6SVA
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![BU of 6sva by Molmil](/molmil-images/mine/6sva) | Multicrystal structure of equine Haemoglobin at room temperature using a multilayer monochromator. | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sandy, J, Sanchez-Weatherby, J, Mikolajek, H, Lewis, G, Angus, R. | Deposit date: | 2019-09-18 | Release date: | 2019-11-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Protein-to-structure pipeline for ambient-temperature crystallography at VMXi Iucrj, 2023
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7ZGV
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![BU of 7zgv by Molmil](/molmil-images/mine/7zgv) | Serratia NucC bound to cA3 | Descriptor: | ACETATE ION, CALCIUM ION, RNA (5'-R(P*AP*AP*A)-3'), ... | Authors: | Garcia-Doval, C, Mayo-Munoz, D, Smith, L.M, Fineran, P.C. | Deposit date: | 2022-04-04 | Release date: | 2022-10-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Type III CRISPR-Cas provides resistance against nucleus-forming jumbo phages via abortive infection. Mol.Cell, 82, 2022
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7ZGW
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6SLC
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7ZRA
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![BU of 7zra by Molmil](/molmil-images/mine/7zra) | Crystal structure of E.coli LexA in complex with nanobody NbSOS1(Nb14497) | Descriptor: | 1,2-ETHANEDIOL, LexA repressor, Nanobody NbSOS1 (Nb14497) | Authors: | Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L. | Deposit date: | 2022-05-04 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway. Structure, 30, 2022
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6SZM
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![BU of 6szm by Molmil](/molmil-images/mine/6szm) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2009 | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine, AMMONIUM ION, ... | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2019-10-02 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma. J.Med.Chem., 63, 2020
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7ZV5
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6VQL
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7ZV7
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7ZV8
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![BU of 7zv8 by Molmil](/molmil-images/mine/7zv8) | Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 58 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, OCTANOIC ACID (CAPRYLIC ACID), ... | Authors: | Rahimova, R, Di Micco, S, Marquez, J.A. | Deposit date: | 2022-05-13 | Release date: | 2022-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.937 Å) | Cite: | Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2. Eur.J.Med.Chem., 244, 2022
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6FHK
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6W6D
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![BU of 6w6d by Molmil](/molmil-images/mine/6w6d) | Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with SGC6870 inhibitor | Descriptor: | (5R)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Halabelian, L, Zeng, H, Dong, A, Jin, J, Shen, Y, Kaniskan, H.U, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2020-03-16 | Release date: | 2020-04-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | A First-in-Class, Highly Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 6. J.Med.Chem., 64, 2021
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6W78
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![BU of 6w78 by Molmil](/molmil-images/mine/6w78) | crystal structure of a plant ice-binding protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antifreeze polypeptide | Authors: | Wang, Y.N, Zhang, H.Q. | Deposit date: | 2020-03-18 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.311 Å) | Cite: | Carrot 'antifreeze' protein has an irregular ice-binding site that confers weak freezing point depression but strong inhibition of ice recrystallization. Biochem.J., 477, 2020
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7ZJZ
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![BU of 7zjz by Molmil](/molmil-images/mine/7zjz) | catalytically non active S532A mutant of oligopeptidase B from S. proteomaculans | Descriptor: | Oligopeptidase B, SPERMINE | Authors: | Petrenko, D.E, Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Mikhailova, A.G, Timofeev, V.I, Rakitina, T.V. | Deposit date: | 2022-04-12 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Elucidation of the Conformational Transition of Oligopeptidase B by an Integrative Approach Based on the Combination of X-ray, SAXS, and Essential Dynamics Sampling Simulation Crystals, 12, 2022
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8QM3
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6W5K
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![BU of 6w5k by Molmil](/molmil-images/mine/6w5k) | 1.95 A resolution structure of Norovirus 3CL protease in complex with inhibitor 5g | Descriptor: | 3C-LIKE PROTEASE, N~2~-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-03-13 | Release date: | 2020-09-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. J.Med.Chem., 63, 2020
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7ZJS
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8DIQ
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![BU of 8diq by Molmil](/molmil-images/mine/8diq) | Tubulin-RB3_SLD-TTL in complex with SB226 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[2-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2022-06-29 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.395 Å) | Cite: | SB226, an inhibitor of tubulin polymerization, inhibits paclitaxel-resistant melanoma growth and spontaneous metastasis. Cancer Lett., 555, 2022
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6T9R
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![BU of 6t9r by Molmil](/molmil-images/mine/6t9r) | Aplysia californica AChBP in complex with a cytisine derivative | Descriptor: | (1~{R},9~{S})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine binding protein, ... | Authors: | Davis, S, Hunter, W.N. | Deposit date: | 2019-10-28 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The thermodynamic profile and molecular interactions of a C(9)-cytisine derivative-binding acetylcholine-binding protein from Aplysia californica. Acta Crystallogr.,Sect.F, 76, 2020
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8A24
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8A25
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![BU of 8a25 by Molmil](/molmil-images/mine/8a25) | Lysophospholipase PlaA from Legionella pneumophila str. Corby - complex with PEG fragment | Descriptor: | (R,R)-2,3-BUTANEDIOL, IODIDE ION, Lysophospholipase A, ... | Authors: | Diwo, M.G, Blankenfeldt, W. | Deposit date: | 2022-06-02 | Release date: | 2023-06-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure-function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA. Mol.Microbiol., 121, 2024
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8A26
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![BU of 8a26 by Molmil](/molmil-images/mine/8a26) | Lysophospholipase PlaA from Legionella pneumophila str. Corby - complex with palmitate | Descriptor: | (R,R)-2,3-BUTANEDIOL, Lysophospholipase A, MALONIC ACID, ... | Authors: | Diwo, M.G, Blankenfeldt, W. | Deposit date: | 2022-06-02 | Release date: | 2023-06-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure-function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA. Mol.Microbiol., 121, 2024
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6VR6
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![BU of 6vr6 by Molmil](/molmil-images/mine/6vr6) | Structure of ALDH9A1 complexed with NAD+ in space group P1 | Descriptor: | 4-trimethylaminobutyraldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Wyatt, J.W, Tanner, J.J. | Deposit date: | 2020-02-06 | Release date: | 2020-08-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inhibition, crystal structures, and in-solution oligomeric structure of aldehyde dehydrogenase 9A1. Arch.Biochem.Biophys., 691, 2020
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7B5G
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![BU of 7b5g by Molmil](/molmil-images/mine/7b5g) | Crystal structure of E.coli LexA in complex with nanobody NbSOS3(Nb14527) | Descriptor: | 1,2-ETHANEDIOL, LexA repressor, Nanobody Nb14527, ... | Authors: | Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L. | Deposit date: | 2020-12-03 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway. Structure, 30, 2022
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6TAE
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![BU of 6tae by Molmil](/molmil-images/mine/6tae) | Neutron structure of ferric ascorbate peroxidase | Descriptor: | Ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Kwon, H, Basran, J, Devos, J.M, Schrader, T.E, Ostermann, A, Blakeley, M.P, Raven, E.L, Moody, P.C.E. | Deposit date: | 2019-10-29 | Release date: | 2020-03-18 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | Cite: | Visualizing the protons in a metalloenzyme electron proton transfer pathway. Proc.Natl.Acad.Sci.USA, 117, 2020
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