3KRF
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![BU of 3krf by Molmil](/molmil-images/mine/3krf) | Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium, IPP, and DMASPP (I) | Descriptor: | 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ... | Authors: | Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J. | Deposit date: | 2009-11-18 | Release date: | 2010-02-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation Plant Cell, 22, 2010
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7QU6
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![BU of 7qu6 by Molmil](/molmil-images/mine/7qu6) | Crystal structure of the N-terminal domain of Siglec-8 | Descriptor: | Sialic acid-binding Ig-like lectin 8 | Authors: | Lenza, M.P, Atxabal, U, Nycholat, C.M, Oyenarte, I, Paulson, J.C, Franconetti, A, Quintana, J.I, Unione, L, Delgado, S, Jimenez-Barbero, J, Ereno-Orbea, J. | Deposit date: | 2022-01-17 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody. Jacs Au, 3, 2023
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7O2K
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4BQU
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![BU of 4bqu by Molmil](/molmil-images/mine/4bqu) | Japanin from Rhipicephalus appendiculatus bound to cholesterol: Orthorhombic crystal form | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Roversi, P, Johnson, S, Preston, S, Austyn, J.M, Nuttall, P, Lea, S.M. | Deposit date: | 2013-06-02 | Release date: | 2014-06-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural basis of cholesterol binding by a novel clade of dendritic cell modulators from ticks. Sci Rep, 7, 2017
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6BN7
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![BU of 6bn7 by Molmil](/molmil-images/mine/6bn7) | Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET23 PROTAC. | Descriptor: | Bromodomain-containing protein 4, DNA damage-binding protein 1, Protein cereblon, ... | Authors: | Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S. | Deposit date: | 2017-11-16 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.501 Å) | Cite: | Plasticity in binding confers selectivity in ligand-induced protein degradation. Nat. Chem. Biol., 14, 2018
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7QSC
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![BU of 7qsc by Molmil](/molmil-images/mine/7qsc) | GTPase IN COMPLEX WITH GDP.MGF3- | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... | Authors: | Baumann, P, Jin, Y. | Deposit date: | 2022-01-13 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | GTPase IN COMPLEX WITH GDP.MGF3- To Be Published
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7QTM
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6MTU
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![BU of 6mtu by Molmil](/molmil-images/mine/6mtu) | Crystal structure of human Scribble PDZ1:pMCC complex | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Colorectal mutant cancer protein, ... | Authors: | Caria, S, Stewart, B.Z, Humbert, P.O, Kvansakul, M. | Deposit date: | 2018-10-22 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.141 Å) | Cite: | Structural analysis of phosphorylation-associated interactions of human MCC with Scribble PDZ domains. Febs J., 286, 2019
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4LKV
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![BU of 4lkv by Molmil](/molmil-images/mine/4lkv) | Determinants of lipid substrate and membrane binding for the tetraacyldisaccharide-1-phosphate 4 -kinase LpxK | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Emptage, R.P, Tonthat, N.K, York, J.D, Schumacher, M.A, Zhou, P. | Deposit date: | 2013-07-08 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5109 Å) | Cite: | Structural Basis of Lipid Binding for the Membrane-embedded Tetraacyldisaccharide-1-phosphate 4'-Kinase LpxK. J.Biol.Chem., 289, 2014
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6GYJ
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![BU of 6gyj by Molmil](/molmil-images/mine/6gyj) | Mouse thymidylate synthase crystal soaked in phenolphthalein | Descriptor: | 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one, DIMETHYL SULFOXIDE, SULFATE ION, ... | Authors: | Maj, P, Jarmula, A, Wilk, P, Weiss, M.S, Rode, W. | Deposit date: | 2018-06-30 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Thymidylate synthase fragment screening To be published
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7OJ8
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![BU of 7oj8 by Molmil](/molmil-images/mine/7oj8) | ABCG2 E1S turnover-2 state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL, ... | Authors: | Ni, D, Yu, Q, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P. | Deposit date: | 2021-05-14 | Release date: | 2021-07-21 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism. Nat Commun, 12, 2021
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6YZN
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![BU of 6yzn by Molmil](/molmil-images/mine/6yzn) | Closo-carborane butyl-sulfonamide in complex with CA IX mimic | Descriptor: | Carbonic anhydrase 2, Carborane closo-butyl-sulfonamide, ZINC ION | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | Deposit date: | 2020-05-07 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
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6YZT
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![BU of 6yzt by Molmil](/molmil-images/mine/6yzt) | Closo-carborane propyl-sulfonamide in complex with CA II | Descriptor: | Carbonic anhydrase 2, Carborane propyl-sulfonamide, ZINC ION | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | Deposit date: | 2020-05-07 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
