8OXX
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8OXV
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8OXY
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8FTQ
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![BU of 8ftq by Molmil](/molmil-images/mine/8ftq) | Crystal structure of hRpn13 Pru domain in complex with Ubiquitin and XL44 | Descriptor: | N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide, Proteasomal ubiquitin receptor ADRM1, Ubiquitin | Authors: | Walters, K.J, Lu, X, Chandravanshi, M. | Deposit date: | 2023-01-13 | Release date: | 2024-03-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structure-based designed small molecule depletes hRpn13 Pru and a select group of KEN box proteins. Nat Commun, 15, 2024
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6WWB
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![BU of 6wwb by Molmil](/molmil-images/mine/6wwb) | Crystal Structure of the second bromodomain of human BRD2 in complex with the compound 3b | Descriptor: | 1,2-ETHANEDIOL, 2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1H-1,2,3-triazol-4-yl)methyl)acetamide, Bromodomain-containing protein 2 | Authors: | White, S.W, Yun, M. | Deposit date: | 2020-05-08 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Phenyl-Glutarimides: Alternative Cereblon Binders for the Design of PROTACs. Angew.Chem.Int.Ed.Engl., 60, 2021
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6YFY
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![BU of 6yfy by Molmil](/molmil-images/mine/6yfy) | Solid-state NMR structure of the D-Arg4,L10-teixobactin - Lipid II complex in lipid bilayers. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, 3-methylbut-2-en-1-ol, D-Arg4,Leu10-Teixobactin, ... | Authors: | Weingarth, M.H, Shukla, R. | Deposit date: | 2020-03-26 | Release date: | 2020-06-10 | Last modified: | 2023-11-15 | Method: | SOLID-STATE NMR | Cite: | Mode of action of teixobactins in cellular membranes. Nat Commun, 11, 2020
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7TN2
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![BU of 7tn2 by Molmil](/molmil-images/mine/7tn2) | Composite model of a Chd1-nucleosome complex in the nucleotide-free state derived from 2.3A and 2.7A Cryo-EM maps | Descriptor: | Chromo domain-containing protein 1, DNA Lagging Strand, DNA Tracking Strand, ... | Authors: | Nodelman, I.M, Bowman, G.D, Armache, J.-P. | Deposit date: | 2022-01-20 | Release date: | 2022-03-02 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Nucleosome recognition and DNA distortion by the Chd1 remodeler in a nucleotide-free state. Nat.Struct.Mol.Biol., 29, 2022
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5XLW
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![BU of 5xlw by Molmil](/molmil-images/mine/5xlw) | Mycobacterium tuberculosis Pantothenate kinase mutant F247A/F254A | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | Authors: | Paul, A, Kumar, P, Surolia, A, Vijayan, M. | Deposit date: | 2017-05-11 | Release date: | 2018-05-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Biochemical and structural studies of mutants indicate concerted movement of the dimer interface and ligand-binding region of Mycobacterium tuberculosis pantothenate kinase Acta Crystallogr F Struct Biol Commun, 73, 2017
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5XLV
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![BU of 5xlv by Molmil](/molmil-images/mine/5xlv) | Mycobacterium tuberculosis Pantothenate kinase mutant F254A | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Pantothenate kinase, ... | Authors: | Paul, A, Kumar, P, Surolia, A, Vijayan, M. | Deposit date: | 2017-05-11 | Release date: | 2018-05-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biochemical and structural studies of mutants indicate concerted movement of the dimer interface and ligand-binding region of Mycobacterium tuberculosis pantothenate kinase Acta Crystallogr F Struct Biol Commun, 73, 2017
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7DK1
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![BU of 7dk1 by Molmil](/molmil-images/mine/7dk1) | Crystal structure of Zinc bound SARS-CoV-2 main protease | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Sonkar, K.S, Panchariya, L, Kuila, S, Khan, W.A, Arockiasamy, A. | Deposit date: | 2020-11-22 | Release date: | 2021-06-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Zinc 2+ ion inhibits SARS-CoV-2 main protease and viral replication in vitro. Chem.Commun.(Camb.), 57, 2021
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5XMB
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![BU of 5xmb by Molmil](/molmil-images/mine/5xmb) | Mycobacterium tuberculosis Pantothenate kinase mutant F247A | Descriptor: | Pantothenate kinase, SULFATE ION | Authors: | Paul, A, Kumar, P, Surolia, A, Vijayan, M. | Deposit date: | 2017-05-13 | Release date: | 2018-05-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Biochemical and structural studies of mutants indicate concerted movement of the dimer interface and ligand-binding region of Mycobacterium tuberculosis pantothenate kinase Acta Crystallogr F Struct Biol Commun, 73, 2017
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6SDG
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5YIY
