4BUP
 
 | | A novel route to product specificity in the Suv4-20 family of histone H4K20 methyltransferases | | Descriptor: | GLYCEROL, HISTONE-LYSINE N-METHYLTRANSFERASE SUV420H1, S-ADENOSYLMETHIONINE, ... | | Authors: | Southall, S.M, Cronin, N.B, Wilson, J.R. | | Deposit date: | 2013-06-21 | | Release date: | 2013-10-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.166 Å) | | Cite: | A Novel Route to Product Specificity in the Suv4-20 Family of Histone H4K20 Methyltransferases.
Nucleic Acids Res., 42, 2014
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7L1U
 | | Orexin Receptor 2 (OX2R) in Complex with G Protein and Natural Peptide-Agonist Orexin B (OxB) | | Descriptor: | Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K. | | Deposit date: | 2020-12-15 | | Release date: | 2021-02-10 | | Last modified: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.
Nat Commun, 12, 2021
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7L1V
 | | Orexin Receptor 2 (OX2R) in Complex with G Protein and Small-Molecule Agonist Compound 1 | | Descriptor: | 4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide, Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K. | | Deposit date: | 2020-12-15 | | Release date: | 2021-02-10 | | Last modified: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.
Nat Commun, 12, 2021
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6Y55
 | | The crystal structure of glycogen phosphorylase in complex with 43 | | Descriptor: | 2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form | | Authors: | Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2020-02-24 | | Release date: | 2020-08-19 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors.
Bioorg.Chem., 102, 2020
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7L7Q
 | | Ctf3c with Ulp2-KIM | | Descriptor: | Inner kinetochore subunit CTF3, Inner kinetochore subunit MCM16, Inner kinetochore subunit MCM22 | | Authors: | Hinshaw, S.M, Harrison, S.C. | | Deposit date: | 2020-12-30 | | Release date: | 2021-02-10 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Ctf3/CENP-I provides a docking site for the desumoylase Ulp2 at the kinetochore.
J.Cell Biol., 220, 2021
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7KJ8
 | | Wild-type epi-isozizaene synthase: complex with 3 Mg2+ and pamidronate | | Descriptor: | MAGNESIUM ION, PAMIDRONATE, SULFATE ION, ... | | Authors: | Ronnebaum, T.A, Gardner, S.M, Christianson, D.W. | | Deposit date: | 2020-10-26 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
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2AR9
 | | Crystal structure of a dimeric caspase-9 | | Descriptor: | Caspase-9, D-MALATE | | Authors: | Chao, Y, Shiozaki, E.N, Srinivassula, S.M, Rigotti, D.J, Fairman, R, Shi, Y. | | Deposit date: | 2005-08-19 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Engineering a Dimeric Caspase-9: A Re-Evaluation of the Induced Proximity Model for Caspase Activation
PLOS BIOL., 3, 2005
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2AXP
 | | X-Ray Crystal Structure of Protein BSU20280 from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR256. | | Descriptor: | hypothetical protein BSU20280 | | Authors: | Forouhar, F, Abashidze, M, Friedman, D, Vorobiev, S.M, Kuzin, A.P, Ciao, M, Conover, K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-09-05 | | Release date: | 2005-09-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the Hypothetical Protein BSU20280 from Bacillus subtilis, NESG target SR256
To be Published
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2B19
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7KHD
 | | Human GITR-GITRL complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18 | | Authors: | Wang, F, Chau, B, West, S.M, Strop, P. | | Deposit date: | 2020-10-21 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.956102 Å) | | Cite: | Structures of mouse and human GITR-GITRL complexes reveal unique TNF superfamily interactions.
Nat Commun, 12, 2021
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2AZE
 | | Structure of the Rb C-terminal domain bound to an E2F1-DP1 heterodimer | | Descriptor: | Retinoblastoma-associated protein, Transcription factor Dp-1, Transcription factor E2F1 | | Authors: | Rubin, S.M, Gall, A.L, Zheng, N, Pavletich, N.P. | | Deposit date: | 2005-09-10 | | Release date: | 2006-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure of the Rb C-terminal domain bound to E2F1-DP1: a mechanism for phosphorylation-induced E2F release.
Cell(Cambridge,Mass.), 123, 2005
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7KHX
 | | Mouse GITR-GITRL complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, ... | | Authors: | Wang, F, Chau, B, West, S.M, Strop, P. | | Deposit date: | 2020-10-22 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.20569849 Å) | | Cite: | Structures of mouse and human GITR-GITRL complexes reveal unique TNF superfamily interactions.
Nat Commun, 12, 2021
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1ZTR
 | | Solution structure of Engrailed homeodomain L16A mutant | | Descriptor: | Segmentation polarity homeobox protein engrailed | | Authors: | Religa, T.L, Markson, J.S, Mayor, U, Freund, S.M.V, Fersht, A.R. | | Deposit date: | 2005-05-27 | | Release date: | 2005-10-18 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a protein denatured state and folding intermediate.
