8ZOW
 
 | | Cryo-EM structure of Metyltetraprole-bound porcine bc1 complex | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methyl-phenyl]-4-methyl-1,2,3,4-tetrazol-5-one, CARDIOLIPIN, ... | | Authors: | Wang, Y.X, Sun, J.Y, Cui, G.R, Yang, G.F. | | Deposit date: | 2024-05-29 | | Release date: | 2024-12-25 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (2.53 Å) | | Cite: | Cryo-EM Structures Reveal the Unique Binding Modes of Metyltetraprole in Yeast and Porcine Cytochrome bc 1 Complex Enabling Rational Design of Inhibitors.
J.Am.Chem.Soc., 146, 2024
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5JRM
 | | Crystal Structure of a Xylanase at 1.56 Angstroem resolution | | Descriptor: | Endo-1,4-beta-xylanase, GLYCEROL, SULFATE ION | | Authors: | Gomez, S, Payne, A.M, Savko, M, Fox, G.C, Shepard, W.E, Fernandez, F.J, Vega, M.C. | | Deposit date: | 2016-05-06 | | Release date: | 2017-05-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural and functional characterization of a highly stable endo-beta-1,4-xylanase from Fusarium oxysporum and its development as an efficient immobilized biocatalyst.
Biotechnol Biofuels, 9, 2016
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7BP4
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1E0X
 | | XYLANASE 10A FROM SREPTOMYCES LIVIDANS. XYLOBIOSYL-ENZYME INTERMEDIATE AT 1.65 A | | Descriptor: | ENDO-1,4-BETA-XYLANASE A, GLYCEROL, beta-D-xylopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-xylopyranose | | Authors: | Ducros, V, Charnock, S.J, Derewenda, U, Derewenda, Z.S, Dauter, Z, Dupont, C, Shareck, F, Morosoli, R, Kluepfel, D, Davies, G.J. | | Deposit date: | 2000-04-10 | | Release date: | 2001-04-05 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Substrate Specificity in Glycoside Hydrolase Family 10. Structural and Kinetic Analysis of the Streptomyces Lividans Xylanase 10A
J.Biol.Chem., 275, 2000
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6ECO
 | | Hexamer-2-Foldon HIV-1 capsid platform | | Descriptor: | HIV-1 capsid platform protein | | Authors: | Summers, B.J, Xiong, Y. | | Deposit date: | 2018-08-08 | | Release date: | 2019-09-18 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Modular HIV-1 Capsid Assemblies Reveal Diverse Host-Capsid Recognition Mechanisms.
Cell Host Microbe, 26, 2019
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7R2L
 | | Human Cyclophilin D in complex with N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide | | Descriptor: | DIMETHYL SULFOXIDE, N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide, Peptidyl-prolyl cis-trans isomerase F, ... | | Authors: | Silva, D.O, Graedler, U, Bandeiras, T.M. | | Deposit date: | 2022-02-04 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Human Cyclophilin D in complex with
N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
To Be Published
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6TKK
 | | Neuropilin 1-b1 domain in a complex with the C-terminal VEGFB186 peptide | | Descriptor: | 1,2-ETHANEDIOL, ACE-ARG-PRO-GLN-PRO-ARG, Neuropilin-1 | | Authors: | Eldrid, C, Yu, L, Yelland, T, Fotinou, C, Djordjevic, S. | | Deposit date: | 2019-11-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Neuropilin 1-b1 domain in a complex with the C-terminal VEGFB186 peptide
To Be Published
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5MU5
 | | Structure of MAf glycosyltransferase from Magnetospirillum magneticum AMB-1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | | Authors: | Sulzenbacher, G, Roig-Zamboni, V, Murat, D, Vincentelli, R, Wu, L.F, Guerardel, Y, Alberto, F. | | Deposit date: | 2017-01-12 | | Release date: | 2017-11-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Glycosylate and move! The glycosyltransferase Maf is involved in bacterial flagella formation.
Environ. Microbiol., 20, 2018
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7BP2
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6YBJ
 | | Structure of MBP-Mcl-1 in complex with compound 3e | | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, ... | | Authors: | Dokurno, P, Surgenor, A.E, Murray, J.B. | | Deposit date: | 2020-03-17 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor.
J.Med.Chem., 63, 2020
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8TNH
 | | Cryo-EM structure of HIV-1 Env BG505 DS-SOSIP in complex with broadly neutralizing llama nanobody G36 targeting the CD4-binding site | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD4-binding site nanobody G36, ... | | Authors: | Zhou, T, Kwong, P.D, Xu, J. | | Deposit date: | 2023-08-01 | | Release date: | 2024-05-08 | | Last modified: | 2024-12-18 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Ultrapotent Broadly Neutralizing Human-llama Bispecific Antibodies against HIV-1.
Adv Sci, 11, 2024
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8TNI
 | | Cryo-EM structure of HIV-1 Env BG505 DS-SOSIP in complex with broadly neutralizing bi-specific antibody CAP256L-R27 targeting the CD4-binding site and the V2-apex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 BG505 DS-SOSIP gp120, ... | | Authors: | Zhou, T, Morano, N.C, Roark, R.S, Kwong, P.D, Xu, J. | | Deposit date: | 2023-08-01 | | Release date: | 2024-05-08 | | Last modified: | 2024-12-18 | | Method: | ELECTRON MICROSCOPY (3.61 Å) | | Cite: | Ultrapotent Broadly Neutralizing Human-llama Bispecific Antibodies against HIV-1.
