7H00
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![BU of 7h00 by Molmil](/molmil-images/mine/7h00) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011221-001 | Descriptor: | (4M)-4-(4-{[(1S)-1-(2,3-dihydro[1,4]dioxino[2,3-b]pyridin-6-yl)-2,2-dimethylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile, Papain-like protease nsp3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7A3G
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![BU of 7a3g by Molmil](/molmil-images/mine/7a3g) | Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, 91 | Descriptor: | 1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione, CHLORIDE ION, Dipeptidyl peptidase 8, ... | Authors: | Ross, B.H, Huber, R. | Deposit date: | 2020-08-18 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9. Angew.Chem.Int.Ed.Engl., 2022
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7H0D
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![BU of 7h0d by Molmil](/molmil-images/mine/7h0d) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011446-001 | Descriptor: | 7-[(1S)-1-{[(6P)-6-(1,3-dimethyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione, Papain-like protease nsp3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.298 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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2YFO
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![BU of 2yfo by Molmil](/molmil-images/mine/2yfo) | GALACTOSIDASE DOMAIN OF ALPHA-GALACTOSIDASE-SUCROSE KINASE, AGASK, in complex with galactose | Descriptor: | ALPHA-GALACTOSIDASE-SUCROSE KINASE AGASK, GLYCEROL, PHOSPHATE ION, ... | Authors: | Sulzenbacher, G, Bruel, L, Tison-Cervera, M, Pujol, A, Nicoletti, C, Perrier, J, Galinier, A, Ropartz, D, Fons, M, Pompeo, F, Giardina, T. | Deposit date: | 2011-04-07 | Release date: | 2011-09-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Agask, a Bifunctional Enzyme from the Human Microbiome Coupling Galactosidase and Kinase Activities J.Biol.Chem., 286, 2011
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2LRI
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![BU of 2lri by Molmil](/molmil-images/mine/2lri) | NMR structure of the second PHD finger of AIRE (AIRE-PHD2) | Descriptor: | Autoimmune regulator, ZINC ION | Authors: | Gaetani, M, Chignola, F, Mollica, L, Quilici, G, Mannella, V, Spiliotopoulos, D, Musco, G. | Deposit date: | 2012-04-03 | Release date: | 2012-10-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | AIRE-PHD fingers are structural hubs to maintain the integrity of chromatin-associated interactome. Nucleic Acids Res., 40, 2012
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3GW6
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![BU of 3gw6 by Molmil](/molmil-images/mine/3gw6) | Intramolecular Chaperone | Descriptor: | BROMIDE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Schulz, E.C, Dickmanns, A, Ficner, R. | Deposit date: | 2009-03-31 | Release date: | 2010-02-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of an intramolecular chaperone mediating triple-beta-helix folding. Nat.Struct.Mol.Biol., 17, 2010
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2LTM
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![BU of 2ltm by Molmil](/molmil-images/mine/2ltm) | Solution NMR Structure of NFU1 Iron-Sulfur Cluster Scaffold Homolog from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR2876B | Descriptor: | NFU1 iron-sulfur cluster scaffold homolog, mitochondrial | Authors: | Liu, G, Xiao, R, Janjua, H, Hamilton, K, Shastry, R, Kohan, E, Acton, T.B, Everett, J.K, Lee, H, Huang, Y.J, Montelione, G.T, Northeast Structural Genomics Consortium (NESG), Mitochondrial Protein Partnership (MPP) | Deposit date: | 2012-05-29 | Release date: | 2012-07-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of NFU1 Iron-Sulfur Cluster Scaffold Homolog from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR2876B To be Published
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7H0P
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![BU of 7h0p by Molmil](/molmil-images/mine/7h0p) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008445-001 | Descriptor: | (2S,3S)-3-(4-bromophenyl)-2-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid, Papain-like protease nsp3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7SDF
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![BU of 7sdf by Molmil](/molmil-images/mine/7sdf) | [C:Ag+:S] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*CP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*(IMC)P*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-09-29 | Release date: | 2022-10-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.46 Å) | Cite: | Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction. Adv Mater, 2023
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5JY7
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![BU of 5jy7 by Molmil](/molmil-images/mine/5jy7) | |
7SDX
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![BU of 7sdx by Molmil](/molmil-images/mine/7sdx) | [U:Hg2+:mC] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*(5CM)P*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-09-29 | Release date: | 2022-10-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.89 Å) | Cite: | Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction. Adv Mater, 2023
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5K1J
