9LDT
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![BU of 9ldt by Molmil](/molmil-images/mine/9ldt) | DESIGN AND SYNTHESIS OF NEW ENZYMES BASED ON THE LACTATE DEHYDROGENASE FRAMEWORK | Descriptor: | LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID, ... | Authors: | Dunn, C.R, Holbrook, J.J, Muirhead, H. | Deposit date: | 1991-11-26 | Release date: | 1993-10-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and synthesis of new enzymes based on the lactate dehydrogenase framework. Philos.Trans.R.Soc.London,Ser.B, 332, 1991
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8V7L
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![BU of 8v7l by Molmil](/molmil-images/mine/8v7l) | Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h at inactive SHL2 (conformation 2) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Histone H2A type 1, Histone H2B, ... | Authors: | Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y. | Deposit date: | 2023-12-04 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking. Nat Commun, 15, 2024
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8WXQ
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![BU of 8wxq by Molmil](/molmil-images/mine/8wxq) | Structure of WDR5 in complex with WIN motif containing MBD3C | Descriptor: | GLY-ALA-ALA-ARG-CYS-ARG-VAL-PHE-SER-PRO, WD repeat-containing protein 5 | Authors: | Xu, L, Yang, Y. | Deposit date: | 2023-10-30 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode. J.Biol.Chem., 300, 2024
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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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8X3S
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![BU of 8x3s by Molmil](/molmil-images/mine/8x3s) | Crystal structure of human WDR5 in complex with PTEN | Descriptor: | Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, WD repeat-containing protein 5 | Authors: | Liu, Y, Huang, X, Shang, X. | Deposit date: | 2023-11-14 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | The NTE domain of PTEN alpha / beta promotes cancer progression by interacting with WDR5 via its SSSRRSS motif. Cell Death Dis, 15, 2024
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8XAR
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![BU of 8xar by Molmil](/molmil-images/mine/8xar) | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 54 | Descriptor: | 1,2-ETHANEDIOL, 7-chloranyl-2-ethyl-5-pyridin-3-yl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ... | Authors: | Zheng, J.Y, Zhang, G.P, Li, J.J, Tong, S.L. | Deposit date: | 2023-12-05 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy. J.Med.Chem., 67, 2024
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8TNP
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![BU of 8tnp by Molmil](/molmil-images/mine/8tnp) | Cryo-EM structure of DDB1dB:CRBN:Pomalidomide:SD40 | Descriptor: | DNA damage-binding protein 1, Maltose/maltodextrin-binding periplasmic protein,SD40, Protein cereblon, ... | Authors: | Roy Burman, S.S, Hunkeler, M, Fischer, E.S. | Deposit date: | 2023-08-02 | Release date: | 2024-03-13 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Continuous evolution of compact protein degradation tags regulated by selective molecular glues. Science, 383, 2024
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6RIH
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![BU of 6rih by Molmil](/molmil-images/mine/6rih) | Crystal structure of PHGDH in complex with compound 9 | Descriptor: | D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | Deposit date: | 2019-04-24 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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9FWG
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![BU of 9fwg by Molmil](/molmil-images/mine/9fwg) | LSD1/CoREST bound to bomedemstat | Descriptor: | Bomedemstat FAD adduct, Lysine-specific histone demethylase 1A, REST corepressor 1 | Authors: | Speranzini, V, Mattevi, A. | Deposit date: | 2024-06-30 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Characterization of structural, biochemical, pharmacokinetic, and pharmacodynamic properties of the LSD1 inhibitor bomedemstat in preclinical models. Prostate, 84, 2024
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8TNQ
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![BU of 8tnq by Molmil](/molmil-images/mine/8tnq) | Cryo-EM structure of DDB1dB:CRBN:PT-179:SD40, conformation 1 | Descriptor: | 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione, DNA damage-binding protein 1, Maltose/maltodextrin-binding periplasmic protein,SD40, ... | Authors: | Roy Burman, S.S, Hunkeler, M, Fischer, E.S. | Deposit date: | 2023-08-02 | Release date: | 2024-03-13 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.41 Å) | Cite: | Continuous evolution of compact protein degradation tags regulated by selective molecular glues. Science, 383, 2024
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8WY7
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![BU of 8wy7 by Molmil](/molmil-images/mine/8wy7) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 22 | Descriptor: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 4 | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | Deposit date: | 2023-10-30 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia. J.Med.Chem., 67, 2024