Adv Sci, 11, 2024
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8TNG
 | | Cryo-EM structure of HIV-1 Env BG505 DS-SOSIP in complex with broadly neutralizing llama nanobody R27 targeting the CD4-binding site | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD4-binding site targeting nanobody R27, ... | | Authors: | Zhou, T, Kwong, P.D, Xu, J. | | Deposit date: | 2023-08-01 | | Release date: | 2024-05-08 | | Last modified: | 2024-12-18 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Ultrapotent Broadly Neutralizing Human-llama Bispecific Antibodies against HIV-1.
Adv Sci, 11, 2024
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5DZM
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1DLO
 | | HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 | | Descriptor: | HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE | | Authors: | Hsiou, Y, Ding, J, Das, K, Hughes, S, Arnold, E. | | Deposit date: | 1996-04-17 | | Release date: | 1996-08-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of unliganded HIV-1 reverse transcriptase at 2.7 A resolution: implications of conformational changes for polymerization and inhibition mechanisms.
Structure, 4, 1996
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7BP5
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6E8X
 | | CA IX mimic Complexed with Steroidal Sulfamate Compound STX 140 | | Descriptor: | (13alpha,17alpha)-2-methoxyestra-1,3,5,7,9,11-hexaene-3,17-diyl disulfamate, Carbonic anhydrase 2, ZINC ION | | Authors: | Andring, J.T, Mckenna, R. | | Deposit date: | 2018-07-31 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 3,17 beta-Bis-sulfamoyloxy-2-methoxyestra-1,3,5(10)-triene and Nonsteroidal Sulfamate Derivatives Inhibit Carbonic Anhydrase IX: Structure-Activity Optimization for Isoform Selectivity.
J. Med. Chem., 62, 2019
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6E8P
 | | CA IX mimic Complexed with Steroidal Sulfamate Compound STX 49 | | Descriptor: | (14beta,17beta)-estra-1(10),2,4,6,8-pentaene-3,17-diyl disulfamate, Carbonic anhydrase 2, ZINC ION | | Authors: | Andring, J.T, Mckenna, R. | | Deposit date: | 2018-07-30 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 3,17 beta-Bis-sulfamoyloxy-2-methoxyestra-1,3,5(10)-triene and Nonsteroidal Sulfamate Derivatives Inhibit Carbonic Anhydrase IX: Structure-Activity Optimization for Isoform Selectivity.
J. Med. Chem., 62, 2019
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8SP7
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6EGD
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6B8U
 | | Crystals Structure of B-Raf kinase domain in complex with an Imidazopyridinyl benzamide inhibitor | | Descriptor: | Serine/threonine-protein kinase B-raf, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide | | Authors: | Appleton, B.A, Murray, J, Shafer, C.M. | | Deposit date: | 2017-10-09 | | Release date: | 2017-11-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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7UFZ
 | | Crystal structure of TDP1 complexed with compound XZ768 | | Descriptor: | (4-{[(4S)-2-phenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)phosphonic acid, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | | Deposit date: | 2022-03-23 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.559 Å) | | Cite: | Phosphonic acid-containing inhibitors of tyrosyl-DNA phosphodiesterase 1.
Front Chem, 10, 2022
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6I1O
 | | Fab fragment of an antibody selective for wild-type alpha-1-antitrypsin | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FAB 2H2 heavy chain, FAB 2H2 light chain, ... | | Authors: | Laffranchi, M, Elliston, E.L.K, Miranda, E, Perez, J, Fra, A, Lomas, D.A, Irving, J.A. | | Deposit date: | 2018-10-29 | | Release date: | 2019-11-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Intrahepatic heteropolymerization of M and Z alpha-1-antitrypsin.
JCI Insight, 5, 2020
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8DGA
 | | Structural Basis of MicroRNA Biogenesis by Dicer-1 and Its Partner Protein Loqs-PB - complex IV | | Descriptor: | Endoribonuclease Dcr-1, Loquacious, isoform B, ... | | Authors: | Jouravleva, K, Golovenko, D, Demo, G, Dutcher, R.C, Tanaka Hall, T.M, Zamore, P.D, Korostelev, A.A. | | Deposit date: | 2022-06-23 | | Release date: | 2022-11-16 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.73 Å) | | Cite: | Structural basis of microRNA biogenesis by Dicer-1 and its partner protein Loqs-PB.
Mol.Cell, 82, 2022
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6EQM
 | | Crystal Structure of Human BACE-1 in Complex with CNP520 | | Descriptor: | Beta-secretase 1, ~{N}-[6-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide | | Authors: | Rondeau, J.-M, Wirth, E. | | Deposit date: | 2017-10-13 | | Release date: | 2018-09-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The BACE-1 inhibitor CNP520 for prevention trials in Alzheimer's disease.
EMBO Mol Med, 10, 2018
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