2A4G
 
 | | Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound | | Descriptor: | ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER, NS3 protease/helicase, NS4a peptide, ... | | Authors: | Arasappan, A, Njoroge, F.G, Chan, T.Y, Bennett, F, Bogen, S.L, Chen, K, Gu, H, Hong, L, Jao, E, Liu, Y.T, Lovey, R.G, Parekh, T, Pike, R.E, Pinto, P, Santhanam, B, Venkatraman, S, Vaccaro, H, Wang, H, Yang, X, Zhu, Z, Mckittrick, B, Saksena, A.K, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Ingram, R, Malcolm, B, Prongay, A.J, Yao, N, Marten, B, Madison, V, Kemp, S, Levy, O, Lim-Wilby, M, Tamura, S, Ganguly, A.K. | | Deposit date: | 2005-06-28 | | Release date: | 2006-07-04 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
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2L4O
 | | Solution structure of the Streptococcus pneumoniae RrgB pilus backbone D1 domain | | Descriptor: | Cell wall surface anchor family protein | | Authors: | Gentile, M.A, Melchiorre, S, Emolo, C, Moschioni, M, Gianfaldoni, C, Pancotto, L, Ferlenghi, I, Scarselli, M, Pansegrau, W, Veggi, D, Merola, M, Cantini, F, Ruggiero, P, Banci, L, Masignani, V. | | Deposit date: | 2010-10-11 | | Release date: | 2011-03-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Streptococcus pneumoniae RrgB pilus backbone D1 domain: in vivo protection and implications for the molecular mechanisms of pilus polymerization
To be Published
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6V08
 | | Crystal structure of human recombinant Beta-2 glycoprotein I (hrB2GPI) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-glycoprotein 1, SULFATE ION, ... | | Authors: | Chen, Z, Ruben, E.A, Planer, W, Chinnaraj, M, Zuo, X, Pengo, V, Macor, P, Tedesco, F, Pozzi, N. | | Deposit date: | 2019-11-18 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | The J-elongated conformation of beta2-glycoprotein I predominates in solution: implications for our understanding of antiphospholipid syndrome.
J.Biol.Chem., 295, 2020
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6M3P
 | | Crystal structure of AnkG/beta2-spectrin complex | | Descriptor: | Ankyrin-3, Spectrin beta chain, non-erythrocytic 1 | | Authors: | Li, J, Chen, K, Zhu, R, Zhang, M. | | Deposit date: | 2020-03-04 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.312 Å) | | Cite: | Structural Basis Underlying Strong Interactions between Ankyrins and Spectrins.
J.Mol.Biol., 432, 2020
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6V9S
 | | Structure-based development of subtype-selective orexin 1 receptor antagonists | | Descriptor: | CHOLESTEROL, OLEIC ACID, Orexin receptor type 1,GlgA glycogen synthase chimera, ... | | Authors: | Hellmann, J, Drabek, M, Yin, J, Huebner, H, Kraus, F, Proell, T, Weikert, D, Kolb, P, Rosenbaum, D.M, Gmeiner, P. | | Deposit date: | 2019-12-16 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure-based development of a subtype-selective orexin 1 receptor antagonist.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6J53
 | | Crystal structure of human HINT1 complexing with ATP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | | Authors: | Wang, J, Fang, P, Guo, M. | | Deposit date: | 2019-01-10 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
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6VBX
 | | Crystal structure of Mcl-1 in complex with 138E12 peptide, Lys-covalent antagonist | | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, Synthetic peptide | | Authors: | Pellecchia, M, Perry, J.J, Kenjic, N, Assar, Z. | | Deposit date: | 2019-12-19 | | Release date: | 2020-12-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design, Synthesis, and Structural Characterization of Lysine Covalent BH3 Peptides Targeting Mcl-1.
J.Med.Chem., 64, 2021
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6FAT
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6VC6
 | | 2.1 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Gut Microorganisms in Complex with NAD and Mn2+ | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, 6-phospho-alpha-glucosidase, GLYCEROL, ... | | Authors: | Wu, R, Kim, Y, Endres, M, Joachimiak, J. | | Deposit date: | 2019-12-20 | | Release date: | 2020-12-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.133 Å) | | Cite: | 2.1 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Gut Microorganisms in Complex with NAD and Mn2+
To Be Published
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2QKU
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5UG2
 | | CcP gateless cavity | | Descriptor: | 6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | | Authors: | Stein, R.M, Fischer, M, Shoichet, B.K. | | Deposit date: | 2017-01-06 | | Release date: | 2017-02-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6VCW
 | | Crystal structure of Medicago truncatula S-adenosylmethionine Synthase 3A (MtMAT3A) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Sekula, B, Ruszkowski, M, Dauter, Z. | | Deposit date: | 2019-12-23 | | Release date: | 2020-02-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | S-adenosylmethionine synthases in plants: Structural characterization of type I and II isoenzymes from Arabidopsis thaliana and Medicago truncatula.
