8GOH
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![BU of 8goh by Molmil](/molmil-images/mine/8goh) | |
6W7T
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![BU of 6w7t by Molmil](/molmil-images/mine/6w7t) | Structure of PaP3 small terminase | Descriptor: | small terminase subunit | Authors: | Cingolani, G, Lokareddy, R. | Deposit date: | 2020-03-19 | Release date: | 2020-11-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Biophysical analysis of Pseudomonas-phage PaP3 small terminase suggests a mechanism for sequence-specific DNA-binding by lateral interdigitation. Nucleic Acids Res., 48, 2020
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8GJ8
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![BU of 8gj8 by Molmil](/molmil-images/mine/8gj8) | RAD51C C-terminal domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAD51C | Authors: | Arvai, A.S, Tainer, J.A, Williams, G. | Deposit date: | 2023-03-15 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles. Nat Commun, 14, 2023
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6VS4
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![BU of 6vs4 by Molmil](/molmil-images/mine/6vs4) | |
7TVD
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![BU of 7tvd by Molmil](/molmil-images/mine/7tvd) | |
6WA3
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![BU of 6wa3 by Molmil](/molmil-images/mine/6wa3) | Solution NMR structure of the myristoylated feline immunodeficiency virus matrix protein | Descriptor: | MYRISTIC ACID, Matrix protein | Authors: | Brown, J.B, Summers, H.R, Brown, L.A, Marchant, J, Canova, P.N, O'Hern, C.T, Abbott, S, Nyaunu, C, Maxwell, S, Johnson, T, Moser, M, Ablan, S.D, Carter, H, Freed, E.O, Summers, M.F. | Deposit date: | 2020-03-24 | Release date: | 2020-07-22 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structural and Mechanistic Studies of the Rare Myristoylation Signal of the Feline Immunodeficiency Virus. J.Mol.Biol., 432, 2020
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8DTO
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![BU of 8dto by Molmil](/molmil-images/mine/8dto) | Vaccine elicited Antibody MU89 bound to CH848.D949.10.17_N133D_N138T.DS.SOSIP.664 HIV-1 Env trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Stalls, V, Acharya, P. | Deposit date: | 2022-07-26 | Release date: | 2023-04-19 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | Mutation-guided vaccine design: A process for developing boosting immunogens for HIV broadly neutralizing antibody induction. Cell Host Microbe, 32, 2024
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8DY6
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![BU of 8dy6 by Molmil](/molmil-images/mine/8dy6) | Vaccine elicited Antibody MU89+S27Y bound to CH848.D949.10.17_N133D_N138T.DS.SOSIP.664 HIV-1 Env trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Stalls, V, Acharya, P. | Deposit date: | 2022-08-03 | Release date: | 2023-04-19 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.32 Å) | Cite: | Mutation-guided vaccine design: A process for developing boosting immunogens for HIV broadly neutralizing antibody induction. Cell Host Microbe, 32, 2024
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8GTG
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![BU of 8gtg by Molmil](/molmil-images/mine/8gtg) | Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-I-152 by XFEL | Descriptor: | 8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N},~{N}-bis(2-methoxyethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine, Endolysin, Isoform CRF-R2 of Corticotropin-releasing factor receptor 1 | Authors: | Cho, H.S, Kim, H. | Deposit date: | 2022-09-08 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser. Exp.Mol.Med., 55, 2023
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6W7S
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![BU of 6w7s by Molmil](/molmil-images/mine/6w7s) | Ketoreductase from module 1 of the 6-deoxyerythronolide B synthase (KR1) in complex with antibody fragment (Fab) 2G10 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2G10 (Fab heavy chain), 2G10 (Fab light chain), ... | Authors: | Cogan, D.P, Mathews, I.I, Khosla, C. | Deposit date: | 2020-03-19 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Antibody Probes of Module 1 of the 6-Deoxyerythronolide B Synthase Reveal an Extended Conformation During Ketoreduction. J.Am.Chem.Soc., 142, 2020
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8GTI
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![BU of 8gti by Molmil](/molmil-images/mine/8gti) | Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-C205 by XFEL | Descriptor: | 8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N}-butyl-~{N}-(cyclopropylmethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine, Endolysin, Isoform CRF-R2 of Corticotropin-releasing factor receptor 1, ... | Authors: | Cho, H.S, Kim, H. | Deposit date: | 2022-09-08 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser. Exp.Mol.Med., 55, 2023
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8DY2
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![BU of 8dy2 by Molmil](/molmil-images/mine/8dy2) | Crystal Structure of spFv GLK1 | Descriptor: | SULFATE ION, spFv GLK1 LH | Authors: | Luo, J, Boucher, L.E. | Deposit date: | 2022-08-03 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | "Stapling" scFv for multispecific biotherapeutics of superior properties. Mabs, 15, 2023
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8GSM
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![BU of 8gsm by Molmil](/molmil-images/mine/8gsm) | Crystal Structure of VibMO1 | Descriptor: | 4-hydroxybenzoate decarboxylase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Ying, Z, Feng, K.N. | Deposit date: | 2022-09-06 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Crystal Structure of VibMO1 To Be Published
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8DY4
