5JXA
 
 | Crystal structure of ligand-free VRC03 antigen-binding fragment. | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, PHOSPHATE ION, ... | Authors: | Zhou, T, Moquin, S, Joyce, M.G, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-05-12 | Release date: | 2016-07-27 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Somatic Hypermutation-Induced Changes in the Structure and Dynamics of HIV-1 Broadly Neutralizing Antibodies. Structure, 24, 2016
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9BKO
 
 | DHODH in complex with Ligand 26 | Descriptor: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-04-29 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML. J.Med.Chem., 67, 2024
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2INZ
 
 | Crystal Structure of Aldose Reductase complexed with 2-Hydroxyphenylacetic Acid | Descriptor: | (2-HYDROXYPHENYL)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Harrison, D.H.T, Pape, E, Carlson, E, Brownlee, J.M. | Deposit date: | 2006-10-09 | Release date: | 2006-11-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and thermodynamic studies of simple aldose reductase-inhibitor complexes. Bioorg.Chem., 34, 2006
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5K0G
 
 | Crystal Structure of COMT in complex with 4-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1,3-dimethylpyrazole | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-[(1S)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole, Catechol O-methyltransferase, ... | Authors: | Ehler, A, rodriguez-Sarmiento, R.M, Rudolph, M.G. | Deposit date: | 2016-05-17 | Release date: | 2016-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
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9BIY
 
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2IO5
 
 | Crystal structure of the CIA- histone H3-H4 complex | Descriptor: | ASF1A protein, Histone H3.1, Histone H4 | Authors: | Natsume, R, Akai, Y, Horikoshi, M, Senda, T. | Deposit date: | 2006-10-10 | Release date: | 2007-02-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and function of the histone chaperone CIA/ASF1 complexed with histones H3 and H4. Nature, 446, 2007
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9BIZ
 
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6T2K
 
 | Furano[2,3-d]prymidine amides as Notum inhibitors | Descriptor: | 1,2-ETHANEDIOL, 2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-10-08 | Release date: | 2020-01-01 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Scaffold-hopping identifies furano[2,3-d]pyrimidine amides as potent Notum inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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5XWD
 
 | Crystal structure of the complex of 059-152-Fv and EGFR-ECD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ... | Authors: | Matsuda, T, Ito, T, Shirouzu, M. | Deposit date: | 2017-06-29 | Release date: | 2018-02-28 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.894 Å) | Cite: | Cell-free synthesis of functional antibody fragments to provide a structural basis for antibody-antigen interaction PLoS ONE, 13, 2018
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9BJ0
 
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2IOD
 
 | Binding of two substrate analogue molecules to dihydroflavonol-4-reductase alters the functional geometry of the catalytic site | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Dihydroflavonol 4-reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Petit, P, Langlois d'Estaintot, B, Granier, T, Gallois, B. | Deposit date: | 2006-10-10 | Release date: | 2007-09-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Binding of two substrate analogue molecules to dihydroflavonol-4-reductase alters the functional geometry of the catalytic site To be Published
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2IPI
 
 | Crystal Structure of Aclacinomycin Oxidoreductase | Descriptor: | Aclacinomycin oxidoreductase (AknOx), FLAVIN-ADENINE DINUCLEOTIDE, METHYL (2S,4R)-2-ETHYL-2,5,7-TRIHYDROXY-6,11-DIOXO-4-{[2,3,6-TRIDEOXY-4-O-{2,6-DIDEOXY-4-O-[(2S,6S)-6-METHYL-5-OXOTETRAHYDRO-2H -PYRAN-2-YL]-ALPHA-D-LYXO-HEXOPYRANOSYL}-3-(DIMETHYLAMINO)-D-RIBO-HEXOPYRANOSYL]OXY}-1,2,3,4,6,11-HEXAHYDROTETRACENE-1-C ARBOXYLATE | Authors: | Sultana, A, Kursula, I, Schneider, G, Alexeev, I, Niemi, J, Mantsala, P. | Deposit date: | 2006-10-12 | Release date: | 2007-01-23 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure determination by multiwavelength anomalous diffraction of aclacinomycin oxidoreductase: indications of multidomain pseudomerohedral twinning. Acta Crystallogr.,Sect.D, 63, 2007
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5JYK
 
 | Deg9 crystal under 289K | Descriptor: | GLYCEROL, Protease Do-like 9 | Authors: | Ouyang, M, Zhang, L.X. | Deposit date: | 2016-05-14 | Release date: | 2017-05-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.297 Å) | Cite: | The crystal structure of Deg9 reveals a novel octameric-type HtrA protease Nat Plants, 3, 2017
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6THP
 
