7S9P
 
 | | Ternary complex of DNA Polymerase Beta with Template Fapy-dG and an incoming dCTP analog | | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*(FAP)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Freudenthal, B.D, Ryan, B.J, Smith, M.R. | | Deposit date: | 2021-09-21 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication.
J.Am.Chem.Soc., 144, 2022
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6I5K
 | | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN345 (derivative of compound 12h) | | Descriptor: | 5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ... | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-11-13 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
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6IBQ
 | | Structure of a nonameric RNA duplex at room temperature in ChipX microfluidic device | | Descriptor: | DNA/RNA (5'-R(*CP*GP*UP*GP*AP*UP*CP*G)-D(P*C)-3'), SULFATE ION | | Authors: | de Wijn, R, Olieric, V, Lorber, B, Sauter, C. | | Deposit date: | 2018-11-30 | | Release date: | 2019-05-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
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8CCO
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7S9K
 | | Crystal Structure of DNA Polymerase Beta with Fapy-dG base-paired with a dA | | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*(FAP)P*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | Authors: | Freudenthal, B.D, Ryan, B.J. | | Deposit date: | 2021-09-21 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication.
J.Am.Chem.Soc., 144, 2022
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6I6T
 | | SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 5 | | Descriptor: | 1,2-ETHANEDIOL, 4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Alen, J, Schade, M, Wagener, M, Blaesse, M. | | Deposit date: | 2018-11-15 | | Release date: | 2019-07-10 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
J.Med.Chem., 62, 2019
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6ON4
 | | Crystal structure of the GntR-type sialoregulator NanR from Escherichia coli, in complex with sialic acid | | Descriptor: | HTH-type transcriptional repressor NanR, N-acetyl-beta-neuraminic acid, ZINC ION, ... | | Authors: | Horne, C.R, Panjikar, S, North, R.A, Dobson, R.C.J. | | Deposit date: | 2019-04-19 | | Release date: | 2020-07-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Control of the Escherichia coli sialoregulon by transcriptional repressor NanR.
J. Bacteriol., 195, 2013
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7S9Q
 | | Ternary complex of DNA Polymerase Beta with Template Fapy-dG and an incoming dATP analog | | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, DNA (5'-D(*CP*CP*GP*AP*CP*(FAP)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ... | | Authors: | Freudenthal, B.D, Ryan, B.J, Smith, M.R. | | Deposit date: | 2021-09-21 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Dynamics of a Common Mutagenic Oxidative DNA Lesion in Duplex DNA and during DNA Replication.
J.Am.Chem.Soc., 144, 2022
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6ONY
 | | BRD2_Bromodomain1 complex with inhibitor 744 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | | Authors: | Longenecker, K.L, Bigelow, L. | | Deposit date: | 2019-04-22 | | Release date: | 2020-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer.
Nature, 578, 2020
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7S9L
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6O4A
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6IBK
 | | Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclosulfamidate ME763 | | Descriptor: | (3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rowland, R.J, Wu, L, Davies, G.J. | | Deposit date: | 2018-11-30 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease
Chem Sci, 2019
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7S9O
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8C03
 | | Structure of SLC40/ferroportin in complex with vamifeport and synthetic nanobody Sy12 in outward-facing conformation | | Descriptor: | 2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide, Solute carrier family 40 member 1 | | Authors: | Lehmann, E.F, Liziczai, M, Drozdzyk, K, Dutzler, R, Manatschal, C. | | Deposit date: | 2022-12-15 | | Release date: | 2023-03-22 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.89 Å) | | Cite: | Structures of ferroportin in complex with its specific inhibitor vamifeport.
Elife, 12, 2023
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8BZY
 | | Structure of SLC40/ferroportin in complex with vamifeport and synthetic nanobody Sy3 in occluded conformation | | Descriptor: | 2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide, DIUNDECYL PHOSPHATIDYL CHOLINE, Solute carrier family 40 member 1, ... | | Authors: | Lehmann, E.F, Liziczai, M, Drozdzyk, K, Dutzler, R, Manatschal, C. | | Deposit date: | 2022-12-15 | | Release date: | 2023-03-22 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | Structures of ferroportin in complex with its specific inhibitor vamifeport.
Elife, 12, 2023
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8C02
 | | Structure of SLC40/ferroportin in complex with synthetic nanobody Sy3 in occluded conformation | | Descriptor: | Solute carrier family 40 member 1, Sybody3 | | Authors: | Lehmann, E.F, Liziczai, M, Drozdzyk, K, Dutzler, R, Manatschal, C. | | Deposit date: | 2022-12-15 | | Release date: | 2023-03-22 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (4.09 Å) | | Cite: | Structures of ferroportin in complex with its specific inhibitor vamifeport.
Elife, 12, 2023
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8COA
 | | in situ Subtomogram average of Immature Rotavirus TLP spike | | Descriptor: | Intermediate capsid protein VP6, Outer capsid glycoprotein VP7, Outer capsid protein VP4 | | Authors: | Shah, P.N.M, Stuart, D.I. | | Deposit date: | 2023-02-27 | | Release date: | 2023-04-05 | | Last modified: | 2023-04-26 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Characterization of the rotavirus assembly pathway in situ using cryoelectron tomography.
Cell Host Microbe, 31, 2023
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8SC3
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8SC4
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8SC1
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8SC2
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8SC6
 | | Human OCT1 bound to thiamine in inward-open conformation | | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, Solute carrier family 22 member 1 | | Authors: | Zeng, Y.C, Sobti, M, Stewart, A.G. | | Deposit date: | 2023-04-04 | | Release date: | 2023-10-18 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Structural basis of promiscuous substrate transport by Organic Cation Transporter 1.
Nat Commun, 14, 2023
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6I8F
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6I8Z
 | | Crystal structure of PTK2 in complex with BI-4464. | | Descriptor: | 3-methoxy-~{N}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide, Focal adhesion kinase 1 | | Authors: | Bader, G, Zoephel, A. | | Deposit date: | 2018-11-21 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Highly Selective PTK2 Proteolysis Targeting Chimeras to Probe Focal Adhesion Kinase Scaffolding Functions.
J.Med.Chem., 62, 2019
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6IBP
 | | Structure of a psychrophilic CCA-adding enzyme at room temperature in ChipX microfluidic device | | Descriptor: | CCA-adding enzyme | | Authors: | de Wijn, R, Hennig, O, Rollet, K, Bluhm, A, Betat, H, Moerl, M, Lorber, B, Sauter, C. | | Deposit date: | 2018-11-30 | | Release date: | 2019-05-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.536 Å) | | Cite: | A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
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