6PJI
 
 | | HIV-1 Protease NL4-3 WT in Complex with LR3-43 | | Descriptor: | Protease NL4-3, SULFATE ION, methyl [(1S)-1-cyclopropyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-06-28 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
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6BGQ
 | | Caspase-3 Mutant - S150D | | Descriptor: | AZIDE ION, Ac-Asp-Glu-Val-Asp-CMK, CHLORIDE ION, ... | | Authors: | Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. | | Deposit date: | 2017-10-29 | | Release date: | 2018-02-21 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
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6BHA
 | | Caspase-3 Mutant - T152V | | Descriptor: | Ac-Asp-Glu-Val-Asp-CMK, Caspase-3 | | Authors: | Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. | | Deposit date: | 2017-10-30 | | Release date: | 2018-02-21 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (1.603 Å) | | Cite: | Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
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2X6W
 | | Tailspike protein mutant E372Q of E.coli bacteriophage HK620 in complex with hexasaccharide | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, TAIL SPIKE PROTEIN, ... | | Authors: | Lorenzen, N.K, Mueller, J.J, Heinemann, U, Seckler, R, Barbirz, S. | | Deposit date: | 2010-02-22 | | Release date: | 2011-03-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Single Amino Acid Exchange in Bacteriophage Hk620 Tailspike Protein Results in Thousand-Fold Increase of its Oligosaccharide Affinity.
Glycobiology, 23, 2013
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6BJF
 | | NMR Structural and biophysical functional analysis of intracellular loop 5 of the NHE1 isoform of the Na+/H+ exchanger. | | Descriptor: | GLY-LEU-THR-TRP-PHE-ILE-ASN-LYS-PHE-ARG-ILE-VAL-LYS | | Authors: | McKay, R, Wong, K, Towle, K, Fliegel, L. | | Deposit date: | 2017-11-06 | | Release date: | 2018-11-14 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Diverse residues of intracellular loop 5 of the Na+/H+exchanger modulate proton sensing, expression, activity and targeting.
Biochim Biophys Acta Biomembr, 1861, 2019
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6BJS
 | | CryoEM structure of E.coli his pause elongation complex without pause hairpin | | Descriptor: | DNA (32-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Kang, J.Y, Landick, R, Darst, S.A. | | Deposit date: | 2017-11-06 | | Release date: | 2018-03-28 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (5.5 Å) | | Cite: | RNA Polymerase Accommodates a Pause RNA Hairpin by Global Conformational Rearrangements that Prolong Pausing.
Mol. Cell, 69, 2018
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5FTA
 | | Crystal structure of the N-terminal BTB domain of human KCTD10 | | Descriptor: | BTB/POZ DOMAIN-CONTAINING ADAPTER FOR CUL3-MEDIATED RHOA DEGRADATION PROTEIN 3, MERCURY (II) ION | | Authors: | Pinkas, D.M, Sanvitale, C.E, Solcan, N, Goubin, S, Tallant, C, Newman, J.A, Kopec, J, Fitzpatrick, F, Talon, R, Collins, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2016-01-12 | | Release date: | 2016-02-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
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6BOG
 | | Crystal structure of RapA, a Swi2/Snf2 protein that recycles RNA polymerase during transcription | | Descriptor: | RNA polymerase-associated protein RapA, SULFATE ION | | Authors: | Shaw, G.X, Gan, J, Zhou, Y.N, Zhang, R, Joachimiak, A, Jin, D.J, Ji, X. | | Deposit date: | 2017-11-20 | | Release date: | 2017-12-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.205 Å) | | Cite: | Structure of RapA, a Swi2/Snf2 protein that recycles RNA polymerase during transcription.
Structure, 16, 2008
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6BQN
 | | Cryo-EM structure of ENaC | | Descriptor: | 10D4 fab, 7B1 fab, EGFP-SCNN1G chimera, ... | | Authors: | Noreng, S, Bharadwaj, A, Posert, R, Yoshioka, C, Baconguis, I. | | Deposit date: | 2017-11-28 | | Release date: | 2018-10-10 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of the human epithelial sodium channel by cryo-electron microscopy.
Elife, 7, 2018
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6P9X
 | | CRF1 Receptor Gs GPCR protein complex with CRF1 peptide | | Descriptor: | Corticoliberin, Corticotropin-releasing factor receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Belousoff, M.J, Liang, Y.L, Sexton, P, Danev, R. | | Deposit date: | 2019-06-10 | | Release date: | 2020-02-05 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | Toward a Structural Understanding of Class B GPCR Peptide Binding and Activation.
Mol.Cell, 77, 2020
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6BV7
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6BGG
 | | Solution NMR structures of the BRD3 ET domain in complex with a CHD4 peptide | | Descriptor: | Bromodomain-containing protein 3, CHD4 | | Authors: | Wai, D.C.C, Szyszka, T.N, Campbell, A.E, Kwong, C, Wilkinson-White, L, Silva, A.P.G, Low, J.K.K, Kwan, A.H, Gamsjaeger, R, Lu, B, Vakoc, C.R, Blobel, G.A, Mackay, J.P. | | Deposit date: | 2017-10-28 | | Release date: | 2018-03-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The BRD3 ET domain recognizes a short peptide motif through a mechanism that is conserved across chromatin remodelers and transcriptional regulators.
