8DSE
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![BU of 8dse by Molmil](/molmil-images/mine/8dse) | Human NAMPT in complex with substrate NAM and activator quercitrin | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, CHLORIDE ION, NICOTINAMIDE, ... | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | Deposit date: | 2022-07-22 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.428 Å) | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD. Biochemistry, 62, 2023
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6PV7
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![BU of 6pv7 by Molmil](/molmil-images/mine/6pv7) | Human alpha3beta4 nicotinic acetylcholine receptor in complex with nicotine | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gharpure, A, Teng, J, Zhuang, Y, Noviello, C.M, Walsh, R.M, Cabuco, R, Howard, R.J, Zaveri, N.T, Lindahl, E, Hibbs, R.E. | Deposit date: | 2019-07-19 | Release date: | 2019-09-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | Agonist Selectivity and Ion Permeation in the alpha 3 beta 4 Ganglionic Nicotinic Receptor. Neuron, 104, 2019
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8DTJ
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![BU of 8dtj by Molmil](/molmil-images/mine/8dtj) | Human NAMPT in complex with small molecule activator ZN-43-S | Descriptor: | (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-{2-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | Deposit date: | 2022-07-25 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.118 Å) | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD. Biochemistry, 62, 2023
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8DSI
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![BU of 8dsi by Molmil](/molmil-images/mine/8dsi) | Human NAMPT in complex with substrate NAM | Descriptor: | CHLORIDE ION, GLYCEROL, NICOTINAMIDE, ... | Authors: | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | Deposit date: | 2022-07-22 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD. Biochemistry, 62, 2023
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7QTN
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![BU of 7qtn by Molmil](/molmil-images/mine/7qtn) | Duplex RNA containing Xanthosine-Cytosine base pairs | Descriptor: | RNA (5'-R(*GP*GP*UP*AP*(RY)P*UP*GP*CP*GP*(XAN)P*UP*AP*CP*C)-3'), RNA (5'-R(*GP*GP*UP*AP*CP*UP*GP*CP*GP*(XAM)P*UP*AP*CP*C)-3') | Authors: | Ennifar, E, Micura, R. | Deposit date: | 2022-01-14 | Release date: | 2023-01-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Towards a comprehensive understanding of RNA deamination: synthesis and properties of xanthosine-modified RNA. Nucleic Acids Res., 50, 2022
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4YOC
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![BU of 4yoc by Molmil](/molmil-images/mine/4yoc) | Crystal Structure of human DNMT1 and USP7/HAUSP complex | Descriptor: | DNA (cytosine-5)-methyltransferase 1, Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION | Authors: | Cheng, J, Yang, H, Fang, J, Gong, R, Wang, P, Li, Z, Xu, Y. | Deposit date: | 2015-03-11 | Release date: | 2015-05-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.916 Å) | Cite: | Molecular mechanism for USP7-mediated DNMT1 stabilization by acetylation. Nat Commun, 6, 2015
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7U3R
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![BU of 7u3r by Molmil](/molmil-images/mine/7u3r) | [2T7+10] Self-assembling tensegrity triangle with two turns of DNA and the sticky end attachment of a one-turn linker per axis, with R3 symmetry | Descriptor: | DNA (5'-D(*AP*CP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(*GP*AP*TP*GP*CP*TP*GP*AP*GP*T)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Woloszyn, K, Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2022-02-28 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (6.27 Å) | Cite: | Augmented DNA Nanoarchitectures: A Structural Library of 3D Self-Assembling Tensegrity Triangle Variants. Adv Mater, 34, 2022
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7U3Y
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![BU of 7u3y by Molmil](/molmil-images/mine/7u3y) | [L233] Self-assembling tensegrity triangle with two turns, three turns and three turns of DNA per axis by linker addition with P1 symmetry | Descriptor: | DNA (5'-D(*AP*AP*CP*CP*TP*AP*CP*CP*TP*GP*GP*CP*AP*GP*GP*AP*CP*GP*AP*CP*T)-3'), DNA (5'-D(*AP*CP*TP*GP*AP*TP*GP*TP*GP*GP*TP*AP*GP*G)-3'), DNA (5'-D(*AP*GP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), ... | Authors: | Woloszyn, K, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2022-02-28 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (6.06 Å) | Cite: | Augmented DNA Nanoarchitectures: A Structural Library of 3D Self-Assembling Tensegrity Triangle Variants. Adv Mater, 34, 2022
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8T5G
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![BU of 8t5g by Molmil](/molmil-images/mine/8t5g) | SOS2 co-crystal structure with fragment bound (compound 12) | Descriptor: | DIMETHYL SULFOXIDE, SULFATE ION, Son of sevenless homolog 2, ... | Authors: | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | Deposit date: | 2023-06-13 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. J.Med.Chem., 67, 2024
