6KJQ
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![BU of 6kjq by Molmil](/molmil-images/mine/6kjq) | Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors | Descriptor: | (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one, Putative beta-lactamase | Authors: | Xiao, F, Dong, S, Feng, Y, Li, W. | Deposit date: | 2019-07-23 | Release date: | 2020-07-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase. J.Am.Chem.Soc., 142, 2020
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7ROY
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![BU of 7roy by Molmil](/molmil-images/mine/7roy) | The structure of the Fem1B:FNIP1 complex | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Folliculin-interacting protein 1, Protein fem-1 homolog B, ... | Authors: | Gee, C.L, Mena, E.L, Manford, A.G, Rape, M. | Deposit date: | 2021-08-02 | Release date: | 2021-10-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis and regulation of the reductive stress response. Cell, 184, 2021
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6OUI
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6KDJ
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![BU of 6kdj by Molmil](/molmil-images/mine/6kdj) | HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:lamivudine 5'-triphosphate ternary complex | Descriptor: | DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ... | Authors: | Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K. | Deposit date: | 2019-07-02 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine. Sci Rep, 10, 2020
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7JXV
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![BU of 7jxv by Molmil](/molmil-images/mine/7jxv) | ANTH domain of CALM (clathrin-assembly lymphoid myeloid leukemia protein) bound to ubiquitin | Descriptor: | Phosphatidylinositol-binding clathrin assembly protein, Ubiquitin | Authors: | Pashkova, N, Gakhar, L, Schnicker, N.J, Piper, R.C. | Deposit date: | 2020-08-28 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | ANTH domains within CALM, HIP1R, and Sla2 recognize ubiquitin internalization signals. Elife, 10, 2021
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8BJ9
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![BU of 8bj9 by Molmil](/molmil-images/mine/8bj9) | X-ray structure of the CeuE Homologue from Parageobacillus thermoglucosidasius - 5LICAM complex. | Descriptor: | ABC transporter, FE (III) ION, N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide), ... | Authors: | Blagova, E.V, Bennett, M, Booth, R, Dodson, E.J, Duhme-KLair, A.-K, Wilson, K.S. | Deposit date: | 2022-11-03 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.069 Å) | Cite: | Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius. Acta Crystallogr D Struct Biol, 79, 2023
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7JLJ
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6ZHS
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![BU of 6zhs by Molmil](/molmil-images/mine/6zhs) | Uba1 bound to two E2 (Ubc13) molecules | Descriptor: | GLYCEROL, SULFATE ION, Ubiquitin-activating enzyme E1 1, ... | Authors: | Misra, M, Schindelin, H. | Deposit date: | 2020-06-23 | Release date: | 2022-01-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | ATP induced conformational changes facilitate E1-E2 disulfide bridging in the ubiquitin system. To Be Published
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8BNW
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![BU of 8bnw by Molmil](/molmil-images/mine/8bnw) | X-ray structure of the CeuE Homologue from Parageobacillus thermoglucosidasius - apo form | Descriptor: | ABC transporter, NICKEL (II) ION, SULFATE ION | Authors: | Blagova, E.V, Bennett, M, Booth, R, Dodson, E.J, Duhme-KLair, A.-K, Wilson, K.S. | Deposit date: | 2022-11-14 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.133 Å) | Cite: | Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius. Acta Crystallogr D Struct Biol, 79, 2023
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5GGF
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6KEM
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![BU of 6kem by Molmil](/molmil-images/mine/6kem) | Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in apo-form 2 | Descriptor: | Glutathione S-transferase E14 | Authors: | Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Niwa, R, Senda, T. | Deposit date: | 2019-07-04 | Release date: | 2019-10-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo. J.Biol.Chem., 295, 2020
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6GUV
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![BU of 6guv by Molmil](/molmil-images/mine/6guv) | BTB domain of mouse PATZ1 | Descriptor: | POZ (BTB) and AT hook-containing zinc finger 1 | Authors: | Alt, A, Piepoli, S, Erman, B, Mancini, E.J. | Deposit date: | 2018-06-19 | Release date: | 2019-10-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural analysis of the PATZ1 BTB domain homodimer Acta Crystallogr.,Sect.D, 2020
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6ZHT
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![BU of 6zht by Molmil](/molmil-images/mine/6zht) | Uba1-Ubc13 disulfide mediated complex | Descriptor: | CHLORIDE ION, GLYCEROL, Ubiquitin-activating enzyme E1 1, ... | Authors: | Schaefer, A, Misra, M, Schindelin, H. | Deposit date: | 2020-06-23 | Release date: | 2022-01-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | ATP induced conformational changes facilitate E1-E2 disulfide bridging in the ubiquitin system. To Be Published
