5MNX
 
 | | Neutron structure of cationic trypsin in complex with 2-aminopyridine | | Descriptor: | 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-13 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | NEUTRON DIFFRACTION (1.42 Å) | | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5MOO
 | | Joint X-ray/neutron structure of cationic trypsin in complex with aniline | | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-14 | | Release date: | 2017-05-24 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (1.441 Å), X-RAY DIFFRACTION | | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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1D6V
 | | CONFORMATION EFFECTS IN BIOLOGICAL CATALYSIS INTRODUCED BY OXY-COPE ANTIBODY MATURATION | | Descriptor: | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL, CADMIUM ION, CHIMERIC GERMLINE PRECURSOR OF OXY-COPE CATALYTIC ANTIBODY AZ-28 (HEAVY CHAIN), ... | | Authors: | Mundorff, E.C, Hanson, M.A, Schultz, P.G, Stevens, R.C. | | Deposit date: | 1999-10-15 | | Release date: | 2000-02-09 | | Last modified: | 2017-06-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational effects in biological catalysis: an antibody-catalyzed oxy-cope rearrangement.
Biochemistry, 39, 2000
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4W50
 | | Structure of the EphA4 LBD in complex with peptide | | Descriptor: | 1,3-BUTANEDIOL, APY peptide, Ephrin type-A receptor 4, ... | | Authors: | Lechtenberg, B.C, Mace, P.D, Riedl, S.J. | | Deposit date: | 2014-08-16 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Development and Structural Analysis of a Nanomolar Cyclic Peptide Antagonist for the EphA4 Receptor.
Acs Chem.Biol., 9, 2014
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8DAF
 | | Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid | | Descriptor: | 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ... | | Authors: | D'Agostino, E.H, Cato, M.L, Ortlund, E.A. | | Deposit date: | 2022-06-13 | | Release date: | 2023-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators.
J.Biol.Chem., 299, 2023
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8TNR
 | | Cryo-EM structure of DDB1dB:CRBN:PT-179:SD40, conformation 2 | | Descriptor: | 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione, DNA damage-binding protein 1, Maltose/maltodextrin-binding periplasmic protein,SD40, ... | | Authors: | Roy Burman, S.S, Hunkeler, M, Fischer, E.S. | | Deposit date: | 2023-08-02 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Continuous evolution of compact protein degradation tags regulated by selective molecular glues.
Science, 383, 2024
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8TNP
 | | Cryo-EM structure of DDB1dB:CRBN:Pomalidomide:SD40 | | Descriptor: | DNA damage-binding protein 1, Maltose/maltodextrin-binding periplasmic protein,SD40, Protein cereblon, ... | | Authors: | Roy Burman, S.S, Hunkeler, M, Fischer, E.S. | | Deposit date: | 2023-08-02 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Continuous evolution of compact protein degradation tags regulated by selective molecular glues.
Science, 383, 2024
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8TNQ
 | | Cryo-EM structure of DDB1dB:CRBN:PT-179:SD40, conformation 1 | | Descriptor: | 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione, DNA damage-binding protein 1, Maltose/maltodextrin-binding periplasmic protein,SD40, ... | | Authors: | Roy Burman, S.S, Hunkeler, M, Fischer, E.S. | | Deposit date: | 2023-08-02 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (2.41 Å) | | Cite: | Continuous evolution of compact protein degradation tags regulated by selective molecular glues.
Science, 383, 2024
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8U3Z
 | | Model of TTLL6 bound to microtubule from composite map | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Mahalingan, K.K, Grotjahn, D, Li, Y, Lander, G.C, Zehr, E.A, Roll-Mecak, A. | | Deposit date: | 2023-09-08 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis for alpha-tubulin-specific and modification state-dependent glutamylation.
Nat.Chem.Biol., 2024
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8I9I
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7ZUB
 | | Cryo-EM structure of the indirubin-bound Hsp90-XAP2-AHR complex | | Descriptor: | (3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one, ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, ... | | Authors: | Gruszczyk, J, Savva, C.G, Lai-Kee-Him, J, Bous, J, Ancelin, A, Kwong, H.S, Grandvuillemin, L, Bourguet, W. | | Deposit date: | 2022-05-12 | | Release date: | 2022-11-23 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Cryo-EM structure of the agonist-bound Hsp90-XAP2-AHR cytosolic complex.
Nat Commun, 13, 2022
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4HWT
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5MNB
 | | Cationic trypsin in complex with 2-aminopyridine (deuterated sample at 295 K) | | Descriptor: | 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2016-12-13 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.939 Å) | | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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8VJ7
 | | GluA2 bound to GYKI-52466 and Glutamate, Inhibited State 2 | | Descriptor: | 4-[(5S,8R)-8-methyl-6,7,8,9-tetrahydro-2H,5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]aniline, GLUTAMIC ACID, Isoform Flip of Glutamate receptor 2 | | Authors: | Hale, W.D, Montano Romero, A, Huganir, R.L, Twomey, E.C. | | Deposit date: | 2024-01-05 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.85 Å) | | Cite: | Allosteric competition and inhibition in AMPA receptors.
