1J7O
 
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2YP8
 | | Haemagglutinin of 2005 Human H3N2 Virus in Complex with Human Receptor Analogue 6SLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Xiong, X, Lin, Y.P, Wharton, S.A, Martin, S.R, Coombs, P.J, Vachieri, S.G, Christodoulou, E, Walker, P.A, Liu, J, Skehel, J.J, Gamblin, S.J, Hay, A.J, Daniels, R.S, McCauley, J.W. | | Deposit date: | 2012-10-29 | | Release date: | 2012-11-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evolution of the Receptor Binding Properties of the Influenza A(H3N2) Hemagglutinin.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2BKT
 | | crystal structure of renin-pf00257567 complex | | Descriptor: | 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-PHENYL}-6-(1,2,,3,4-TETRAHYDRO-QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-2-ONE, RENIN | | Authors: | Powell, N.A, Clay, E.H, Holsworth, D.D, Edmunds, J.J, Bryant, J.W, Ryan, J.M, Jalaie, M, Zhang, E. | | Deposit date: | 2005-02-18 | | Release date: | 2006-04-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
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6E0O
 | | Structure of Elizabethkingia meningoseptica CdnE cyclic dinucleotide synthase with pppA[3'-5']pA | | Descriptor: | MAGNESIUM ION, RNA (5'-D(*(ATP))-R(P*A)-3'), cGAS/DncV-like nucleotidyltransferase in E. coli homolog | | Authors: | Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J. | | Deposit date: | 2018-07-06 | | Release date: | 2019-02-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Bacterial cGAS-like enzymes synthesize diverse nucleotide signals.
Nature, 567, 2019
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7NEV
 | | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2021-02-05 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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2BWO
 | | 5-Aminolevulinate Synthase from Rhodobacter capsulatus in complex with succinyl-CoA | | Descriptor: | 5-AMINOLEVULINATE SYNTHASE, PYRIDOXAL-5'-PHOSPHATE, SUCCINYL-COENZYME A | | Authors: | Astner, I, Schulze, J.O, van den Heuvel, J.J, Jahn, D, Schubert, W.-D, Heinz, D.W. | | Deposit date: | 2005-07-15 | | Release date: | 2005-09-27 | | Last modified: | 2015-12-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of 5-Aminolevulinate Synthase, the First Enzyme of Heme Biosynthesis, and its Link to Xlsa in Humans.
Embo J., 24, 2005
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6AC7
 | | Structure of a (3+1) hybrid G-quadruplex in the PARP1 promoter | | Descriptor: | 5'-D(*TP*GP*GP*GP*GP*TP*CP*CP*GP*AP*GP*GP*CP*GP*GP*GP*GP*CP*TP*TP*GP*GP*G)-3' | | Authors: | Sengar, A, Vandana, J.J, Chambers, V.S, Di Antonio, M, Winnerdy, F.R, Balasubramanian, S, Phan, A.T. | | Deposit date: | 2018-07-25 | | Release date: | 2019-02-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of a (3+1) hybrid G-quadruplex in the PARP1 promoter.
Nucleic Acids Res., 47, 2019
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6A95
 | | Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana bound with tetrodotoxin and Dc1a | | Descriptor: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N. | | Deposit date: | 2018-07-11 | | Release date: | 2018-08-08 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural basis for the modulation of voltage-gated sodium channels by animal toxins.
Science, 362, 2018
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6A91
 | | Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana bound with saxitoxin and Dc1a | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N. | | Deposit date: | 2018-07-11 | | Release date: | 2018-08-08 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for the modulation of voltage-gated sodium channels by animal toxins.
Science, 362, 2018
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2CFH
 | | Structure of the Bet3-TPC6B core of TRAPP | | Descriptor: | PALMITIC ACID, TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 3, TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 6B | | Authors: | Kummel, D, Muller, J.J, Roske, Y, Henke, N, Heinemann, U. | | Deposit date: | 2006-02-21 | | Release date: | 2006-07-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Bet3-Tpc6B Core of Trapp: Two Tpc6 Paralogs Form Trimeric Complexes with Bet3 and Mum2.
J.Mol.Biol., 361, 2006
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6UJV
 | | Model of the HIV-1 gp41 membrane-proximal external region, transmembrane domain and cytoplasmic tail (LLP2) | | Descriptor: | Envelope glycoprotein GP41 | | Authors: | Piai, A, Fu, Q, Cai, Y, Ghantous, F, Xiao, T, Shaik, M.M, Peng, H, Rits-Volloch, S, Liu, Z, Chen, W, Seaman, M.S, Chen, B, Chou, J.J. | | Deposit date: | 2019-10-03 | | Release date: | 2020-05-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural basis of transmembrane coupling of the HIV-1 envelope glycoprotein.
Nat Commun, 11, 2020
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2ZIX
 | | Crystal structure of the Mus81-Eme1 complex | | Descriptor: | Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81 | | Authors: | Chang, J.H, Kim, J.J, Choi, J.M, Lee, J.H, Cho, Y. | | Deposit date: | 2008-02-25 | | Release date: | 2008-04-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Crystal structure of the Mus81-Eme1 complex
Genes Dev., 22, 2008
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1J7P
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5IAB
 | | Caspase 3 V266D | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASK, Caspase-3 | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-21 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6AHC
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2RD2
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4LVZ
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6E8W
 | | MPER-TM Domain of HIV-1 envelope glycoprotein (Env) | | Descriptor: | Envelope glycoprotein gp160 | | Authors: | Fu, Q, Shaik, M.M, Cai, Y, Ghantous, F, Piai, A, Peng, H, Rits-Volloch, S, Liu, Z, Harrison, S.C, Seaman, M.S, Chen, B, Chou, J.J. | | Deposit date: | 2018-07-31 | | Release date: | 2018-09-05 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the membrane proximal external region of HIV-1 envelope glycoprotein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5ITB
 | | Crystal structure of the anti-RSV F Fab 14N4 | | Descriptor: | anti-RSV F Fab 14N4 Heavy chain, anti-RSV F Fab 14N4 Light chain | | Authors: | Mousa, J.J, Crowe, J.E. | | Deposit date: | 2016-03-16 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for nonneutralizing antibody competition at antigenic site II of the respiratory syncytial virus fusion protein.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5I9B
 | | Caspase 3 V266A | | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-19 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4LVY
 | | Structure of the THF riboswitch bound to pemetrexed | | Descriptor: | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, THF riboswitch | | Authors: | Trausch, J.J, Batey, R.T. | | Deposit date: | 2013-07-26 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
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5IBC
 | | Caspase 3 V266I | | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-22 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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1JA0
 | | CYPOR-W677X | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Hubbard, P.A, Shen, A.L, Paschke, R, Kasper, C.B, Kim, J.J. | | Deposit date: | 2001-05-29 | | Release date: | 2001-08-22 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | NADPH-cytochrome P450 oxidoreductase. Structural basis for hydride and electron transfer.
J.Biol.Chem., 276, 2001
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5IBP
 | | Caspase 3 V266M | | Descriptor: | ACE-ASP-GLU-VAL-ASK, AZIDE ION, Caspase-3 | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-22 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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2BE1
 | | Structure of the compact lumenal domain of yeast Ire1 | | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1, peptide | | Authors: | Credle, J.J, Finer-Moore, J.S, Papa, F.R, Stroud, R.M, Walter, P. | | Deposit date: | 2005-10-21 | | Release date: | 2005-12-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.983 Å) | | Cite: | Inaugural Article: On the mechanism of sensing unfolded protein in the endoplasmic reticulum
Proc.Natl.Acad.Sci.Usa, 102, 2005
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