8TPV
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8UMW
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![BU of 8umw by Molmil](/molmil-images/mine/8umw) | Atomic model of the human CTF18-RFC-PCNA-DNA ternary complex in the five-subunit binding state (state 4) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18 homolog, DNA (20-MER), ... | Authors: | Wang, F, He, Q, Li, H. | Deposit date: | 2023-10-18 | Release date: | 2024-05-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Cryo-EM reveals a nearly complete PCNA loading process and unique features of the human alternative clamp loader CTF18-RFC. Proc.Natl.Acad.Sci.USA, 121, 2024
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8UMV
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![BU of 8umv by Molmil](/molmil-images/mine/8umv) | Atomic model of the human CTF18-RFC-PCNA-DNA ternary complex with narrow PCNA opening state I (state 5) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18 homolog, DNA (20-MER), ... | Authors: | Wang, F, He, Q, Li, H. | Deposit date: | 2023-10-18 | Release date: | 2024-05-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Cryo-EM reveals a nearly complete PCNA loading process and unique features of the human alternative clamp loader CTF18-RFC. Proc.Natl.Acad.Sci.USA, 121, 2024
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8UI9
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8UI7
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8UII
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8XAM
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![BU of 8xam by Molmil](/molmil-images/mine/8xam) | Co-crystal structure of compound 7 in complex with MAT2A | Descriptor: | 2-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenoxy]-~{N}-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenyl]ethanamide, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Gao, F, Ding, X. | Deposit date: | 2023-12-04 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of novel MAT2A inhibitors by an allosteric site-compatible fragment growing approach. Bioorg.Med.Chem., 100, 2024
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9AX6
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![BU of 9ax6 by Molmil](/molmil-images/mine/9ax6) | Tricomplex of RMC-6236, KRAS G12D, and CypA | Descriptor: | (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide, GTPase KRas, MAGNESIUM ION, ... | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | Deposit date: | 2024-03-05 | Release date: | 2024-04-17 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers. Cancer Discov, 14, 2024
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8YM7
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![BU of 8ym7 by Molmil](/molmil-images/mine/8ym7) | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with JH-45 | Descriptor: | 4-[5-(4-azanylpiperidin-1-yl)-8-(4-methylphenyl)pyrido[3,4-b]pyrazin-7-yl]-2-fluoranyl-benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | Authors: | Zhiyan, D, Danyan, C, Hong, J, Tongchao, L, Bing, X. | Deposit date: | 2024-03-08 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery of Novel LSD1 Inhibitors for the Treatment of Autosomal Dominant Polycystic Kidney Disease To Be Published
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6TPZ
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![BU of 6tpz by Molmil](/molmil-images/mine/6tpz) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one | Descriptor: | 1,2-ETHANEDIOL, 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 4 | Authors: | Chung, C. | Deposit date: | 2019-12-15 | Release date: | 2020-01-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.299 Å) | Cite: | Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening. J.Med.Chem., 63, 2020
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6U17
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![BU of 6u17 by Molmil](/molmil-images/mine/6u17) | Human thymine DNA glycosylase bound to DNA with 2'-F-5-carboxyl-dC substrate analog | Descriptor: | ACETATE ION, DNA (28-MER), DNA (30-MER), ... | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | Deposit date: | 2019-08-15 | Release date: | 2019-11-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Excision of 5-Carboxylcytosine by Thymine DNA Glycosylase. J.Am.Chem.Soc., 141, 2019
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6TVO
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![BU of 6tvo by Molmil](/molmil-images/mine/6tvo) | Human CRM1-RanGTP in complex with Leptomycin B | Descriptor: | Exportin-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Shaikhqasem, A, Ficner, R. | Deposit date: | 2020-01-10 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.201 Å) | Cite: | Characterization of Inhibition Reveals Distinctive Properties for Human andSaccharomyces cerevisiaeCRM1. J.Med.Chem., 63, 2020
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6U80
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6U5C
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![BU of 6u5c by Molmil](/molmil-images/mine/6u5c) | RT XFEL structure of CypA solved using MESH injection system | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Wolff, A.M, Thompson, M.C. | Deposit date: | 2019-08-27 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals Iucrj, 7, 2020
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6U6K
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![BU of 6u6k by Molmil](/molmil-images/mine/6u6k) | BRD4-BD1 in complex with the cyclic peptide 3.1_3 | Descriptor: | Bromodomain-containing protein 4, cyclic peptide 3.1_3 | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | Deposit date: | 2019-08-30 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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6UC4
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![BU of 6uc4 by Molmil](/molmil-images/mine/6uc4) | Barbed end side of a cofilactin cluster | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V. | Deposit date: | 2019-09-13 | Release date: | 2020-01-01 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (9.2 Å) | Cite: | Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments. Proc.Natl.Acad.Sci.USA, 117, 2020
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6U8G
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![BU of 6u8g by Molmil](/molmil-images/mine/6u8g) | BRD4-BD2 in complex with the cyclic peptide 3.1_2_AcK7toA | Descriptor: | Bromodomain-containing protein 4, cyclic peptide 3.1_2_AcK7toA | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S. | Deposit date: | 2019-09-05 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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6U8N
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![BU of 6u8n by Molmil](/molmil-images/mine/6u8n) | Human IMPDH2 treated with ATP, IMP, and NAD+. Fully extended filament segment reconstruction. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ... | Authors: | Johnson, M.C, Kollman, J.M. | Deposit date: | 2019-09-05 | Release date: | 2020-03-25 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation. Elife, 9, 2020
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6TWY
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![BU of 6twy by Molmil](/molmil-images/mine/6twy) | MAGI1_2 complexed with a phosphomimetic RSK1 peptide | Descriptor: | CALCIUM ION, CITRIC ACID, GLYCEROL, ... | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | Deposit date: | 2020-01-13 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study. Structure, 28, 2020
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6U72
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![BU of 6u72 by Molmil](/molmil-images/mine/6u72) | BRD4-BD1 in complex with the cyclic peptide 3.1_2_AcK5toA | Descriptor: | 3.1_2_AcK5toA, AMINO GROUP, Bromodomain-containing protein 4 | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S. | Deposit date: | 2019-08-31 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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6U9Q
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6U15
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6U6Z
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![BU of 6u6z by Molmil](/molmil-images/mine/6u6z) | Human SAMHD1 bound to deoxyribo(TG*TTCA)-oligonucleotide | Descriptor: | DNA polymer TG(PST)TCA, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ZINC ION | Authors: | Taylor, A.B, Yu, C.H, Ivanov, D.N. | Deposit date: | 2019-08-30 | Release date: | 2020-09-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification. Nat Commun, 12, 2021
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6U16
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![BU of 6u16 by Molmil](/molmil-images/mine/6u16) | Human thymine DNA glycosylase N140A mutant bound to DNA with 5-carboxyl-dC substrate | Descriptor: | 1,2-ETHANEDIOL, DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | Deposit date: | 2019-08-15 | Release date: | 2019-11-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Excision of 5-Carboxylcytosine by Thymine DNA Glycosylase. J.Am.Chem.Soc., 141, 2019
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6U8X
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![BU of 6u8x by Molmil](/molmil-images/mine/6u8x) | Crystal structure of DNMT3B-DNMT3L in complex with CpApG DNA | Descriptor: | CpApG DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... | Authors: | Gao, L, Song, J. | Deposit date: | 2019-09-06 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.95063877 Å) | Cite: | Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms. Nat Commun, 11, 2020
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