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7TJJ
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![BU of 7tjj by Molmil](/molmil-images/mine/7tjj) | S. cerevisiae ORC bound to 84 bp ARS1 DNA and Cdc6 (state 1) with docked Orc6 N-terminal domain | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 6, DNA, ... | Authors: | Schmidt, J.M, Yang, R, Kumar, A, Hunker, O, Bleichert, F. | Deposit date: | 2022-01-16 | Release date: | 2022-10-05 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6. Nat Commun, 13, 2022
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7U3P
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![BU of 7u3p by Molmil](/molmil-images/mine/7u3p) | [3T7] Self-assembling tensegrity triangle with three turns of DNA per axis with R3 symmetry | Descriptor: | DNA (31-MER), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3'), ... | Authors: | Woloszyn, K, Vecchioni, S, Lu, B, Ma, Y, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2022-02-28 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (6.06 Å) | Cite: | Augmented DNA Nanoarchitectures: A Structural Library of 3D Self-Assembling Tensegrity Triangle Variants. Adv Mater, 34, 2022
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8T5M
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![BU of 8t5m by Molmil](/molmil-images/mine/8t5m) | SOS2 crystal structure with fragment bound (compound 14) | Descriptor: | 1,2-ETHANEDIOL, 4-[(1R,2S)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol, SULFATE ION, ... | Authors: | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | Deposit date: | 2023-06-14 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. J.Med.Chem., 67, 2024
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7U3S
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![BU of 7u3s by Molmil](/molmil-images/mine/7u3s) | [2T7+21] Self-assembling tensegrity triangle with two turns of DNA and the sticky end addition of a two-turn linker per axis with R3 symmetry | Descriptor: | DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), DNA (5'-D(P*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*GP*AP*TP*GP*CP*TP*GP*AP*CP*GP*TP*AP*GP*TP*AP*GP*CP*AP*GP*AP*G)-3'), ... | Authors: | Woloszyn, K, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2022-02-28 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (9.5 Å) | Cite: | Augmented DNA Nanoarchitectures: A Structural Library of 3D Self-Assembling Tensegrity Triangle Variants. Adv Mater, 34, 2022
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7U3T
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![BU of 7u3t by Molmil](/molmil-images/mine/7u3t) | [F223] Self-assembling tensegrity triangle with two turns, two turns and three turns of DNA per axis by extension with P1 symmetry | Descriptor: | DNA (31-MER), DNA (5'-D(*AP*AP*CP*CP*TP*AP*CP*CP*TP*GP*GP*CP*AP*GP*GP*AP*CP*GP*AP*CP*T)-3'), DNA (5'-D(*CP*AP*CP*GP*AP*GP*CP*CP*TP*GP*AP*TP*CP*GP*GP*AP*CP*AP*AP*GP*A)-3'), ... | Authors: | Woloszyn, K, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P, Zhu, E. | Deposit date: | 2022-02-28 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (4.69 Å) | Cite: | Augmented DNA Nanoarchitectures: A Structural Library of 3D Self-Assembling Tensegrity Triangle Variants. Adv Mater, 34, 2022
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4YMP
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![BU of 4ymp by Molmil](/molmil-images/mine/4ymp) | |
6HW1
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![BU of 6hw1 by Molmil](/molmil-images/mine/6hw1) | ROOM TEMPERATURE STRUCTURE OF LIPASE FROM T. LANUGINOSA AT 2.5 A RESOLUTION IN CHIPX MICROFLUIDIC DEVICE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase, MAGNESIUM ION, ... | Authors: | Gavira, J.A, Fernadez-Penas, R, Martinez-Rodriguez, S, Verdugo-Escamilla, C. | Deposit date: | 2018-10-11 | Release date: | 2018-10-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 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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6PVB
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![BU of 6pvb by Molmil](/molmil-images/mine/6pvb) | The structure of NTMT1 in complex with compound 6 | Descriptor: | AMINO GROUP-()-(2~{S})-2-azanylpropanal-()-ISOLEUCINE-()-ARGININE-()-LYSINE-()-PROLINE-()-AMINO-ACETALDEHYDE-()-9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine, N-terminal Xaa-Pro-Lys N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Noinaj, N, Chen, D, Huang, R. | Deposit date: | 2019-07-20 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Probing the Plasticity in the Active Site of Protein N-terminal Methyltransferase 1 Using Bisubstrate Analogues. J.Med.Chem., 63, 2020
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7U3O