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6Z04
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![BU of 6z04 by Molmil](/molmil-images/mine/6z04) | Nido-carborane butyl-sulfonamide in complex with CA IX mimic | Descriptor: | Carbonic anhydrase 2, Carborane nido-butyl-sulfonamide, ZINC ION | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | Deposit date: | 2020-05-07 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. J Enzyme Inhib Med Chem, 35, 2020
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2JJR
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![BU of 2jjr by Molmil](/molmil-images/mine/2jjr) | V232K, N236D-trichosanthin | Descriptor: | DI(HYDROXYETHYL)ETHER, RIBOSOME-INACTIVATING PROTEIN ALPHA-TRICHOSANTHIN, SULFATE ION, ... | Authors: | Too, P.H, Ma, M.K, Mak, A.N, Tung, C.K, Zhu, G, Au, S.W, Wong, K.B, Shaw, P.C. | Deposit date: | 2008-04-21 | Release date: | 2008-12-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The C-Terminal Fragment of the Ribosomal P Protein Complexed to Trichosanthin Reveals the Interaction between the Ribosome-Inactivating Protein and the Ribosome. Nucleic Acids Res., 37, 2009
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7WUQ
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![BU of 7wuq by Molmil](/molmil-images/mine/7wuq) | Tethered peptide activation mechanism of adhesion GPCRs ADGRG2 and ADGRG4 | Descriptor: | Adhesion G-protein coupled receptor G2,mCherry, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | He, Q.T, Guo, S.C, Xiao, P, Sun, J.P, Yu, X, Gou, L, Kong, L.L, Zhang, L. | Deposit date: | 2022-02-09 | Release date: | 2022-04-27 | Last modified: | 2022-05-11 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Tethered peptide activation mechanism of the adhesion GPCRs ADGRG2 and ADGRG4. Nature, 604, 2022
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6Z28
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4C7V
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![BU of 4c7v by Molmil](/molmil-images/mine/4c7v) | Apo Transketolase from Lactobacillus salivarius at 2.2A resolution | Descriptor: | TRANSKETOLASE | Authors: | Lobley, C.M.C, Lukacik, P, Bumann, M, Aller, P, Douangamath, A, O'Toole, P.W, Walsh, M.A. | Deposit date: | 2013-09-26 | Release date: | 2014-10-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | High Resolution Crystal Structures of Lactobacillus Salivarius Transketolase in the Presence and Absence of Thiamine Pyrophosphate Acta Crystallogr.,Sect.F, 71, 2015
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1MV8
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![BU of 1mv8 by Molmil](/molmil-images/mine/1mv8) | 1.55 A crystal structure of a ternary complex of GDP-mannose dehydrogenase from Psuedomonas aeruginosa | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, GDP-mannose 6-dehydrogenase, ... | Authors: | Snook, C.F, Tipton, P.A, Beamer, L.J. | Deposit date: | 2002-09-24 | Release date: | 2003-05-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The crystal structure of GDP-mannose
dehydrogenase: A key enzyme in alginate
biosynthesis of P. aeruginosa Biochemistry, 42, 2003
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6BID
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![BU of 6bid by Molmil](/molmil-images/mine/6bid) | 1.15 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor | Descriptor: | 3C-like protease, benzyl [(8S,11S,14S)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Weerawarna, P.M, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | Deposit date: | 2017-11-01 | Release date: | 2018-11-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease. Proteins, 87, 2019
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2JLY
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![BU of 2jly by Molmil](/molmil-images/mine/2jly) | Dengue virus 4 NS3 helicase in complex with ssRNA and ADP-Phosphate | Descriptor: | 5'-R(*AP*GP*AP*CP*UP*AP*AP*CP*AP*AP*CP*U)-3', ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Luo, D.H, Xu, T, Watson, R.P, Becker, D.S, Sampath, A, Jahnke, W, Yeong, S.S, Wang, C.H, Lim, S.P, Vasudevan, S.G, Lescar, J. | Deposit date: | 2008-09-15 | Release date: | 2008-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Insights Into RNA Unwinding and ATP Hydrolysis by the Flavivirus Ns3 Protein. Embo J., 27, 2008
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7QUM
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![BU of 7qum by Molmil](/molmil-images/mine/7qum) | ATAD2 in complex with FragLite2 | Descriptor: | 1,2-ETHANEDIOL, 4-IODOPYRAZOLE, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-01-18 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7QCU
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![BU of 7qcu by Molmil](/molmil-images/mine/7qcu) | Structure of the MUCIN-2 Cterminal domains partially deglycosylated. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mucin-2, ... | Authors: | Gallego, P, Hansson, G.C. | Deposit date: | 2021-11-25 | Release date: | 2023-03-08 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | The intestinal MUC2 mucin C-terminus is stabilized by an extra disulfide bond in comparison to von Willebrand factor and other gel-forming mucins. Nat Commun, 14, 2023
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7QCN
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7QYK
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![BU of 7qyk by Molmil](/molmil-images/mine/7qyk) | ATAD2 in complex with FragLite18 | Descriptor: | (4-bromanylpyridin-2-yl)methanol, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-01-28 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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