8TBL
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![BU of 8tbl by Molmil](/molmil-images/mine/8tbl) | Tricomplex of RMC-7977, KRAS G12D, and CypA | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ... | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-06-28 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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6CGD
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![BU of 6cgd by Molmil](/molmil-images/mine/6cgd) | Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Amikacin | Descriptor: | (2S)-N-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2S,3R,4S,5S ,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide, Bifunctional AAC/APH, CHLORIDE ION, ... | Authors: | Caldwell, S.J, Berghuis, A.M. | Deposit date: | 2018-02-20 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia. Antimicrob. Agents Chemother., 62, 2018
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6CID
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![BU of 6cid by Molmil](/molmil-images/mine/6cid) | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with N-(1-(Piperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-02-23 | Release date: | 2018-10-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides. Biochemistry, 57, 2018
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8TBM
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![BU of 8tbm by Molmil](/molmil-images/mine/8tbm) | Tricomplex of RMC-7977, KRAS G12V, and CypA | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GLYCEROL, GTPase KRas, ... | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-06-28 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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7RNA
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![BU of 7rna by Molmil](/molmil-images/mine/7rna) | |
8BRE
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6ZQ1
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![BU of 6zq1 by Molmil](/molmil-images/mine/6zq1) | Structure of AraDNJ-Bound MgGH51 a-L-Arabinofuranosidase Crystal Type 1 | Descriptor: | 1,4-DIDEOXY-1,4-IMINO-L-ARABINITOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | McGregor, N.G.S, Davies, G.J. | Deposit date: | 2020-07-09 | Release date: | 2020-11-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of a GH51 alpha-L-arabinofuranosidase from Meripilus giganteus: conserved substrate recognition from bacteria to fungi. Acta Crystallogr D Struct Biol, 76, 2020
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5FOH
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![BU of 5foh by Molmil](/molmil-images/mine/5foh) | Crystal structure of the catalytic domain of NcLPMO9A | Descriptor: | COPPER (II) ION, LITHIUM ION, POLYSACCHARIDE MONOOXYGENASE, ... | Authors: | Westereng, B, Kracun, S.K, Dimarogona, M, Mathiesen, G, Willats, W.G.T, Sandgren, M, Aachmann, F.L, Eijsink, V.G.H. | Deposit date: | 2015-11-18 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Comparison of three seemingly similar lytic polysaccharide monooxygenases fromNeurospora crassasuggests different roles in plant biomass degradation. J.Biol.Chem., 2019
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6R5J
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8SY2
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![BU of 8sy2 by Molmil](/molmil-images/mine/8sy2) | |
7LVP
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![BU of 7lvp by Molmil](/molmil-images/mine/7lvp) | Cryptococcus neoformans AIR synthetase | Descriptor: | 1,2-ETHANEDIOL, AIR synthase, GLYCINE, ... | Authors: | Chua, S.M.H, Luo, Z, Lim, B.Y.J, Kobe, B, Fraser, J.A. | Deposit date: | 2021-02-26 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structural features of Cryptococcus neoformans bifunctional GAR/AIR synthetase may present novel antifungal drug targets. J.Biol.Chem., 297, 2021
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6RBW
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![BU of 6rbw by Molmil](/molmil-images/mine/6rbw) | |
6I23
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![BU of 6i23 by Molmil](/molmil-images/mine/6i23) | Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism | Descriptor: | 1,2-ETHANEDIOL, 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Rizkallah, P.J, Kalvaitis, M.E, Allemann, R.K, Mart, R.J, Johnson, L.A. | Deposit date: | 2018-10-31 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain upon Photoactivation. Biochemistry, 58, 2019
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6R5L
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![BU of 6r5l by Molmil](/molmil-images/mine/6r5l) | Fragment AZ-006 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | Deposit date: | 2019-03-25 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.884 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6GUE
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![BU of 6gue by Molmil](/molmil-images/mine/6gue) | CDK2/CyclinA in complex with AZD5438 | Descriptor: | 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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8TBN
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![BU of 8tbn by Molmil](/molmil-images/mine/8tbn) | Tricomplex of RMC-7977, KRAS G12S, and CypA | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ... | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-06-28 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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7ZOY
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![BU of 7zoy by Molmil](/molmil-images/mine/7zoy) | Crystal structure of Synechocystis halorhodopsin (SyHR), SO4-bound form, ground state | Descriptor: | CHLORIDE ION, EICOSANE, GLYCEROL, ... | Authors: | Kovalev, K, Bukhdruker, S, Astashkin, R, Vaganova, S, Gordeliy, V. | Deposit date: | 2022-04-26 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structural insights into light-driven anion pumping in cyanobacteria. Nat Commun, 13, 2022
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5WO1
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![BU of 5wo1 by Molmil](/molmil-images/mine/5wo1) | Chaperone Spy H96L bound to Im7 L18A L19A L37A (Im7 un-modeled) | Descriptor: | CHLORIDE ION, GLUTAMIC ACID, IMIDAZOLE, ... | Authors: | Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A. | Deposit date: | 2017-08-01 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Visualizing chaperone-assisted protein folding. Nat. Struct. Mol. Biol., 23, 2016
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6RC6
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![BU of 6rc6 by Molmil](/molmil-images/mine/6rc6) | |
7A77
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![BU of 7a77 by Molmil](/molmil-images/mine/7a77) | Crystal structure of RXR alpha LBD in complexes with palmitic acid and GRIP-1 peptide | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Nuclear receptor coactivator 2, ... | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-08-27 | Release date: | 2020-10-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms. Int J Mol Sci, 21, 2020
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7A79
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![BU of 7a79 by Molmil](/molmil-images/mine/7a79) | Crystal structure of RXR gamma LBD in complexes with palmitic acid and GRIP-1 peptide | Descriptor: | Nuclear receptor coactivator 2, PALMITIC ACID, Retinoic acid receptor RXR-gamma | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-08-27 | Release date: | 2020-10-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms. Int J Mol Sci, 21, 2020
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6IBD
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![BU of 6ibd by Molmil](/molmil-images/mine/6ibd) | The Phosphatase and C2 domains of Human SHIP1 | Descriptor: | Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | Authors: | Bradshaw, W.J, Williams, E.P, Fernandez-Cid, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2018-11-29 | Release date: | 2019-01-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2. Structure, 2024
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8TCA
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![BU of 8tca by Molmil](/molmil-images/mine/8tca) | Structure of a mouse IgG antibody antigen-binding fragment (Fab) targeting N6-methyladenosine (m6A), an RNA modification, no ligand | Descriptor: | 1,2-ETHANEDIOL, m6A binding IgG Fab, heavy chain, ... | Authors: | Angelo, M.C, Aoki, S.T. | Deposit date: | 2023-06-30 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structure of a mouse IgG antibody antigen-binding fragment (Fab) targeting N6-methyladenosine (m6A), an RNA modification To Be Published
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7ZSC
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![BU of 7zsc by Molmil](/molmil-images/mine/7zsc) | Crystal structure of the heterodimeric human C-P4H-II with truncated alpha subunit (C-P4H-II delta281) | Descriptor: | Prolyl 4-hydroxylase subunit alpha-2, Protein disulfide-isomerase, SULFATE ION | Authors: | Lebedev, A, Koski, M.K, Wierenga, R.K, Murthy, A.V, Sulu, R. | Deposit date: | 2022-05-06 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.85 Å) | Cite: | Crystal structure of the collagen prolyl 4-hydroxylase (C-P4H) catalytic domain complexed with PDI: Toward a model of the C-P4H alpha 2 beta 2 tetramer. J.Biol.Chem., 298, 2022
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7RNG
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