8BRQ
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![BU of 8brq by Molmil](/molmil-images/mine/8brq) | Crystal structure of a surface entropy reduction variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R. | Deposit date: | 2022-11-23 | Release date: | 2023-05-03 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency Cryst.Growth Des., 2023
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8B3P
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8BR2
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![BU of 8br2 by Molmil](/molmil-images/mine/8br2) | CryoEM structure of the post-synaptic RAD51 nucleoprotein filament in the presence of ATP and Ca2+ | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*GP*CP*GP*AP*GP*CP*TP*CP*GP*AP*TP*GP*CP*AP*CP*CP*TP*CP*CP*A)-3'), ... | Authors: | Appleby, R, Bollschweiler, D, Pellegrini, L. | Deposit date: | 2022-11-22 | Release date: | 2023-05-03 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | A metal ion-dependent mechanism of RAD51 nucleoprotein filament disassembly. Iscience, 26, 2023
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8BRR
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![BU of 8brr by Molmil](/molmil-images/mine/8brr) | Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact | Descriptor: | (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R. | Deposit date: | 2022-11-23 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency Cryst.Growth Des., 2023
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7LAS
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![BU of 7las by Molmil](/molmil-images/mine/7las) | Cryo-EM structure of PCV2 Replicase bound to ssDNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent helicase Rep, DNA (5'-D(P*GP*AP*TP*CP*GP*AP*TP*CP*GP*A)-3'), ... | Authors: | Khayat, R. | Deposit date: | 2021-01-06 | Release date: | 2021-08-25 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Mechanism of DNA Interaction and Translocation by the Replicase of a Circular Rep-Encoding Single-Stranded DNA Virus. Mbio, 12, 2021
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8B3O
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8BPA
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![BU of 8bpa by Molmil](/molmil-images/mine/8bpa) | Cryo-EM structure of the human SIN3B histone deacetylase complex at 3.7 Angstrom | Descriptor: | CALCIUM ION, Histone deacetylase 2, Isoform 2 of Paired amphipathic helix protein Sin3b, ... | Authors: | Wan, M.S.M, Muhammad, R, Koliopolous, M.G, Alfieri, C. | Deposit date: | 2022-11-16 | Release date: | 2023-05-10 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex. Nat Commun, 14, 2023
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7UDU
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![BU of 7udu by Molmil](/molmil-images/mine/7udu) | cryo-EM structure of the ADP state wild type myosin-15-F-actin complex (symmetry expansion and re-centering) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Gong, R, Reynolds, M.J, Alushin, G.M. | Deposit date: | 2022-03-20 | Release date: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (4.15 Å) | Cite: | Structural basis for tunable control of actin dynamics by myosin-15 in mechanosensory stereocilia. Sci Adv, 8, 2022
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7LAR
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![BU of 7lar by Molmil](/molmil-images/mine/7lar) | Cryo-EM structure of PCV2 Replicase bound to ssDNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent helicase Rep, DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'), ... | Authors: | Khayat, R. | Deposit date: | 2021-01-06 | Release date: | 2021-08-25 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Mechanism of DNA Interaction and Translocation by the Replicase of a Circular Rep-Encoding Single-Stranded DNA Virus. Mbio, 12, 2021
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7UDT
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![BU of 7udt by Molmil](/molmil-images/mine/7udt) | cryo-EM structure of the rigor state wild type myosin-15-F-actin complex (symmetry expansion and re-centering) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Gong, R, Reynolds, M.J, Alushin, G.M. | Deposit date: | 2022-03-20 | Release date: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Structural basis for tunable control of actin dynamics by myosin-15 in mechanosensory stereocilia. Sci Adv, 8, 2022
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8BCY
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![BU of 8bcy by Molmil](/molmil-images/mine/8bcy) | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 13 | Descriptor: | 9-[2-(3,4-dichlorophenyl)ethyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7~{H}-purine-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Pala, D, Mazzucato, R, Capelli, A.M, Rancati, F, Biagetti, M. | Deposit date: | 2022-10-17 | Release date: | 2023-05-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Application of an "inhalation by design" approach to the identification and in-vitro evaluation of novel purine based PI3K delta inhibitors. Eur.J.Med.Chem., 254, 2023
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8BV2
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8BPB
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![BU of 8bpb by Molmil](/molmil-images/mine/8bpb) | Cryo-EM structure of the human SIN3B histone deacetylase core complex at 2.8 Angstrom | Descriptor: | ACETATE ION, CALCIUM ION, Histone deacetylase 2, ... | Authors: | Wan, M.S.M, Muhammad, R, Koliopolous, M.G, Alfieri, C. | Deposit date: | 2022-11-16 | Release date: | 2023-05-10 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex. Nat Commun, 14, 2023
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8BPC
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![BU of 8bpc by Molmil](/molmil-images/mine/8bpc) | Cryo-EM structure of the human SIN3B histone deacetylase core complex with SAHA at 2.8 Angstrom | Descriptor: | CALCIUM ION, Histone deacetylase 2, Isoform 2 of Paired amphipathic helix protein Sin3b, ... | Authors: | Wan, M.S.M, Muhammad, R, Koliopolous, M.G, Alfieri, C. | Deposit date: | 2022-11-16 | Release date: | 2023-05-10 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex. Nat Commun, 14, 2023