J. Biol. Chem., 293, 2018
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3G9Q
 | | Crystal structure of the FhuD fold-family BSU3320, a periplasmic binding protein component of a Fep/Fec-like ferrichrome ABC transporter from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR577A | | Descriptor: | Ferrichrome-binding protein | | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Janjua, H, Mao, L, Xiao, R, Ciccosanti, C, Foote, E.L, Lee, D, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-02-13 | | Release date: | 2009-03-03 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the FhuD fold-family BSU3320, a periplasmic binding protein component of a Fep/Fec-like ferrichrome ABC transporter from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR577A.
To be Published
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6BZ9
 | | Crystal structure of human caspase-1 in complex with Ac-FLTD-CMK | | Descriptor: | Ac-FLTD-CMK, Caspase-1, DI(HYDROXYETHYL)ETHER | | Authors: | Xiao, T.S, Yang, J, Liu, Z, Wang, C, Yang, R. | | Deposit date: | 2017-12-22 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.796 Å) | | Cite: | Mechanism of gasdermin D recognition by inflammatory caspases and their inhibition by a gasdermin D-derived peptide inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1VZU
 | | Roles of active site tryptophans in substrate binding and catalysis by ALPHA-1,3 GALACTOSYLTRANSFERASE | | Descriptor: | GLYCEROL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ... | | Authors: | Zhang, Y, Deshpande, A, Xie, Z, Natesh, R, Acharya, K.R, Brew, K. | | Deposit date: | 2004-05-27 | | Release date: | 2004-07-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Roles of active site tryptophans in substrate binding and catalysis by alpha-1,3 galactosyltransferase.
Glycobiology, 14, 2004
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6C0B
 | | Structural basis for recognition of frizzled proteins by Clostridium difficile toxin B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-2, MALONATE ION, ... | | Authors: | Chen, P, Lam, K, Jin, R. | | Deposit date: | 2017-12-28 | | Release date: | 2018-05-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for recognition of frizzled proteins byClostridium difficiletoxin B.
Science, 360, 2018
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6PCO
 | | Mechanism for regulation of DNA binding of Bordetella bronchiseptica BpsR by 6-hydroxynicotinic acid | | Descriptor: | 1,4-BUTANEDIOL, MarR-family transcriptional regulator | | Authors: | Booth, W.T, Davis, R.R, Deora, R, Hollis, T. | | Deposit date: | 2019-06-17 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural mechanism for regulation of DNA binding of BpsR, a Bordetella regulator of biofilm formation, by 6-hydroxynicotinic acid.
Plos One, 14, 2019
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6PJK
 | | HIV-1 Protease NL4-3 WT in Complex with LR3-29 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-isoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-06-28 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
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6PDV
 | | Cu-Carbonic Anhydrase II, A Nitrite Reductase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, Carbonic anhydrase 2, ... | | Authors: | Andring, J.T, McKenna, R. | | Deposit date: | 2019-06-19 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Structure and mechanism of copper-carbonic anhydrase II: a nitrite reductase.
Iucrj, 7, 2020
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2X6Y
 | | Tailspike protein mutant D339A of E.coli bacteriophage HK620 in complex with hexasaccharide | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, TAIL SPIKE PROTEIN, ... | | Authors: | Lorenzen, N.K, Mueller, J.J, Heinemann, U, Seckler, R, Barbirz, S. | | Deposit date: | 2010-02-22 | | Release date: | 2011-03-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Single Amino Acid Exchange in Bacteriophage Hk620 Tailspike Protein Results in Thousand-Fold Increase of its Oligosaccharide Affinity.
Glycobiology, 23, 2013
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6C1H
 | | High-Resolution Cryo-EM Structures of Actin-bound Myosin States Reveal the Mechanism of Myosin Force Sensing | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Mentes, A, Huehn, A, Liu, X, Zwolak, A, Dominguez, R, Shuman, H, Ostap, E.M, Sindelar, C.V. | | Deposit date: | 2018-01-04 | | Release date: | 2018-01-31 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | High-resolution cryo-EM structures of actin-bound myosin states reveal the mechanism of myosin force sensing.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6C2Y
 | | Human GRK2 in complex with Gbetagamma subunits and CCG257142 | | Descriptor: | (4R,5R,6S)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-N-(2H-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Bouley, R, Tesmer, J.J.G. | | Deposit date: | 2018-01-09 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Utilizing a structure-based docking approach to develop potent G protein-coupled receptor kinase (GRK) 2 and 5 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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6PFN
 | | Succinyl-CoA synthase from Francisella tularensis | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, COENZYME A, ... | | Authors: | Osipiuk, J, Maltseva, N, Jedrzejczak, R, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-06-21 | | Release date: | 2019-07-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Succinyl-CoA synthase from Francisella tularensis
to be published
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6BGK
 | | Caspase-3 Mutant- D9A,D28A,T152D | | Descriptor: | ACE-ASP-GLU-VAL-ASP-0QE, AZIDE ION, CHLORIDE ION, ... | | Authors: | Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. | | Deposit date: | 2017-10-28 | | Release date: | 2018-02-21 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
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6XM9
 | | Crystal structure of vanillin bound to Co-LSD4 from Sphingobium sp. strain SYK-6 | | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, ACETATE ION, COBALT (II) ION, ... | | Authors: | Kuatsjah, E, Chan, A.C, Katahira, R, Beckham, G.T, Murphy, M.E, Eltis, L.D. | | Deposit date: | 2020-06-29 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.651 Å) | | Cite: | Structural and functional analysis of lignostilbene dioxygenases from Sphingobium sp. SYK-6.
J.Biol.Chem., 296, 2021
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