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5TBD
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![BU of 5tbd by Molmil](/molmil-images/mine/5tbd) | Crystal Structure of anti-MSP2 Fv fragment (mAb4D11) in complex with 3D7-MSP2 215-222 | Descriptor: | Fv fragment (mAb4D1) heavy chain, Merozoite surface protein 2 | Authors: | Seow, J, Morales, R.A.V, MacRaild, C.A, Bankala, K, Drinkwater, N, Dingjan, T, Jaipuria, G, Wilde, K, Anders, R.F, Atreya, H.S, Christ, D, McGowan, S, Norton, R.S. | Deposit date: | 2016-09-12 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Characterisation of a Key Epitope in the Conserved C-Terminal Domain of the Malaria Vaccine Candidate MSP2. J. Mol. Biol., 429, 2017
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8BAQ
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![BU of 8baq by Molmil](/molmil-images/mine/8baq) | E. coli C7 DarT1 in complex with NAD+ | Descriptor: | 1,2-ETHANEDIOL, DarT ssDNA thymidine ADP-ribosyltransferase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Schuller, M, Ariza, A. | Deposit date: | 2022-10-11 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular basis for the reversible ADP-ribosylation of guanosine bases. Mol.Cell, 83, 2023
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6ZIF
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6BQE
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8BAU
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![BU of 8bau by Molmil](/molmil-images/mine/8bau) | Phytophthora nicotianae var. parasitica NADAR in complex with ADP-ribose | Descriptor: | 1,2-ETHANEDIOL, NADAR domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Schuller, M, Ariza, A. | Deposit date: | 2022-10-11 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular basis for the reversible ADP-ribosylation of guanosine bases. Mol.Cell, 83, 2023
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6ZHU
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![BU of 6zhu by Molmil](/molmil-images/mine/6zhu) | Yeast Uba1 in complex with Ubc3 and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ubiquitin-activating enzyme E1 1, ... | Authors: | Misra, M, Schindelin, H. | Deposit date: | 2020-06-23 | Release date: | 2022-01-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | ATP induced conformational changes facilitate E1-E2 disulfide bridging in the ubiquitin system To Be Published
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5TBP
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![BU of 5tbp by Molmil](/molmil-images/mine/5tbp) | Crystal Structure of RXR-alpha ligand binding domain complexed with synthetic modulator K8003 | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Aleshin, A.E, Liddington, R.C, Su, Y, Zhang, X. | Deposit date: | 2016-09-12 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Modulation of nongenomic activation of PI3K signalling by tetramerization of N-terminally-cleaved RXR alpha. Nat Commun, 8, 2017
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7JUL
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![BU of 7jul by Molmil](/molmil-images/mine/7jul) | Crystal structure of non phosphorylated PTEN (n-crPTEN-13sp-T1, SDTTDSDPENEG) | Descriptor: | Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN | Authors: | Dempsey, D, Phan, K, Cole, P, Gabelli, S.B. | Deposit date: | 2020-08-20 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | The structural basis of PTEN regulation by multi-site phosphorylation. Nat.Struct.Mol.Biol., 28, 2021
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8QFZ
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![BU of 8qfz by Molmil](/molmil-images/mine/8qfz) | TSLP-Bicycle complex | Descriptor: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, CYS-HIS-TRP-LEU-GLU-ASN-CYS-TRP-ARG-GLY-PHE-CYS, Thymic stromal lymphopoietin | Authors: | Petersen, J. | Deposit date: | 2023-09-05 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery and Characterization of a Bicyclic Peptide (Bicycle) Binder to Thymic Stromal Lymphopoietin. J.Med.Chem., 67, 2024
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7R75
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![BU of 7r75 by Molmil](/molmil-images/mine/7r75) | Structure of human SHP2 in complex with compound 16 | Descriptor: | 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Leonard, P.G, Cross, J. | Deposit date: | 2021-06-24 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
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7KBA
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6KGU
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![BU of 6kgu by Molmil](/molmil-images/mine/6kgu) | Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with aztreonam | Descriptor: | 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, COBALT (II) ION, Penicillin-binding protein PbpB | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | Deposit date: | 2019-07-12 | Release date: | 2020-03-11 | Method: | X-RAY DIFFRACTION (2.106 Å) | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation. Mol.Pharmacol., 97, 2020
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