9CFM
 
 | | Human DJ-1, 5 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography | | Descriptor: | 1-hydroxypropan-2-one, Protein deglycase DJ-1 | | Authors: | Zielinski, K.A, Dolamore, C, Dalton, K, Meisburger, S.P, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A. | | Deposit date: | 2024-06-27 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
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9CFI
 | | Human DJ-1, 3 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography | | Descriptor: | 1-hydroxypropan-2-one, Protein deglycase DJ-1 | | Authors: | Zielinski, K.A, Dolamore, C, Dalton, K, Meisburger, S.P, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A. | | Deposit date: | 2024-06-27 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
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9CFZ
 | | Human DJ-1, 20 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography | | Descriptor: | 1-hydroxypropan-2-one, Protein deglycase DJ-1 | | Authors: | Zielinski, K.A, Dolamore, C, Dalton, K, Meisburger, S.P, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A. | | Deposit date: | 2024-06-27 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
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9CGB
 | | Human DJ-1, 5 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography, CrystFEL processed | | Descriptor: | 1-hydroxypropan-2-one, Protein deglycase DJ-1 | | Authors: | Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A. | | Deposit date: | 2024-06-28 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
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9CGA
 | | Human DJ-1, 3 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography, CrystFEL processed | | Descriptor: | 1-hydroxypropan-2-one, Protein deglycase DJ-1 | | Authors: | Zielinski, K, Dolamore, C, Dalton, K, Meisburger, S, Smith, N, Termini, J, Henning, R, Srajer, V, Hekstra, D, Pollack, L, Wilson, M.A. | | Deposit date: | 2024-06-28 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Resolving DJ-1 Glyoxalase Catalysis Using Mix-and-Inject Serial Crystallography at a Synchrotron.
Biorxiv, 2024
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5K97
 | | Flap endonuclease 1 (FEN1) D233N with cleaved product fragment and Sm3+ | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), ... | | Authors: | Tsutakawa, S.E, Arvai, A.S, Tainer, J.A. | | Deposit date: | 2016-05-31 | | Release date: | 2017-06-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Phosphate steering by Flap Endonuclease 1 promotes 5'-flap specificity and incision to prevent genome instability.
Nat Commun, 8, 2017
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5H42
 | | Crystal Structure of 1,2-beta-oligoglucan phosphorylase from Lachnoclostridium phytofermentans in complex with alpha-d-glucose-1-phosphate | | Descriptor: | 1-O-phosphono-alpha-D-glucopyranose, Uncharacterized protein, alpha-D-glucopyranose | | Authors: | Nakajima, M, Tanaka, N, Furukawa, N, Nihira, T, Kodutsumi, Y, Takahashi, Y, Sugimoto, N, Miyanaga, A, Fushinobu, S, Taguchi, H, Nakai, H. | | Deposit date: | 2016-10-28 | | Release date: | 2017-03-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanistic insight into the substrate specificity of 1,2-beta-oligoglucan phosphorylase from Lachnoclostridium phytofermentans
Sci Rep, 7, 2017
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9DR4
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9DAR
 | | Structure of E. coli dihydrofolate reductase (DHFR) in an occluded conformation and in complex with cycloguanil | | Descriptor: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, CITRATE ANION, Dihydrofolate reductase | | Authors: | Berkovich, D.A, Jez, J.M. | | Deposit date: | 2024-08-22 | | Release date: | 2025-02-26 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Expanding the Landscape of Dual Action Antifolate Antibacterials through 2,4-Diamino-1,6-dihydro-1,3,5-triazines.
Acs Infect Dis., 11, 2025
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4U1J
 | | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GAG protein, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | Deposit date: | 2014-07-15 | | Release date: | 2015-04-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape.
Retrovirology, 12, 2015
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4U1N
 | | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | Deposit date: | 2014-07-15 | | Release date: | 2015-04-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape.
Retrovirology, 12, 2015
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4U1S
 | | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | Deposit date: | 2014-07-16 | | Release date: | 2015-04-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape.