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![BU of 5k1j by Molmil](/molmil-images/mine/5k1j) | Human TTR altered by a rhenium tris-carbonyl Pyta-C8 derivative | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Stura, E.A, Ciccone, L, Shepard, W. | Deposit date: | 2016-05-18 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Human TTR conformation altered by rhenium tris-carbonyl derivatives. J.Struct.Biol., 195, 2016
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7DBD
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![BU of 7dbd by Molmil](/molmil-images/mine/7dbd) | 444 in complex with tubulin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Wu, C.Y, Wang, Y.X. | Deposit date: | 2020-10-19 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.094 Å) | Cite: | 444 in complex with tubulin To Be Published
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7A3L
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![BU of 7a3l by Molmil](/molmil-images/mine/7a3l) | |
2HPP
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![BU of 2hpp by Molmil](/molmil-images/mine/2hpp) | |
3GY7
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![BU of 3gy7 by Molmil](/molmil-images/mine/3gy7) | A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC | Descriptor: | 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ... | Authors: | Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. | Deposit date: | 2009-04-03 | Release date: | 2010-03-23 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model. Int.J.Biol.Macromol., 46, 2010
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7DBC
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![BU of 7dbc by Molmil](/molmil-images/mine/7dbc) | PRA in complex with tubulin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Wu, C.Y, Wang, Y.X. | Deposit date: | 2020-10-19 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | PRA in complex with tubulin To Be Published
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6ZWX
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![BU of 6zwx by Molmil](/molmil-images/mine/6zwx) | Crystal structure of E. coli RNA helicase HrpA | Descriptor: | ATP-dependent RNA helicase HrpA | Authors: | Grass, L.M, Wollenhaupt, J, Barthel, T, Loll, B, Wahl, M.C. | Deposit date: | 2020-07-29 | Release date: | 2021-06-30 | Last modified: | 2021-08-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Large-scale ratcheting in a bacterial DEAH/RHA-type RNA helicase that modulates antibiotics susceptibility. Proc.Natl.Acad.Sci.USA, 118, 2021
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2YZB
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![BU of 2yzb by Molmil](/molmil-images/mine/2yzb) | Crystal structure of uricase from Arthrobacter globiformis in complex with uric acid (substrate) | Descriptor: | URIC ACID, Uricase | Authors: | Juan, E.C.M, Hossain, M.T, Hoque, M.M, Suzuki, K, Sekiguchi, T, Takenaka, A. | Deposit date: | 2007-05-05 | Release date: | 2008-05-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Trapping of the uric acid substrate in the crystal structure of urate oxidase from Arthrobacter globiformis To be Published
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7H01
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![BU of 7h01 by Molmil](/molmil-images/mine/7h01) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011192-001 | Descriptor: | 7-[(1S)-2-methyl-1-{[(6M)-6-(1-methyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}propyl]-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione, Papain-like protease nsp3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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2HPQ
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![BU of 2hpq by Molmil](/molmil-images/mine/2hpq) | |
2L5Q
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![BU of 2l5q by Molmil](/molmil-images/mine/2l5q) | Solution NMR Structure of BVU_3817 from Bacteroides vulgatus, Northeast Structural Genomics Consortium Target BvR159 | Descriptor: | Uncharacterized protein | Authors: | Mills, J.L, Eletsky, A, Lee, H, Wang, H, Ciccosanti, C, Hamilton, K, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-11-03 | Release date: | 2011-01-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Northeast Structural Genomics Consortium Target BvR159 To be Published
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7SDQ
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![BU of 7sdq by Molmil](/molmil-images/mine/7sdq) | [mC:Ag+:U] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*(5CM)P*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2021-09-29 | Release date: | 2022-10-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (4.3 Å) | Cite: | Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction. Adv Mater, 2023
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7A3J
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![BU of 7a3j by Molmil](/molmil-images/mine/7a3j) | Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, A272 | Descriptor: | 2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide, CHLORIDE ION, Dipeptidyl peptidase 8, ... | Authors: | Ross, B.H, Huber, R. | Deposit date: | 2020-08-18 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9. Angew.Chem.Int.Ed.Engl., 2022
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7H0O
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![BU of 7h0o by Molmil](/molmil-images/mine/7h0o) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0012310-001 | Descriptor: | 7-{(1S)-2-methyl-1-[(9H-purin-6-yl)amino]propyl}-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione, Papain-like protease nsp3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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