Nature, 437, 2005
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4A39
 | | Metallo-carboxypeptidase from Pseudomonas Aeruginosa in complex with (2-guanidinoethylmercapto)succinic acid | | Descriptor: | (2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACID, METALLO-CARBOXYPEPTIDASE, ZINC ION | | Authors: | Otero, A, Rodriguez de la Vega, M, Tanco, S.M, Lorenzo, J, Aviles, F.X, Reverter, D. | | Deposit date: | 2011-09-30 | | Release date: | 2012-05-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Novel Structure of a Cytosolic M14 Metallocarboxypeptidase (Ccp) from Pseudomonas Aeruginosa: A Model for Mammalian Ccps.
Faseb J., 26, 2012
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7KRR
 | | Structural impact on SARS-CoV-2 spike protein by D614G substitution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Lu, J.M, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Zhu, H.S, Woosley, A.N, Yang, W, Sliz, P, Chen, B. | | Deposit date: | 2020-11-20 | | Release date: | 2021-03-24 | | Last modified: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural impact on SARS-CoV-2 spike protein by D614G substitution.
Science, 372, 2021
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7KRS
 | | Structural impact on SARS-CoV-2 spike protein by D614G substitution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Lu, J.M, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Zhu, H.S, Woosley, A.N, Yang, W, Sliz, P, Chen, B. | | Deposit date: | 2020-11-20 | | Release date: | 2021-03-24 | | Last modified: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural impact on SARS-CoV-2 spike protein by D614G substitution.
Science, 372, 2021
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7KRQ
 | | Structural impact on SARS-CoV-2 spike protein by D614G substitution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Lu, J.M, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Zhu, H.S, Woosley, A.N, Yang, W, Sliz, P, Chen, B. | | Deposit date: | 2020-11-20 | | Release date: | 2021-03-31 | | Last modified: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Structural impact on SARS-CoV-2 spike protein by D614G substitution.
Science, 372, 2021
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2A93
 | | NMR SOLUTION STRUCTURE OF THE C-MYC-MAX HETERODIMERIC LEUCINE ZIPPER, 40 STRUCTURES | | Descriptor: | C-MYC-MAX HETERODIMERIC LEUCINE ZIPPER | | Authors: | Lavigne, P, Crump, M.P, Gagne, S.M, Hodges, R.S, Kay, C.M, Sykes, B.D. | | Deposit date: | 1998-06-09 | | Release date: | 1999-01-27 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Insights into the mechanism of heterodimerization from the 1H-NMR solution structure of the c-Myc-Max heterodimeric leucine zipper.
J.Mol.Biol., 281, 1998
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6YS8
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6Y5C
 | | The crystal structure of glycogen phosphorylase in complex with 52 | | Descriptor: | 2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form | | Authors: | Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2020-02-25 | | Release date: | 2020-08-19 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors.
Bioorg.Chem., 102, 2020
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1ZQ7
 | | X-Ray Crystal Structure of Protein Q8PZK8 from Methanosarcina mazei. Northeast Structural Genomics Consortium Target MaR9. | | Descriptor: | Hypothetical protein MM0484 | | Authors: | Kuzin, A.P, Abashidze, M, Vorobiev, S.M, Yong, W, Xiao, R, Ma, L.-C, Acton, T, Montelione, G.T, Tong, L, Hunt, J, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-05-18 | | Release date: | 2005-05-31 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | X-Ray structure of the hypothetical protein Q8PZK8 from Methanosarcina mazei at the resolution 2.1A. Northeast Structural Genomics Consortium target MaR9.
To be Published
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2BJQ
 | | Crystal structure of the nematode sperm cell motility protein MFP2 | | Descriptor: | MFP2A | | Authors: | Grant, R.P, Buttery, S.M, Ekman, G.C, Roberts, T.M, Stewart, M. | | Deposit date: | 2005-02-07 | | Release date: | 2005-03-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of Mfp2 and its Function in Enhancing Msp Polymerization in Ascaris Sperm Amoeboid Motility
J.Mol.Biol., 347, 2005
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2BY1
 | | Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ... | | Authors: | Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M. | | Deposit date: | 2005-07-28 | | Release date: | 2006-02-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
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2BY2
 | | Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ... | | Authors: | Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M. | | Deposit date: | 2005-07-28 | | Release date: | 2006-02-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
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4CE3
 | | Hsp90 N-terminal domain bound to macrolactam analogues of radicicol. | | Descriptor: | 13-Chloro-14,16-dihydroxy-2-methyl-2,3,4,5,9,10-hexahydrobenz[c][1]azacyclotetradecine-1,11(8H,12H)-dione, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | | Authors: | Roe, S.M, Parry-Morris, S, Prodromou, C. | | Deposit date: | 2013-11-08 | | Release date: | 2014-01-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Synthesis of Macrolactam Analogues of Radicicol and Their Binding to Heat Shock Protein Hsp90.
Org.Biomol.Chem., 12, 2014
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