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8WXT
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![BU of 8wxt by Molmil](/molmil-images/mine/8wxt) | |
8WNY
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![BU of 8wny by Molmil](/molmil-images/mine/8wny) | Cryo EM map of SLC7A10-SLC3A2 complex in the D-serine bound state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Amino acid transporter heavy chain SLC3A2, Asc-type amino acid transporter 1, ... | Authors: | Li, Y.N, Guo, Y.Y, Dai, L, Yan, R.H. | Deposit date: | 2023-10-06 | Release date: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structure of the human Asc-1 transporter complex. Nat Commun, 15, 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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8V4Y
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![BU of 8v4y by Molmil](/molmil-images/mine/8v4y) | Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h at inactive SHL2 (conformation 1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Histone H2A type 1, ... | Authors: | Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y. | Deposit date: | 2023-11-29 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking. Nat Commun, 15, 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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6RJ2
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![BU of 6rj2 by Molmil](/molmil-images/mine/6rj2) | Crystal structure of PHGDH in complex with compound 40 | Descriptor: | D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | Deposit date: | 2019-04-26 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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8UMT
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![BU of 8umt by Molmil](/molmil-images/mine/8umt) | Atomic model of the human CTF18-RFC-PCNA binary complex in the three-subunit binding state (state 2) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18 homolog, MAGNESIUM ION, ... | 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 (3.33 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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8WA9
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![BU of 8wa9 by Molmil](/molmil-images/mine/8wa9) | Human transketolase soaked with donor ketose D-fructose | Descriptor: | 1,2-ETHANEDIOL, 2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, ... | Authors: | Liu, Z, Tittmann, K, Dai, S. | Deposit date: | 2023-09-07 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Multifaceted Role of the Substrate Phosphate Group in Transketolase Catalysis Acs Catalysis, 14, 2024
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8V6V
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![BU of 8v6v by Molmil](/molmil-images/mine/8v6v) | Cryo-EM structure of doubly-bound SNF2h-nucleosome complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Histone H2A type 1, Histone H2B, ... | Authors: | Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y. | Deposit date: | 2023-12-03 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking. Nat Commun, 15, 2024
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8WXX
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![BU of 8wxx by Molmil](/molmil-images/mine/8wxx) | |
8VLS
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![BU of 8vls by Molmil](/molmil-images/mine/8vls) | Structure of VCP in complex with an ATPase activator (D2 domains only, dodecameric form) | Descriptor: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, Transitional endoplasmic reticulum ATPase | Authors: | Jones, N.H, Urnivicius, L, Kapoor, T.M. | Deposit date: | 2024-01-12 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry. Proc.Natl.Acad.Sci.USA, 121, 2024
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8UN0
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![BU of 8un0 by Molmil](/molmil-images/mine/8un0) | Atomic model of the human CTF18-RFC-PCNA-DNA ternary complex with cracked and closed PCNA (state 7) | 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 (3 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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9LDB
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![BU of 9ldb by Molmil](/molmil-images/mine/9ldb) | DESIGN AND SYNTHESIS OF NEW ENZYMES BASED ON THE LACTATE DEHYDROGENASE FRAMEWORK | Descriptor: | LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID, ... | Authors: | Dunn, C.R, Holbrook, J.J, Muirhead, H. | Deposit date: | 1991-11-26 | Release date: | 1993-10-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design and synthesis of new enzymes based on the lactate dehydrogenase framework. Philos.Trans.R.Soc.London,Ser.B, 332, 1991
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8UMY
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![BU of 8umy by Molmil](/molmil-images/mine/8umy) | Atomic model of the human CTF18-RFC-PCNA-DNA ternary complex with narrow PCNA opening state II (state 6) | 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 (2.83 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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