9ATH
 
 | | Crystal structure of MERS 3CL protease in complex with a methylbicyclo[2.2.1]heptene 2-pyrrolidone inhibitor | | Descriptor: | (1R,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2024-02-26 | | Release date: | 2024-07-10 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 67, 2024
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8VZP
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-403 | | Descriptor: | (1S,2R,4S)-N-(2-hydroxyethyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor | | Authors: | Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2024-02-12 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8YIE
 | | Crystal structure of GH13_30 alpha-glucosidase CmmB in complex with acarbose | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-glucosidase | | Authors: | Saburi, W, Tagami, T, Yu, J, Ose, T, Yao, M, Mori, H. | | Deposit date: | 2024-02-29 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular mechanism for the substrate specificity of Arthrobacter globiformis M6 alpha-glucosidase CmmB, belonging to glycoside hydrolase family 13 subfamily 30
Food Biosci, 61, 2024
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4W8B
 | | Crystal structure of XEG5B, a GH5 xyloglucan-specific beta-1,4-glucanase from ruminal metagenomic library, in complex with XXLG | | Descriptor: | Exo-xyloglucanase, GLYCEROL, SULFATE ION, ... | | Authors: | Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T. | | Deposit date: | 2014-08-22 | | Release date: | 2015-03-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Biochemistry, 54, 2015
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6O9J
 | | 70S Elongation Competent Ribosome | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Frank, J, Gonzalez Jr, R.L, Kaledhonkar, S, Fu, Z, Caban, K, Li, W, Chen, B, Sun, M. | | Deposit date: | 2019-03-14 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Late steps in bacterial translation initiation visualized using time-resolved cryo-EM.
Nature, 570, 2019
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8VYT
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-411 | | Descriptor: | 4,4'-[(1R,4R,5S)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol, Estrogen receptor | | Authors: | Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2024-02-09 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu.
Proc.Natl.Acad.Sci.USA, 121, 2024
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3VIO
 | | Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with a new glucopyranosidic product | | Descriptor: | 3-{4-[2-(beta-D-glucopyranosyloxy)ethyl]piperazin-1-yl}propane-1-sulfonic acid, Beta-glucosidase, CHLORIDE ION, ... | | Authors: | Jeng, W.Y, Liu, C.I, Wang, A.H.J. | | Deposit date: | 2011-10-03 | | Release date: | 2012-07-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | High-resolution structures of Neotermes koshunensis beta-glucosidase mutants provide insights into the catalytic mechanism and the synthesis of glucoconjugates
Acta Crystallogr.,Sect.D, 68, 2012
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2QKK
 | | Human RNase H catalytic domain mutant D210N in complex with 14-mer RNA/DNA hybrid | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*GP*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*CP*G)-3', ... | | Authors: | Nowotny, M, Gaidamakov, S.A, Ghirlando, R, Cerritelli, S.M, Crouch, R.J, Yang, W. | | Deposit date: | 2007-07-11 | | Release date: | 2007-11-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of Human RNase H1 Complexed with an RNA/DNA Hybrid: Insight into HIV Reverse Transcription
Mol.Cell, 28, 2007
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6DHE
 | | RT XFEL structure of the dark-stable state of Photosystem II (0F, S1-rich) at 2.05 Angstrom resolution | | Descriptor: | (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | | Deposit date: | 2018-05-20 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
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8BEJ
 | | GABA-A receptor a5 homomer - a5V3 - APO | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5 | | Authors: | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y. | | Deposit date: | 2022-10-21 | | Release date: | 2023-11-01 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
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4WD7
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8BHM
 | | GABA-A receptor a5 homomer - a5V3 - DMCM | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate | | Authors: | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y. | | Deposit date: | 2022-10-31 | | Release date: | 2023-11-01 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
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8Z28
