8CBZ
 
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4VGC
 | | GAMMA-CHYMOTRYPSIN D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX | | Descriptor: | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION | | Authors: | Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F. | | Deposit date: | 1997-05-01 | | Release date: | 1997-11-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
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8C4P
 | | CdaA-compound 7 complex | | Descriptor: | CHLORIDE ION, Diadenylate cyclase, ~{N}-[5-(2-azanyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]ethanamide | | Authors: | Neumann, P, Ficner, R. | | Deposit date: | 2023-01-04 | | Release date: | 2023-06-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Computer-aided design of a cyclic di-AMP synthesizing enzyme CdaA inhibitor.
Microlife, 4, 2023
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4V8U
 | | Crystal Structure of 70S Ribosome with Both Cognate tRNAs in the E and P Sites Representing an Authentic Elongation Complex. | | Descriptor: | 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | | Authors: | Gao, Y.G, Feng, S, Chen, Y. | | Deposit date: | 2012-08-28 | | Release date: | 2014-07-09 | | Last modified: | 2019-10-30 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Crystal structure of 70S ribosome with both cognate tRNAs in the E and P sites representing an authentic elongation complex.
PLoS ONE, 8, 2013
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1ZRM
 | | CRYSTAL STRUCTURE OF THE REACTION INTERMEDIATE OF L-2-HALOACID DEHALOGENASE WITH 2-CHLORO-N-BUTYRATE | | Descriptor: | L-2-HALOACID DEHALOGENASE, butanoic acid | | Authors: | Li, Y.-F, Hata, Y, Fujii, T, Hisano, T, Nishihara, M, Kurihara, T, Esaki, N. | | Deposit date: | 1998-03-03 | | Release date: | 1999-03-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of reaction intermediates of L-2-haloacid dehalogenase and implications for the reaction mechanism.
J.Biol.Chem., 273, 1998
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4W7F
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5BQG
 | | Crystal Structure of mPGES-1 Bound to an Inhibitor | | Descriptor: | 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | | Authors: | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | | Deposit date: | 2015-05-29 | | Release date: | 2016-04-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.436 Å) | | Cite: | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
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8HDK
 | | Structure of the Rat GluN1-GluN2C NMDA receptor in complex with glycine and glutamate (minor class in symmetry) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | | Authors: | Zhang, M, Zhang, J, Guo, F, Li, Y, Zhu, S. | | Deposit date: | 2022-11-04 | | Release date: | 2023-03-29 | | Last modified: | 2023-05-31 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits.
Nat.Struct.Mol.Biol., 30, 2023
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8C6G
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8C3W
 | | Crystal structure of a computationally designed heme binding protein, dnHEM1 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ortmayer, M, Levy, C. | | Deposit date: | 2022-12-29 | | Release date: | 2023-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Design of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site.
J.Am.Chem.Soc., 145, 2023
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6F9T
 | | Crystal structure of human testis Angiotensin-1 converting enzyme in complex with Sampatrilat. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cozier, G.E, Acharya, K.R. | | Deposit date: | 2017-12-15 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of sampatrilat and sampatrilat-Asp in complex with human ACE - a molecular basis for domain selectivity.
FEBS J., 285, 2018
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8C68
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8CF7
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8CJ3
 | | Urea-based foldamer inhibitor c3u_7 chimera in complex with ASF1 histone chaperone | | Descriptor: | Histone chaperone ASF1A, c3u_7 chimera inhibitor of histone chaperone ASF1 | | Authors: | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | | Deposit date: | 2023-02-11 | | Release date: | 2023-07-05 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
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8COM
 | | Structure of the Nucleosome Core Particle from Trypanosoma brucei | | Descriptor: | Histone H2A, Histone H2B, Histone H3, ... | | Authors: | Burdett, H, Deak, G, Wilson, M.D. | | Deposit date: | 2023-02-28 | | Release date: | 2023-07-12 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Histone divergence in trypanosomes results in unique alterations to nucleosome structure.
Nucleic Acids Res., 51, 2023
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8CLJ
 | | TFIIIC TauB-DNA dimer | | Descriptor: | General transcription factor 3C polypeptide 1, General transcription factor 3C polypeptide 2, General transcription factor 3C polypeptide 4, ... | | Authors: | Seifert-Davila, W, Girbig, M, Hauptmann, L, Hoffmann, T, Eustermann, S, Mueller, C.W. | | Deposit date: | 2023-02-16 | | Release date: | 2023-06-21 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into human TFIIIC promoter recognition.
Sci Adv, 9, 2023
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4WBK
 | | The 1.37 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with stearic acid | | Descriptor: | Fatty acid-binding protein, heart, STEARIC ACID | | Authors: | Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Murakami, S, Inoue, T, Murata, M. | | Deposit date: | 2014-09-03 | | Release date: | 2015-01-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Molecular Dynamics Simulations of Heart-type Fatty Acid Binding Protein in Apo and Holo Forms, and Hydration Structure Analyses in the Binding Cavity
J.Phys.Chem.B, 119, 2015
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8CJ2
 | | Urea-based foldamer inhibitor c3u_5 chimera in complex with ASF1 histone chaperone | | Descriptor: | GLYCEROL, Histone chaperone ASF1A, SULFATE ION, ... | | Authors: | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | | Deposit date: | 2023-02-11 | | Release date: | 2023-07-05 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.127 Å) | | Cite: | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
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4W5R
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5XBM
 | | Structure of SCARB2-JL2 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosome membrane protein 2, ... | | Authors: | Zhang, X, Yang, P, Wang, N, Zhang, J, Li, J, Guo, H, Yin, X, Rao, Z, Wang, X, Zhang, L. | | Deposit date: | 2017-03-20 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.501 Å) | | Cite: | The binding of a monoclonal antibody to the apical region of SCARB2 blocks EV71 infection.
Protein Cell, 8, 2017
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8CJ1
 | | Urea-based foldamer inhibitor c3u_3 chimera in complex with ASF1 histone chaperone | | Descriptor: | Histone chaperone ASF1A, c3u_3 chimera inhibitor of histone chaperone ASF1 | | Authors: | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | | Deposit date: | 2023-02-11 | | Release date: | 2023-07-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.564 Å) | | Cite: | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
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4WCY
 | | Fab fragment of mouse AZ130 monoclonal antibody | | Descriptor: | AZ130 Heavy chain, AZ130 Light chain, GLYCEROL, ... | | Authors: | Fallecker, C, Tarbouriech, N, Habib, M, Crepin, T, Drouet, E. | | Deposit date: | 2014-09-05 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fab fragment of mouse AZ130 monoclonal antibody
To Be Published
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8CLI
 | | TFIIIC TauB-DNA monomer | | Descriptor: | DNA (35-MER), General transcription factor 3C polypeptide 1, General transcription factor 3C polypeptide 2, ... | | Authors: | Seifert-Davila, W, Girbig, M, Hauptmann, L, Hoffmann, T, Eustermann, S, Mueller, C.W. | | Deposit date: | 2023-02-16 | | Release date: | 2023-06-21 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into human TFIIIC promoter recognition.
Sci Adv, 9, 2023
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4W6A
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6PET
 | | Crystal structure of 8-hydroxychromene compound 30 bound to estrogen receptor alpha | | Descriptor: | (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, CHLORIDE ION, ... | | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Wang, X, Zbieg, J, Labadie, S.S, Zhang, B, Li, J, Liang, W. | | Deposit date: | 2019-06-20 | | Release date: | 2019-07-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.
Bioorg.Med.Chem.Lett., 29, 2019
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