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9B9M
 
 | Crystal structure of iron-bound FlcD from Pseudomonas aeruginosa | Descriptor: | FE (II) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C | Authors: | Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. | Deposit date: | 2024-04-02 | Release date: | 2024-07-31 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme. Acs Cent.Sci., 10, 2024
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5JZ8
 
 | Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine, and factor X substrate peptide fragment (39mer) | Descriptor: | ACETATE ION, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | Authors: | McDonough, M.A, Pfeffer, I. | Deposit date: | 2016-05-16 | Release date: | 2017-05-24 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern. Nat Commun, 10, 2019
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9BUJ
 
 | Structure of PfPL1 from Pseudoalteromonas fuliginea | Descriptor: | CALCIUM ION, Pectate lyase | Authors: | Boraston, A.B, Hobbs, J.K. | Deposit date: | 2024-05-17 | Release date: | 2024-07-10 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The structure of a pectin-active family 1 polysaccharide lyase from the marine bacterium Pseudoalteromonas fuliginea. Acta Crystallogr.,Sect.F, 80, 2024
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8HPV
 
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9BIU
 
 | Cryo-EM structure of the mammalian peptide transporter PepT2 bound to cloxacillin, pose 2 | Descriptor: | CLOXACILLIN, Solute carrier family 15 member 2, nanobody | Authors: | Parker, J.L, Deme, J.C, Lea, S.M, Newstead, S. | Deposit date: | 2024-04-24 | Release date: | 2024-07-24 | Last modified: | 2025-06-04 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis for antibiotic transport and inhibition in PepT2. Nat Commun, 15, 2024
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9BIB
 
 | Rat GluN1-GluN2B NMDA receptor channel in complex with glycine, glutamate, and EU-1622-A, in open-channel conformation, C1 symmetry | Descriptor: | GLUTAMIC ACID, GLYCINE, Glutamate receptor, ... | Authors: | Chou, T.-H, Furukawa, H. | Deposit date: | 2024-04-23 | Release date: | 2024-07-31 | Last modified: | 2024-10-30 | Method: | ELECTRON MICROSCOPY (3.81 Å) | Cite: | Molecular mechanism of ligand gating and opening of NMDA receptor. Nature, 632, 2024
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5JZE
 
 | Erve virus viral OTU domain protease in complex with mouse ISG15 | Descriptor: | CITRATE ANION, RNA-dependent RNA polymerase, Ubiquitin-like protein ISG15, ... | Authors: | Deaton, M.K, Dzimianski, J.V, Pegan, S.D. | Deposit date: | 2016-05-16 | Release date: | 2016-10-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Biochemical and Structural Insights into the Preference of Nairoviral DeISGylases for Interferon-Stimulated Gene Product 15 Originating from Certain Species. J.Virol., 90, 2016
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2IT9
 
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9B9N
 
 | Crystal structure of FlcD from Pseudomonas aeruginosa bound to iron (II) and substrate | Descriptor: | (2R)-2-{[(2Z)-2-(hydroxyimino)ethyl]sulfanyl}butanedioic acid, FE (III) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C | Authors: | Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. | Deposit date: | 2024-04-02 | Release date: | 2024-07-31 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme. Acs Cent.Sci., 10, 2024
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5K00
 
 | MELK in complex with NVS-MELK5 | Descriptor: | 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-N-[2-oxo-2-(phenylamino)ethyl]benzamide, Maternal embryonic leucine zipper kinase | Authors: | Sprague, E.R. | Deposit date: | 2016-05-17 | Release date: | 2017-03-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | "Addition" and "Subtraction": Selectivity Design for Type II Maternal Embryonic Leucine Zipper Kinase Inhibitors. J. Med. Chem., 60, 2017
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9BRW
 
 | SARS-CoV-2 Papain-like Protease (PLpro) with Fragment 7 | Descriptor: | CHLORIDE ION, N-(2-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Papain-like protease nsp3, ... | Authors: | Amporndanai, K, Zhao, B, Fesik, S.W. | Deposit date: | 2024-05-11 | Release date: | 2024-07-31 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment-Based Screen of SARS-CoV-2 Papain-like Protease (PL pro ). Acs Med.Chem.Lett., 15, 2024
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