Int.J.Biol.Macromol., 151, 2020
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6J58
 | | Crystal structure of human HINT1 complexing with AP4A | | Descriptor: | ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | | Authors: | Wang, J, Fang, P, Guo, M. | | Deposit date: | 2019-01-10 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.521 Å) | | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
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6M8Y
 | | PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR AIPF | | Descriptor: | AIPF PEPTIDE INHIBITOR, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K. | | Deposit date: | 2018-08-22 | | Release date: | 2018-10-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase
Biochemistry, 40, 2001
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6MAT
 | | Cryo-EM structure of the essential ribosome assembly AAA-ATPase Rix7 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Rix7 mutant, unknown protein | | Authors: | Lo, Y.H, Sobhany, M, Hsu, A.L, Ford, B.L, Krahn, J.M, Borgnia, M.J, Stanley, R.E. | | Deposit date: | 2018-08-28 | | Release date: | 2019-02-06 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Cryo-EM structure of the essential ribosome assembly AAA-ATPase Rix7.
Nat Commun, 10, 2019
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6MBX
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6V6N
 | | The crystal structure of a class D beta-lactamase from Agrobacterium tumefaciens | | Descriptor: | Beta-lactamase, FORMIC ACID, GLYCEROL, ... | | Authors: | Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-12-05 | | Release date: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The crystal structure of a class D beta-lactamase from Agrobacterium tumefaciens
To Be Published
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6VHA
 | | Singlet Tau Fibril from Corticobasal Degeneration Human Brain Tissue | | Descriptor: | Microtubule-associated protein tau | | Authors: | Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P. | | Deposit date: | 2020-01-09 | | Release date: | 2020-03-04 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains.
Cell, 180, 2020
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6MDN
 | | The 20S supercomplex engaging the SNAP-25 N-terminus (class 2) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Alpha-soluble NSF attachment protein, ... | | Authors: | White, K.I, Zhao, M, Brunger, A.T. | | Deposit date: | 2018-09-04 | | Release date: | 2018-09-19 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structural principles of SNARE complex recognition by the AAA+ protein NSF.
Elife, 7, 2018
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6MFO
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7KPP
 | | Structure of the E102A mutant of a GNAT superfamily PA3944 acetyltransferase | | Descriptor: | 1,2-ETHANEDIOL, Acetyltransferase PA3944, COENZYME A, ... | | Authors: | Czub, M.P, Porebski, P.J, Majorek, K.A, Cymborowski, M, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-11-12 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Gcn5-Related N- Acetyltransferases (GNATs) With a Catalytic Serine Residue Can Play Ping-Pong Too.
Front Mol Biosci, 8, 2021
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6M4D
 | | Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2 | | Descriptor: | DNA (125-MER), Histone H2A.V, Histone H2B type 2-E, ... | | Authors: | Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q. | | Deposit date: | 2020-03-06 | | Release date: | 2020-09-23 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2.
Embo J., 40, 2021
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1WDJ
 | | Crystal structure of TT1808 from Thermus thermophilus HB8 | | Descriptor: | hypothetical protein TT1808 | | Authors: | Idaka, M, Wada, T, Murayama, K, Terada, T, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-05-17 | | Release date: | 2004-11-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure Of TT1808 From Thermus Thermophilus HB8
To be published
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7KPS
 | | Structure of a GNAT superfamily PA3944 acetyltransferase in complex with AcCoA | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL COENZYME *A, ... | | Authors: | Czub, M.P, Porebski, P.J, Cymborowski, M, Reidl, C.T, Becker, D.P, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-11-12 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Gcn5-Related N- Acetyltransferases (GNATs) With a Catalytic Serine Residue Can Play Ping-Pong Too.
Front Mol Biosci, 8, 2021
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2LLK
 | | Solution NMR structure of the N-terminal myb-like 1 domain of the human cyclin-D-binding transcription factor 1 (hDMP1), Northeast Structural Genomics Consortium (NESG) target ID hr8011a | | Descriptor: | Cyclin-D-binding Myb-like transcription factor 1 | | Authors: | Montecchio, M, Lemak, A, Yee, A, Xu, C, Garcia, M, Houliston, S, Min, J, Bellanda, M, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC) | | Deposit date: | 2011-11-10 | | Release date: | 2011-11-23 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of the N-terminal myb-like 1 domain of the human cyclin D binding transcription factor 1 (hDMP1).
To be Published
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