2I1F
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![BU of 2i1f by Molmil](/molmil-images/mine/2i1f) | DPC micelle-bound NMR structures of Tritrp3 | Descriptor: | 13-mer analogue of Prophenin-1 containing WWW | Authors: | Schibli, D.J, Nguyen, L.T. | Deposit date: | 2006-08-14 | Release date: | 2006-11-28 | Last modified: | 2021-11-03 | Method: | SOLUTION NMR | Cite: | Structure-function analysis of tritrpticin analogs: potential relationships between antimicrobial activities, model membrane interactions, and their micelle-bound NMR structures Biophys.J., 91, 2006
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8PR9
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5M66
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7LFO
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![BU of 7lfo by Molmil](/molmil-images/mine/7lfo) | Protein Tyrosine Phosphatase 1B | Descriptor: | MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Sarkar, A, Kim, E.Y, Hongdusit, A, Sankaran, B, Fox, J.M. | Deposit date: | 2021-01-18 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Microbially Guided Discovery and Biosynthesis of Biologically Active Natural Products. Acs Synth Biol, 10, 2021
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7LLH
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![BU of 7llh by Molmil](/molmil-images/mine/7llh) | KPC-2 F72Y mutant with acylated imipenem | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-02-03 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7LJK
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![BU of 7ljk by Molmil](/molmil-images/mine/7ljk) | Crystal structure of the deacylation deficient KPC-2 F72Y mutant | Descriptor: | Beta-lactamase | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-01-29 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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5M6X
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![BU of 5m6x by Molmil](/molmil-images/mine/5m6x) | Crystal Structure of human RhoGAP mutated in its arginine finger (R85A) in complex with RhoA.GDP.MgF3- human | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... | Authors: | Pellegrini, E, Bowler, M.W. | Deposit date: | 2016-10-26 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches. Angew. Chem. Int. Ed. Engl., 56, 2017
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7QFM
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![BU of 7qfm by Molmil](/molmil-images/mine/7qfm) | Pim1 in complex with (E)-4-((2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide | Descriptor: | 4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ... | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | Deposit date: | 2021-12-06 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase. Eur.J.Med.Chem., 245, 2023
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7TNL
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7LNL
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![BU of 7lnl by Molmil](/molmil-images/mine/7lnl) | Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed imipenem | Descriptor: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-02-07 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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3JPP
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![BU of 3jpp by Molmil](/molmil-images/mine/3jpp) | Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-MonoMethyl Methylene triphosphate | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy({(S)-hydroxy[(1R)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]guanosine, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ... | Authors: | Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E. | Deposit date: | 2009-09-04 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues. J.Am.Chem.Soc., 132, 2010
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2YBL
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7TJV
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5MKB
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![BU of 5mkb by Molmil](/molmil-images/mine/5mkb) | Maltodextrin binding protein MalE1 from L. casei BL23 without ligand | Descriptor: | MalE1 | Authors: | Homburg, C, Bommer, M, Wuttge, S, Hobe, C, Beck, S, Dobbek, H, Deutscher, J, Licht, A, Schneider, E. | Deposit date: | 2016-12-03 | Release date: | 2017-07-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr. Mol. Microbiol., 105, 2017
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3K39
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7TJX
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7LHE
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![BU of 7lhe by Molmil](/molmil-images/mine/7lhe) | Structure of full-length IP3R1 channel reconstituted into lipid nanodisc in the apo-state | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, Inositol 1,4,5-trisphosphate receptor type 1, ZINC ION | Authors: | Baker, M.R, Fan, G, Baker, M.L, Serysheva, I.I. | Deposit date: | 2021-01-22 | Release date: | 2021-06-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structure of type 1 IP3R channel in a lipid bilayer Commun Biol, 4, 2021
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3JQ1
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7LPS
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![BU of 7lps by Molmil](/molmil-images/mine/7lps) | Crystal structure of DDB1-CRBN-ALV1 complex bound to Helios (IKZF2 ZF2) | Descriptor: | 3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide, DNA damage-binding protein 1, Protein cereblon, ... | Authors: | Nowak, R.P, Fischer, E.S. | Deposit date: | 2021-02-12 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.78 Å) | Cite: | Acute pharmacological degradation of Helios destabilizes regulatory T cells. Nat.Chem.Biol., 17, 2021
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5M7X
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![BU of 5m7x by Molmil](/molmil-images/mine/5m7x) | Translation initiation factor 4E in complex with (RP)-m2(7,2'O)GppSepG mRNA 5' cap analog (beta-Se-ARCA D1) | Descriptor: | Eukaryotic translation initiation factor 4E, GLYCEROL, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(selanyl)phosphoryl] hydrogen phosphate | Authors: | Warminski, M, Nowak, E, Kowalska, J, Jemielity, J, Nowotny, M. | Deposit date: | 2016-10-28 | Release date: | 2017-11-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Translation initiation factor 4E in complex with (RP)-m2(7,2'O)GppSepG mRNA 5' cap analog (beta-Se-ARCA D1) To Be Published
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2I3Z
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![BU of 2i3z by Molmil](/molmil-images/mine/2i3z) | rat DPP-IV with xanthine mimetic inhibitor #7 | Descriptor: | 2-[(3S)-3-AMINOPIPERIDIN-1-YL]-1-(2-CYANOBENZYL)-5-METHYL-4,6-DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-D]IMIDAZOL-1-IUM, Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV) | Authors: | Kurukulasuriya, R, Rohde, J.J, Szczepankiewicz, B.G, Basha, F, Lai, C, Winn, M, Stewart, K.D, Longenecker, K.L, Lubben, T.W, Ballaron, S.J, Sham, H.L, VonGeldern, T.W. | Deposit date: | 2006-08-21 | Release date: | 2006-12-12 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Xanthine mimetics as potent dipeptidyl peptidase IV inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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2NCI
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7QG9
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![BU of 7qg9 by Molmil](/molmil-images/mine/7qg9) | Tail tip of siphophage T5 : common core proteins | Descriptor: | Distal tail protein, L-shaped tail fiber protein p132, Minor tail protein, ... | Authors: | Linares, R, Arnaud, C.A, Effantin, G, Darnault, C, Epalle, N, Boeri Erba, E, Schoehn, G, Breyton, C. | Deposit date: | 2021-12-07 | Release date: | 2022-12-21 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structural basis of bacteriophage T5 infection trigger and E. coli cell wall perforation. Sci Adv, 9, 2023
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7LHF
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![BU of 7lhf by Molmil](/molmil-images/mine/7lhf) | Structure of full-length IP3R1 channel solubilized in LNMG & lipid in the apo-state | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, Inositol 1,4,5-trisphosphate receptor type 1, ZINC ION | Authors: | Baker, M.R, Fan, G, Baker, M.L, Serysheva, I.I. | Deposit date: | 2021-01-22 | Release date: | 2021-06-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | Cryo-EM structure of type 1 IP3R channel in a lipid bilayer Commun Biol, 4, 2021
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5MMF
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![BU of 5mmf by Molmil](/molmil-images/mine/5mmf) | Crystal Structure of CK2alpha with Compound 7 bound | Descriptor: | (3-chloranyl-4-phenyl-phenyl)methyl-propyl-azanium, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2016-12-09 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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