5IZQ
 
 | | Crystal structure of human folate receptor alpha in complex with novel antifolate AGF183 | | Descriptor: | Folate receptor alpha, N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid | | Authors: | Ke, J, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K. | | Deposit date: | 2016-03-25 | | Release date: | 2016-08-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor alpha and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis.
J.Med.Chem., 59, 2016
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6RCP
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7P08
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7P0V
 | | Crystal structure of human SF3A1 ubiquitin-like domain in complex with U1 snRNA stem-loop 4 | | Descriptor: | Isoform 2 of Splicing factor 3A subunit 1, PENTAETHYLENE GLYCOL, RNA (5'-R(P*GP*GP*GP*GP*AP*CP*UP*GP*CP*GP*UP*UP*CP*GP*CP*GP*CP*UP*UP*UP*CP*CP*CP*C)-3'), ... | | Authors: | Sabath, K, de Vries, T, Jonas, S. | | Deposit date: | 2021-06-30 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Sequence-specific RNA recognition by an RGG motif connects U1 and U2 snRNP for spliceosome assembly.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6RCK
 | | Crystal structure of the OmpK36 GD insertion chimera from Klebsiella pneumonia | | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, ... | | Authors: | Beis, K, Romano, M, Kwong, J. | | Deposit date: | 2019-04-11 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.029 Å) | | Cite: | OmpK36-mediated Carbapenem resistance attenuates ST258 Klebsiella pneumoniae in vivo.
Nat Commun, 10, 2019
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6RD3
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3JSU
 | | Quadruple mutant(N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase(PFDHFR-TS) complexed with QN254, NADPH, and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-chloro-N~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine, Dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Chitnumsub, P, Maneeruttanarungroj, C, Kamchonwongpaisan, S, Yuthavong, Y, Diagana, T.T. | | Deposit date: | 2009-09-11 | | Release date: | 2010-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Preclinical evaluation of the antifolate QN254, 5-chloro- N'6'-(2,5-dimethoxy-benzyl)-quinazoline-2,4,6-triamine, as an antimalarial drug candidate
Antimicrob.Agents Chemother., 54, 2010
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4XX4
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4XX3
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3L59
 | | Structure of BACE Bound to SCH710413 | | Descriptor: | (2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID | | Authors: | Strickland, C, Zhu, Z. | | Deposit date: | 2009-12-21 | | Release date: | 2010-02-16 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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3L58
 | | Structure of BACE Bound to SCH589432 | | Descriptor: | Beta-secretase 1, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | | Authors: | Strickland, C, Zhu, Z. | | Deposit date: | 2009-12-21 | | Release date: | 2010-02-16 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
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6NAO
 | | Discovery of a high affinity inhibitor of cGAS | | Descriptor: | (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION | | Authors: | Hall, J. | | Deposit date: | 2018-12-06 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
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8QVS
 | | Crystal structure of Ompk36 GD at 3500 eV based on a combination of spherical harmonics and analytical absorption corrections | | Descriptor: | OmpK36, SULFATE ION | | Authors: | Duman, R, Wagner, A, Beis, K, Wong, J. | | Deposit date: | 2023-10-18 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions.
J.Appl.Crystallogr., 57, 2024
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8QUR
 | | Crystal structure of Ompk36 GD at 3500 eV with no absorption corrections | | Descriptor: | OmpK36, SULFATE ION | | Authors: | Duman, R, Wagner, A, Beis, K, Wong, J. | | Deposit date: | 2023-10-16 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions.
J.Appl.Crystallogr., 57, 2024
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8QUQ
 | | Crystal structure of Ompk36 GD at 3500 eV based on spherical harmonics absorption corrections | | Descriptor: | OmpK36, SULFATE ION | | Authors: | Duman, R, Wagner, A, Beis, K, Wong, J. | | Deposit date: | 2023-10-16 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions.
J.Appl.Crystallogr., 57, 2024
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8QVV
 | | Crystal structure of Ompk36 GD at 3500 eV based on analytical absorption corrections | | Descriptor: | OmpK36, SULFATE ION | | Authors: | Duman, R, Wagner, A, Beis, K, Wong, J. | | Deposit date: | 2023-10-18 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions.
J.Appl.Crystallogr., 57, 2024
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3WX6
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4S1G
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7D0P
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7D0Q
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7D0O
 | | Crystal structure of human HBO1-BRPF2 in apo form | | Descriptor: | 1,2-ETHANEDIOL, BRD1 protein, Histone acetyltransferase KAT7, ... | | Authors: | Li, W, Ding, J. | | Deposit date: | 2020-09-11 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
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7D0S
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7D0R
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1A81
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5V8O
 | | Discovery of a high affinity inhibitor of cGAS | | Descriptor: | 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Hall, J. | | Deposit date: | 2017-03-22 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
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