | The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor. J.Med.Chem., 63, 2020
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