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8BS9
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![BU of 8bs9 by Molmil](/molmil-images/mine/8bs9) | Structure of USP36 in complex with Ubiquitin-PA | Descriptor: | Polyubiquitin-B, SODIUM ION, Ubiquitin carboxyl-terminal hydrolase 36, ... | Authors: | O'Dea, R, Gersch, M. | Deposit date: | 2022-11-24 | Release date: | 2023-07-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis for ubiquitin/Fubi cross-reactivity in USP16 and USP36. Nat.Chem.Biol., 19, 2023
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8BS3
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![BU of 8bs3 by Molmil](/molmil-images/mine/8bs3) | Structure of USP36 in complex with Fubi-PA | Descriptor: | 40S ribosomal protein S30, Ubiquitin carboxyl-terminal hydrolase 36, ZINC ION, ... | Authors: | O'Dea, R, Gersch, M. | Deposit date: | 2022-11-24 | Release date: | 2023-07-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular basis for ubiquitin/Fubi cross-reactivity in USP16 and USP36. Nat.Chem.Biol., 19, 2023
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5ENB
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![BU of 5enb by Molmil](/molmil-images/mine/5enb) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with o-Tolylthiourea (SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, 1-(2-methylphenyl)thiourea, PH-interacting protein | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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5ENI
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![BU of 5eni by Molmil](/molmil-images/mine/5eni) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-13 N11537 (SGC - Diamond I04-1 fragment screening) | Descriptor: | PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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8BNR
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![BU of 8bnr by Molmil](/molmil-images/mine/8bnr) | Escherichia coli anaerobic fatty acid beta oxidation trifunctional enzyme (anEcTFE) octameric complex | Descriptor: | 3-ketoacyl-CoA thiolase FadI, Fatty acid oxidation complex subunit alpha | Authors: | Sah-Teli, S.K, Pinkas, M, Novacek, J, Venkatesan, R. | Deposit date: | 2022-11-14 | Release date: | 2023-05-17 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (10.3 Å) | Cite: | Structural basis for different membrane-binding properties of E. coli anaerobic and human mitochondrial beta-oxidation trifunctional enzymes. Structure, 31, 2023
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3DWY
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![BU of 3dwy by Molmil](/molmil-images/mine/3dwy) | Crystal Structure of the Bromodomain of Human CREBBP | Descriptor: | 1,2-ETHANEDIOL, CREB-binding protein | Authors: | Filippakopoulos, P, Picaud, S, Fedorov, O, Karim, R, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wickstroem, M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-07-23 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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8BW5
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![BU of 8bw5 by Molmil](/molmil-images/mine/8bw5) | X-ray structure of the complex between human alpha thrombin and the duplex/quadruplex aptamer M08s-1_41mer | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, M08s-1_41mer, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Troisi, R, Napolitano, V, Sica, F. | Deposit date: | 2022-12-06 | Release date: | 2023-07-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Steric hindrance and structural flexibility shape the functional properties of a guanine-rich oligonucleotide. Nucleic Acids Res., 51, 2023
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8B42
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8B4C
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![BU of 8b4c by Molmil](/molmil-images/mine/8b4c) | ToxR bacterial transcriptional regulator bound to 20 bp toxT promoter DNA | Descriptor: | Cholera toxin transcriptional activator, DNA (20-MER) | Authors: | Canals, A, Pieretti, S, Muriel, M, El Yaman, N, Fabrega-Ferrer, M, Perez-Luque, R, Krukonis, E.S, Coll, M. | Deposit date: | 2022-09-20 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | ToxR activates the Vibrio cholerae virulence genes by tethering DNA to the membrane through versatile binding to multiple sites. Proc.Natl.Acad.Sci.USA, 120, 2023
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8B4E
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![BU of 8b4e by Molmil](/molmil-images/mine/8b4e) | ToxR bacterial transcriptional regulator bound to 25 bp toxT promoter DNA | Descriptor: | Cholera toxin transcriptional activator, DNA (25-MER) | Authors: | Canals, A, Pieretti, S, Muriel, M, El Yaman, N, Fabrega-Ferrer, M, Perez-Luque, R, Krukonis, E.S, Coll, M. | Deposit date: | 2022-09-20 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | ToxR activates the Vibrio cholerae virulence genes by tethering DNA to the membrane through versatile binding to multiple sites. Proc.Natl.Acad.Sci.USA, 120, 2023
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8B4B
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![BU of 8b4b by Molmil](/molmil-images/mine/8b4b) | ToxR bacterial transcriptional regulator bound to 19 bp ompU promoter DNA | Descriptor: | AMMONIUM ION, CADMIUM ION, Cholera toxin transcriptional activator, ... | Authors: | Canals, A, Pieretti, S, Muriel, M, El Yaman, N, Fabrega-Ferrer, M, Perez-Luque, R, Krukonis, E.S, Coll, M. | Deposit date: | 2022-09-20 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | ToxR activates the Vibrio cholerae virulence genes by tethering DNA to the membrane through versatile binding to multiple sites. Proc.Natl.Acad.Sci.USA, 120, 2023
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