Retrovirology, 12, 2015
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4U1K
 | | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | Deposit date: | 2014-07-15 | | Release date: | 2015-04-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape.
Retrovirology, 12, 2015
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4U1H
 | | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GAG protein, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | Deposit date: | 2014-07-15 | | Release date: | 2015-04-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape.
Retrovirology, 12, 2015
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4U1M
 | | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | Deposit date: | 2014-07-15 | | Release date: | 2015-04-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape.
Retrovirology, 12, 2015
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6MTN
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4RX4
 | | Crystal structure of VH1-46 germline-derived CD4-binding site-directed antibody 8ANC134 in complex with HIV-1 clade A Q842.d12 gp120 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC134 Heavy chain, ... | | Authors: | Zhou, T, Acharya, P, Moquin, S, Kwong, P.D. | | Deposit date: | 2014-12-08 | | Release date: | 2015-07-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell(Cambridge,Mass.), 161, 2015
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9F1I
 | | Crystal structure of a first-in-class antibody for alpha-1,6-fucosylated prostate-specific antigen, target bound | | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(2-azanylethoxy)ethoxy]ethanoic acid, Heavy chain rabbit fab, ... | | Authors: | Halldorsson, S. | | Deposit date: | 2024-04-19 | | Release date: | 2024-07-31 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Development of a first-in-class antibody and a specific assay for alpha-1,6-fucosylated prostate-specific antigen.
Sci Rep, 14, 2024
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5L58
 | | Crystal structure of Iso-citrate Dehydrogenase 1 [IDH1 (R132H)] in complex with a novel inhibitor (Compound 2) | | Descriptor: | 2-[(3~{R})-1-[6-cyclohexylsulfanyl-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Levy, C. | | Deposit date: | 2016-05-28 | | Release date: | 2016-12-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells.
J.Med.Chem., 59, 2016
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6MU7
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6MU6
 | | Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-814508 in Complex with Human Antibodies 3H109L and 35O22 at 3.2 Angstrom | | Descriptor: | (2R)-{1-[{7-[2-({[3-(dimethylamino)propyl](methyl)amino}methyl)-1,3-thiazol-4-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl}(oxo)acetyl]piperidin-4-yl}(phenyl)acetonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lai, Y.-T, Kwong, P.D. | | Deposit date: | 2018-10-22 | | Release date: | 2019-01-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.551 Å) | | Cite: | Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
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6GH3
 | | Paenibacillus sp. YM1 laminaribiose phosphorylase with alpha-man-1-phosphate bound | | Descriptor: | 1,2-ETHANEDIOL, 1-O-phosphono-alpha-D-mannopyranose, CHLORIDE ION, ... | | Authors: | Kuhaudomlarp, S, Walpole, S, Stevenson, C.E.M, Nepogodiev, S.A, Lawson, D.M, Angulo, J, Field, R.A. | | Deposit date: | 2018-05-04 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Unravelling the Specificity of Laminaribiose Phosphorylase from Paenibacillus sp. YM-1 towards Donor Substrates Glucose/Mannose 1-Phosphate by Using X-ray Crystallography and Saturation Transfer Difference NMR Spectroscopy.
Chembiochem, 20, 2019
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6QY0
 | | Pink beam serial crystallography: Lysozyme, 5 us exposure, 3000 patterns merged | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Lieske, J, Tolstikova, A, Meents, A. | | Deposit date: | 2019-03-08 | | Release date: | 2019-09-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
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5UGC
 | | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | | Descriptor: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ... | | Authors: | Gajiwala, K.S, Ferre, R.A. | | Deposit date: | 2017-01-08 | | Release date: | 2017-03-22 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
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6QY1
 | | Pink beam serial crystallography: Lysozyme, 5 us exposure, 1500 patterns merged | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Lieske, J, Tolstikova, A, Meents, A. | | Deposit date: | 2019-03-08 | | Release date: | 2019-09-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
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