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![BU of 7u3o by Molmil](/molmil-images/mine/7u3o) | [a2T7] Self-assembling asymmetric tensegrity triangle with P1 symmetry | Descriptor: | DNA (5'-D(*AP*AP*CP*CP*TP*AP*CP*CP*TP*GP*GP*CP*AP*GP*GP*AP*CP*GP*AP*CP*T)-3'), DNA (5'-D(*CP*AP*CP*GP*AP*GP*CP*CP*TP*GP*AP*TP*CP*GP*GP*AP*CP*AP*AP*GP*A)-3'), DNA (5'-D(*GP*AP*GP*CP*GP*AP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), ... | Authors: | Woloszyn, K, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2022-02-28 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Augmented DNA Nanoarchitectures: A Structural Library of 3D Self-Assembling Tensegrity Triangle Variants. Adv Mater, 34, 2022
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7U3U
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![BU of 7u3u by Molmil](/molmil-images/mine/7u3u) | [L223] Self-assembling tensegrity triangle with two turns, two turns and three turns of DNA per axis by linker addition with P1 symmetry | Descriptor: | DNA (5'-D(*AP*AP*CP*CP*TP*AP*CP*TP*TP*GP*GP*CP*AP*GP*GP*AP*CP*GP*AP*CP*T)-3'), DNA (5'-D(*AP*CP*GP*CP*GP*AP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(*CP*AP*CP*GP*AP*GP*CP*CP*TP*GP*AP*TP*CP*GP*GP*AP*CP*AP*AP*GP*A)-3'), ... | Authors: | Woloszyn, K, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2022-02-28 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (4.46 Å) | Cite: | Augmented DNA Nanoarchitectures: A Structural Library of 3D Self-Assembling Tensegrity Triangle Variants. Adv Mater, 34, 2022
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7U3X
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![BU of 7u3x by Molmil](/molmil-images/mine/7u3x) | [F233] Self-assembling tensegrity triangle with two turns, three turns and three turns of DNA per axis by extension with P1 symmetry | Descriptor: | DNA (31-MER), DNA (5'-D(*AP*AP*CP*CP*TP*AP*CP*CP*TP*GP*GP*CP*AP*GP*GP*AP*CP*GP*AP*CP*T)-3'), DNA (5'-D(*TP*CP*TP*AP*GP*CP*AP*TP*AP*GP*AP*CP*TP*GP*AP*TP*GP*TP*GP*GP*TP*AP*GP*G)-3'), ... | Authors: | Woloszyn, K, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2022-02-28 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (5.68 Å) | Cite: | Augmented DNA Nanoarchitectures: A Structural Library of 3D Self-Assembling Tensegrity Triangle Variants. Adv Mater, 34, 2022
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7U40
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![BU of 7u40 by Molmil](/molmil-images/mine/7u40) | [L244] Self-assembling tensegrity triangle with two turns, four turns and four turns of DNA per axis by linker addition with P1 symmetry | Descriptor: | DNA (5'-D(*AP*AP*CP*CP*TP*AP*CP*CP*TP*GP*GP*CP*AP*GP*GP*AP*CP*GP*AP*CP*T)-3'), DNA (5'-D(*TP*TP*AP*GP*TP*CP*GP*TP*GP*GP*CP*TP*CP*G)-3'), DNA (5'-D(P*AP*CP*TP*GP*AP*TP*GP*TP*GP*GP*TP*AP*GP*G)-3'), ... | Authors: | Woloszyn, K, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2022-02-28 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (7.55 Å) | Cite: | Augmented DNA Nanoarchitectures: A Structural Library of 3D Self-Assembling Tensegrity Triangle Variants. Adv Mater, 34, 2022
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7U44
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![BU of 7u44 by Molmil](/molmil-images/mine/7u44) | [F344] Self-assembling tensegrity triangle with three turns, four turns and four turns of DNA per axis by extension with P1 symmetry | Descriptor: | DNA (31-MER), DNA (35-MER), DNA (42-MER), ... | Authors: | Woloszyn, K, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2022-02-28 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (8.46 Å) | Cite: | Augmented DNA Nanoarchitectures: A Structural Library of 3D Self-Assembling Tensegrity Triangle Variants. Adv Mater, 34, 2022
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8T5R
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![BU of 8t5r by Molmil](/molmil-images/mine/8t5r) | SOS2 crystal structure with fragment bound (compound 13) | Descriptor: | 4-(aminomethyl)benzene-1-sulfonamide, SULFATE ION, Son of sevenless homolog 2 | Authors: | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | Deposit date: | 2023-06-14 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. J.Med.Chem., 67, 2024
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7TVP
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![BU of 7tvp by Molmil](/molmil-images/mine/7tvp) | Viral AMG chitosanase V-Csn, E157Q mutant, chitotriose complex | Descriptor: | 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, GLYCEROL, Viral chitosanase V-Csn E157Q mutant chitotriose complex | Authors: | Smith, C.A, Wu, R, Buchko, G.W, Cort, J.R, Hofmockel, K.S, Jansson, J.K. | Deposit date: | 2022-02-05 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural characterization of a soil viral auxiliary metabolic gene product - a functional chitosanase. Nat Commun, 13, 2022
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7TVM
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![BU of 7tvm by Molmil](/molmil-images/mine/7tvm) | Viral AMG chitosanase V-Csn, apo structure, crystal form 2 | Descriptor: | 1,2-ETHANEDIOL, Viral chitosanase V-Csn | Authors: | Smith, C.A, Wu, R, Buchko, G.W, Cort, J.R, Hofmockel, K.S, Jansson, J.K. | Deposit date: | 2022-02-05 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural characterization of a soil viral auxiliary metabolic gene product - a functional chitosanase. Nat Commun, 13, 2022
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