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![BU of 8dy4 by Molmil](/molmil-images/mine/8dy4) | Crystal Structure of spFv CAT2200 HL | Descriptor: | spFv CAT2200 HL | Authors: | Luo, J, Boucher, L.E. | Deposit date: | 2022-08-03 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | "Stapling" scFv for multispecific biotherapeutics of superior properties. Mabs, 15, 2023
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6W9A
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![BU of 6w9a by Molmil](/molmil-images/mine/6w9a) | RNF12 RING domain in complex with Ube2e2 | Descriptor: | E3 ubiquitin-protein ligase RLIM, GLYCEROL, Ubiquitin-conjugating enzyme E2 E2, ... | Authors: | Middleton, A.J, Day, C.L. | Deposit date: | 2020-03-22 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The RING Domain of RING Finger 12 Efficiently Builds Degradative Ubiquitin Chains. J.Mol.Biol., 432, 2020
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8GTM
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![BU of 8gtm by Molmil](/molmil-images/mine/8gtm) | Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-C203 by XFEL | Descriptor: | 7-(4-bromanyl-2,6-dimethoxy-phenyl)-4,8-dimethyl-~{N},~{N}-bis[4,4,4-tris(fluoranyl)butyl]-1$l^{4},3,5,9-tetrazabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-2-amine, Endolysin, Isoform CRF-R2 of Corticotropin-releasing factor receptor 1 | Authors: | Cho, H.S, Kim, H. | Deposit date: | 2022-09-08 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser. Exp.Mol.Med., 55, 2023
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8DY3
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![BU of 8dy3 by Molmil](/molmil-images/mine/8dy3) | Crystal Structure of spFv GLK2 HL | Descriptor: | SULFATE ION, spFv GLK2 HL | Authors: | Luo, J, Boucher, L.E. | Deposit date: | 2022-08-03 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.509 Å) | Cite: | "Stapling" scFv for multispecific biotherapeutics of superior properties. Mabs, 15, 2023
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7U6Z
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![BU of 7u6z by Molmil](/molmil-images/mine/7u6z) | Pertussis toxin E129D NAD | Descriptor: | IODIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pertussis toxin subunit 1 | Authors: | Littler, D.R, Beddoe, T, Pulliainen, A, Rossjohn, J. | Deposit date: | 2022-03-06 | Release date: | 2022-04-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.30002 Å) | Cite: | Crystal structures of pertussis toxin with NAD + and analogs provide structural insights into the mechanism of its cytosolic ADP-ribosylation activity. J.Biol.Chem., 298, 2022
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6W0N
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![BU of 6w0n by Molmil](/molmil-images/mine/6w0n) | Structure of KHK in complex with compound 2 | Descriptor: | 6-[(3~{S},4~{R})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{S})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ... | Authors: | Jasti, J. | Deposit date: | 2020-03-02 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose. J.Med.Chem., 63, 2020
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8G6U
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![BU of 8g6u by Molmil](/molmil-images/mine/8g6u) | Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations in complex with 8ANC195 and 10-1074 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CRF-1_AE T/F100 HIV-1 gp41, ... | Authors: | Chen, Y, Zhou, F, Huang, R, Tolbert, W, Pazgier, M. | Deposit date: | 2023-02-16 | Release date: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir. Nat Commun, 14, 2023
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6W3K
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![BU of 6w3k by Molmil](/molmil-images/mine/6w3k) | Structure of unphosphorylated human IRE1 bound to G-9807 | Descriptor: | 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Lammens, A, Wang, W, Ferri, E, Rudolph, J. | Deposit date: | 2020-03-09 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nat Commun, 11, 2020
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6W70
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![BU of 6w70 by Molmil](/molmil-images/mine/6w70) | Crystal Structure of apixaban-bound ABLE | Descriptor: | 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE, ACETATE ION, De novo designed ABLE, ... | Authors: | Polizzi, N.F. | Deposit date: | 2020-03-18 | Release date: | 2020-08-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.296 Å) | Cite: | A defined structural unit enables de novo design of small-molecule-binding proteins. Science, 369, 2020
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8GJ5
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![BU of 8gj5 by Molmil](/molmil-images/mine/8gj5) | fungal pcna and peptidomimetic | Descriptor: | Proliferating cell nuclear antigen, THR-ASP-ILE-ARG-ASN-PHE-PHE-HIS-SER | Authors: | Vandborg, B, Bruning, J.B. | Deposit date: | 2023-03-14 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Towards a High-Affinity Peptidomimetic Targeting Proliferating Cell Nuclear Antigen from Aspergillus fumigatus. J Fungi, 9, 2023
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8GJF
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![BU of 8gjf by Molmil](/molmil-images/mine/8gjf) | afupcna bound with peptide mimetic | Descriptor: | LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-PHE-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen | Authors: | Vandborg, B, Bruning, J.B. | Deposit date: | 2023-03-15 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Towards a High-Affinity Peptidomimetic Targeting Proliferating Cell Nuclear Antigen from Aspergillus fumigatus. J Fungi, 9, 2023
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8ROM
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![BU of 8rom by Molmil](/molmil-images/mine/8rom) | |