Nat.Struct.Mol.Biol., 2024
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8VJ6
 | | GluA2 bound to GYKI-52466 and Glutamate, Inhibited State 1 | | Descriptor: | 4-[(5S,8R)-8-methyl-6,7,8,9-tetrahydro-2H,5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]aniline, Isoform Flip of Glutamate receptor 2 | | Authors: | Hale, W.D, Montano Romero, A, Huganir, R.L, Twomey, E.C. | | Deposit date: | 2024-01-05 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Allosteric competition and inhibition in AMPA receptors.
Nat.Struct.Mol.Biol., 2024
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1OIO
 | | GafD (F17c-type) Fimbrial adhesin from Escherichia coli | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FIMBRIAL LECTIN | | Authors: | Merckel, M.C, Tanskanen, J, Edelman, S, Westerlund-Wikstrom, B, Korhonen, T.K, Goldman, A. | | Deposit date: | 2003-06-22 | | Release date: | 2003-08-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Structural Basis of Receptor-Binding by Escherichia Coli Associated with Diarrhea and Septicemia
J.Mol.Biol., 331, 2003
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8QAY
 | | Medicago truncatula HISN5 (IGPD) in complex with MN, FMT, ACT, CIT, EDO, SO4 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CITRIC ACID, ... | | Authors: | Witek, W, Ruszkowski, M. | | Deposit date: | 2023-08-23 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Targeting imidazole-glycerol phosphate dehydratase in plants: novel approach for structural and functional studies, and inhibitor blueprinting.
Front Plant Sci, 15, 2024
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8QAV
 | | Medicago truncatula HISN5 (IGPD) in complex with MN and IG2 | | Descriptor: | (2S,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate, Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION | | Authors: | Witek, W, Ruszkowski, M. | | Deposit date: | 2023-08-23 | | Release date: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (2.23 Å) | | Cite: | Targeting imidazole-glycerol phosphate dehydratase in plants: novel approach for structural and functional studies, and inhibitor blueprinting.
Front Plant Sci, 15, 2024
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4MXW
 | | Structure of heterotrimeric lymphotoxin LTa1b2 bound to lymphotoxin beta receptor LTbR and anti-LTa Fab | | Descriptor: | Lymphotoxin-alpha, Lymphotoxin-beta, Tumor necrosis factor receptor superfamily member 3, ... | | Authors: | Sudhamsu, J, Yin, J.P, Hymowitz, S.G. | | Deposit date: | 2013-09-26 | | Release date: | 2013-11-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Dimerization of LT beta R by LT alpha 1 beta 2 is necessary and sufficient for signal transduction.
Proc.Natl.Acad.Sci.USA, 110, 2013
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7LP4
 | | Structure of Nedd4L WW3 domain | | Descriptor: | E3 ubiquitin-protein ligase NEDD4-like | | Authors: | Alam, S.L, Alian, A, Thompson, T, Rheinemann, L, Volkman, B.F, Peterson, F.C, Sundquist, W.I. | | Deposit date: | 2021-02-11 | | Release date: | 2021-07-28 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Interactions between AMOT PPxY motifs and NEDD4L WW domains function in HIV-1 release.
J.Biol.Chem., 297, 2021
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7A1E
 | | LppS with covalent adduct derived from 1c | | Descriptor: | ACETATE ION, L,D-transpeptidase 2, phenylmethanethiol | | Authors: | Schnell, R, Steiner, E.M. | | Deposit date: | 2020-08-12 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
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3DN1
 | | Chloropentafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant | | Descriptor: | 1-chloro-2,3,4,5,6-pentafluorobenzene, 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, ... | | Authors: | Liu, L, Matthews, B.W. | | Deposit date: | 2008-07-01 | | Release date: | 2008-11-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding.
J.Mol.Biol., 385, 2009
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4EQ4
 | | Crystal structure of seleno-methionine derivatized GH3.12 | | Descriptor: | 2-HYDROXYBENZOIC ACID, 4-substituted benzoates-glutamate ligase GH3.12, ADENOSINE MONOPHOSPHATE | | Authors: | Zubieta, C, Nanao, M, Jez, J, Westfall, C, Kapp, U. | | Deposit date: | 2012-04-18 | | Release date: | 2012-06-20 | | Last modified: | 2012-07-25 | | Method: | X-RAY DIFFRACTION (2.074 Å) | | Cite: | Structural basis for prereceptor modulation of plant hormones by GH3 proteins.
Science, 336, 2012
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8DSO
 | | Structure of cIAP1, BTK and BCCov | | Descriptor: | (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide bound form, Baculoviral IAP repeat-containing protein 2, Tyrosine-protein kinase BTK, ... | | Authors: | Schiemer, J.S, Calabrese, M.F. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.334 Å) | | Cite: | A covalent BTK ternary complex compatible with targeted protein degradation.
Nat Commun, 14, 2023
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4EI2
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