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6CHW
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![BU of 6chw by Molmil](/molmil-images/mine/6chw) | Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942. | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, DIMETHYL SULFOXIDE, ... | Authors: | Larsen, N.A. | Deposit date: | 2018-02-23 | Release date: | 2018-03-21 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer. Cancer Discov, 8, 2018
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6SC4
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![BU of 6sc4 by Molmil](/molmil-images/mine/6sc4) | Gamma-Carbonic Anhydrase from the Haloarchaeon Halobacterium sp. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CADMIUM ION, ... | Authors: | Vogler, M, Karan, R, Renn, D, Vancea, A, Vielberg, V.-T, Groetzinger, S.W, DasSarma, P, Das Sarma, S, Eppinger, J, Groll, M, Rueping, M. | Deposit date: | 2019-07-23 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure and Active Site Engineering of a Halophilic gamma-Carbonic Anhydrase. Front Microbiol, 11, 2020
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2IVX
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![BU of 2ivx by Molmil](/molmil-images/mine/2ivx) | Crystal structure of human cyclin T2 at 1.8 A resolution | Descriptor: | 1,2-ETHANEDIOL, CYCLIN-T2 | Authors: | Debreczeni, J.E, Bullock, A.N, Fedorov, O, Savitsky, P, Berridge, G, Das, S, Pike, A.C.W, Turnbull, A, Ugochukwu, E, Papagrigoriou, E, Gorrec, F, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S. | Deposit date: | 2006-06-21 | Release date: | 2006-07-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation. EMBO J., 27, 2008
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2JJD
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![BU of 2jjd by Molmil](/molmil-images/mine/2jjd) | Protein Tyrosine Phosphatase, Receptor Type, E isoform | Descriptor: | CHLORIDE ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE EPSILON | Authors: | Elkins, J.M, Ugochukwu, E, Alfano, I, Barr, A.J, Bunkoczi, G, King, O.N.F, Filippakopoulos, P, Savitsky, P, Salah, E, Pike, A, Johansson, C, Das, S, Burgess-Brown, N.A, Gileadi, O, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S. | Deposit date: | 2008-03-31 | Release date: | 2008-04-08 | Last modified: | 2012-06-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Large-Scale Structural Analysis of the Classical Human Protein Tyrosine Phosphatome. Cell(Cambridge,Mass.), 136, 2009
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2J7T
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![BU of 2j7t by Molmil](/molmil-images/mine/2j7t) | Crystal structure of human serine threonine kinase-10 bound to SU11274 | Descriptor: | (3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)-N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE, ACETATE ION, CALCIUM ION, ... | Authors: | Pike, A.C.W, Rellos, P, Fedorov, O, Das, S, Debreczeni, J, Sobott, F, Watt, S, Savitsky, P, Eswaran, J, Turnbull, A.P, Papagrigoriou, E, Ugochukwa, E, Gorrec, F, Umeano, C.C, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | Deposit date: | 2006-10-17 | Release date: | 2006-11-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites. Embo J., 27, 2008
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7FDS
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![BU of 7fds by Molmil](/molmil-images/mine/7fds) | High resolution crystal structure of LpqH from Mycobacterium tuberculosis | Descriptor: | Lipoprotein LpqH | Authors: | Kundapura, S.V, Chatterjee, S, Samanta, D, Ramagopal, U.A. | Deposit date: | 2021-07-17 | Release date: | 2021-12-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.258 Å) | Cite: | High-resolution crystal structure of LpqH, an immunomodulatory surface lipoprotein of Mycobacterium tuberculosis reveals a distinct fold and a conserved cleft on its surface. Int.J.Biol.Macromol., 210, 2022
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5WYE
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5DNI
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![BU of 5dni by Molmil](/molmil-images/mine/5dni) | Crystal structure of Methanocaldococcus jannaschii Fumarate hydratase beta subunit | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Jayaraman, V, Kunala, J, Balaram, H. | Deposit date: | 2015-09-10 | Release date: | 2016-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Revisiting the Burden Borne by Fumarase: Enzymatic Hydration of an Olefin. Biochemistry, 62, 2023
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7KXI
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![BU of 7kxi by Molmil](/molmil-images/mine/7kxi) | Structure of XL5-ligated hRpn13 Pru domain | Descriptor: | 2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid, Proteasomal ubiquitin receptor ADRM1 | Authors: | Lu, X, Walters, K.J. | Deposit date: | 2020-12-03 | Release date: | 2021-12-15 | Last modified: | 2021-12-29 | Method: | SOLUTION NMR | Cite: | Structure-guided bifunctional molecules hit a DEUBAD-lacking hRpn13 species upregulated in multiple myeloma. Nat Commun, 12, 2021
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7D40
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7D95
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7D96
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