 | | FK506-binding protein 1B | | Descriptor: | peptidylprolyl isomerase | | Authors: | Liu, X.H, Zhao, W.H. | | Deposit date: | 2024-04-12 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | FK506-binding protein 1B
To Be Published
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1QZ7
 | | Beta-catenin binding domain of Axin in complex with beta-catenin | | Descriptor: | Axin, Beta-catenin | | Authors: | Xing, Y, Clements, W.K, Kimelman, D, Xu, W. | | Deposit date: | 2003-09-15 | | Release date: | 2003-11-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a beta-catenin/Axin complex suggests a mechanism for the {beta}-catenin destruction complex
GENES DEV., 17, 2003
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2QP2
 | | Structure of a MACPF/perforin-like protein | | Descriptor: | CALCIUM ION, Unknown protein | | Authors: | Rosado, C.J, Buckle, A.M, Law, R.H.P, Butcher, R.E, Kan, W.T, Bird, C.H, Ung, K, Browne, K.A, Baran, K, Bashtannyk-Puhalovich, T.A, Faux, N.G, Wong, W, Porter, C.J, Pike, R.N, Ellisdon, A.M, Pearce, M.C, Bottomley, S.P, Emsley, J, Smith, A.I, Rossjohn, J, Hartland, E.L, Voskoboinik, I, Trapani, J.A, Bird, P.I, Dunstone, M.A, Whisstock, J.C. | | Deposit date: | 2007-07-22 | | Release date: | 2007-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A common fold mediates vertebrate defense and bacterial attack
Science, 317, 2007
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2QQV
 | | Crystal structure of a cell-wall invertase (E203A) from Arabidopsis thaliana in complex with sucrose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-fructofuranosidase, ... | | Authors: | Lammens, W, Le Roy, K, Van Laere, A, Rabijns, A, Van den Ende, W. | | Deposit date: | 2007-07-27 | | Release date: | 2008-04-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Crystal structures of Arabidopsis thaliana cell-wall invertase mutants in complex with sucrose.
J.Mol.Biol., 377, 2008
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107L
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5XHZ
 | | Crystal Structure Analysis of CIN85-SH3B in complex with ARAP1-P2 | | Descriptor: | ACETATE ION, Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 1, ... | | Authors: | Liu, W, Yang, W. | | Deposit date: | 2017-04-25 | | Release date: | 2018-04-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.319 Å) | | Cite: | Biochemical and Structural Studies of the Interaction between ARAP1 and CIN85.
Biochemistry, 57, 2018
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7SD4
 | | SARS-CoV-2 Nucleocapsid N-terminal domain (N-NTD) protein | | Descriptor: | Nucleoprotein | | Authors: | Sarkar, S, Runge, B, Russell, R.W, Calero, D, Zeinalilathori, S, Quinn, C.M, Lu, M, Calero, G, Gronenborn, A.M, Polenova, T. | | Deposit date: | 2021-09-29 | | Release date: | 2022-06-08 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Atomic-Resolution Structure of SARS-CoV-2 Nucleocapsid Protein N-Terminal Domain.
J.Am.Chem.Soc., 144, 2022
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2LPD
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108L
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109L
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6OS0
 | | Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to angiotensin II | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensinogen, CHLORIDE ION, ... | | Authors: | Wingler, L.M, Staus, D.P, Skiba, M.A, McMahon, C, Kleinhenz, A.L.W, Lefkowitz, R.J, Kruse, A.C. | | Deposit date: | 2019-05-01 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Angiotensin and biased analogs induce structurally distinct active conformations within a GPCR.
Science, 367, 2020
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8BHB
 | | GABA-A receptor a5 homomer - a5V3 - RO154513 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, ethyl 8-[(azanylidene-$l^{4}-azanylidene)amino]-5-methyl-6-oxidanylidene-4~{H}-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate | | Authors: | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y, Wahid, A.A. | | Deposit date: | 2022-10-30 | | Release date: | 2023-11-01 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (2.54 Å) | | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
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8BHI
 | | GABA-A receptor a5 homomer - a5V3 - RO5211223 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, [1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-[6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone | | Authors: | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y. | | Deposit date: | 2022-10-31 | | Release date: | 2023-11-01 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (2.67 Å) | | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
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