6NY1
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![BU of 6ny1 by Molmil](/molmil-images/mine/6ny1) | CasX-gRNA-DNA(30bp) State II | Descriptor: | CasX, DNA Non-target strand, DNA target strand, ... | Authors: | Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A. | Deposit date: | 2019-02-10 | Release date: | 2019-02-27 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | CasX enzymes comprise a distinct family of RNA-guided genome editors. Nature, 566, 2019
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7BQE
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![BU of 7bqe by Molmil](/molmil-images/mine/7bqe) | Solution NMR structure of NF3; de novo designed protein with a novel fold | Descriptor: | NF3 | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | Deposit date: | 2020-03-24 | Release date: | 2021-03-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
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7BQQ
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![BU of 7bqq by Molmil](/molmil-images/mine/7bqq) | Solution NMR structure of fold-Z Gogy; de novo designed protein with an asymmetric all-alpha topology | Descriptor: | Gogy | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. | Deposit date: | 2020-03-25 | Release date: | 2021-04-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design of complicated all-alpha protein structures Nat.Struct.Mol.Biol., 2024
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7BQM
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![BU of 7bqm by Molmil](/molmil-images/mine/7bqm) | Solution NMR structure of fold-0 Chantal; de novo designed protein with an asymmetric all-alpha topology | Descriptor: | Chantal | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. | Deposit date: | 2020-03-25 | Release date: | 2021-04-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design of complicated all-alpha protein structures Nat.Struct.Mol.Biol., 2024
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7BQB
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![BU of 7bqb by Molmil](/molmil-images/mine/7bqb) | Solution NMR structure of NF6; de novo designed protein with a novel fold | Descriptor: | NF6 | Authors: | Kobayashi, N, Nagashima, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | Deposit date: | 2020-03-24 | Release date: | 2021-03-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
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7BQC
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![BU of 7bqc by Molmil](/molmil-images/mine/7bqc) | Solution NMR structure of NF4; de novo designed protein with a novel fold | Descriptor: | NF4 | Authors: | Kobayashi, N, Nagashima, T, Minami, S, Koga, R, Chikenji, T, Koga, N. | Deposit date: | 2020-03-24 | Release date: | 2021-03-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
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7BQN
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![BU of 7bqn by Molmil](/molmil-images/mine/7bqn) | Solution NMR structure of fold-C Rei; de novo designed protein with an asymmetric all-alpha topology | Descriptor: | Rei | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. | Deposit date: | 2020-03-25 | Release date: | 2021-04-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design of complicated all-alpha protein structures Nat.Struct.Mol.Biol., 2024
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6O2Q
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![BU of 6o2q by Molmil](/molmil-images/mine/6o2q) | Acetylated Microtubules | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E. | Deposit date: | 2019-02-24 | Release date: | 2019-05-22 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Effects of alpha-tubulin acetylation on microtubule structure and stability. Proc.Natl.Acad.Sci.USA, 116, 2019
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8GUJ
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![BU of 8guj by Molmil](/molmil-images/mine/8guj) | Bre1-nucleosome complex (Model II) | Descriptor: | DNA (147-mer), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ... | Authors: | Onishi, S, Sato, K, Hamada, K, Nishizawa, T, Nureki, O, Ogata, K, Sengoku, T. | Deposit date: | 2022-09-12 | Release date: | 2023-09-20 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structure of the human Bre1 complex bound to the nucleosome. Nat Commun, 15, 2024
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8GUK
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![BU of 8guk by Molmil](/molmil-images/mine/8guk) | Human nucleosome core particle (free form) | Descriptor: | DNA (147-mer), Histone H2A type 1, Histone H2B type 1-J, ... | Authors: | Onishi, S, Sato, K, Nishizawa, T, Nureki, O, Ogata, K, Sengoku, T. | Deposit date: | 2022-09-12 | Release date: | 2023-09-20 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.51 Å) | Cite: | Structure of the human Bre1 complex bound to the nucleosome. Nat Commun, 15, 2024
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8GUI
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![BU of 8gui by Molmil](/molmil-images/mine/8gui) | Bre1-nucleosome complex (Model I) | Descriptor: | DNA (147-mer), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ... | Authors: | Onishi, S, Hamada, K, Sato, K, Nishizawa, T, Nureki, O, Ogata, K, Sengoku, T. | Deposit date: | 2022-09-12 | Release date: | 2023-09-20 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Structure of the human Bre1 complex bound to the nucleosome. Nat Commun, 15, 2024
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7DPV
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![BU of 7dpv by Molmil](/molmil-images/mine/7dpv) | SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-dihydromyricetin | Descriptor: | (2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one, 3C-like proteinase | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease. Nat Commun, 12, 2021
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7DPU
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![BU of 7dpu by Molmil](/molmil-images/mine/7dpu) | SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-myricetin | Descriptor: | 3C-like proteinase, 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, GLYCEROL | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease. Nat Commun, 12, 2021
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7DPP
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![BU of 7dpp by Molmil](/molmil-images/mine/7dpp) | SARS-CoV-2 3CL protease (3CLpro) in complex with myricetin | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, 3C-like proteinase | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease. Nat Commun, 12, 2021
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7DNS
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![BU of 7dns by Molmil](/molmil-images/mine/7dns) | Crystal structure of domain-swapped dimer of H5_Fold-0 Elsa; de novo designed protein with an asymmetric all-alpha topology | Descriptor: | GLYCEROL, de novo designed protein | Authors: | Suzuki, K, Kobayashi, N, Murata, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. | Deposit date: | 2020-12-10 | Release date: | 2021-07-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.327 Å) | Cite: | Design of complicated all-alpha protein structures Nat.Struct.Mol.Biol., 2024
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4WXJ
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![BU of 4wxj by Molmil](/molmil-images/mine/4wxj) | Drosophila muscle GluRIIB complex with glutamate | Descriptor: | GLUTAMIC ACID, Glutamate receptor IIB,Glutamate receptor IIB | Authors: | Dharkar, P, Mayer, M.L. | Deposit date: | 2014-11-13 | Release date: | 2015-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Functional reconstitution of Drosophila melanogaster NMJ glutamate receptors. Proc.Natl.Acad.Sci.USA, 112, 2015
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6PLG
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![BU of 6plg by Molmil](/molmil-images/mine/6plg) | Crystal structure of human PHGDH complexed with Compound 15 | Descriptor: | (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid, D-3-phosphoglycerate dehydrogenase, D-MALATE | Authors: | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | Deposit date: | 2019-06-30 | Release date: | 2019-07-24 | Last modified: | 2019-09-04 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells. Bioorg.Med.Chem.Lett., 29, 2019
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7BJD
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![BU of 7bjd by Molmil](/molmil-images/mine/7bjd) | Crystal structure of CHK1-10pt-mutant complex with compound 3 | Descriptor: | 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | Deposit date: | 2021-01-14 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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7BJH
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![BU of 7bjh by Molmil](/molmil-images/mine/7bjh) | Crystal structure of CHK1-10pt-mutant complex with compound 8 | Descriptor: | CHLORIDE ION, N,N-dimethyl-7H-purin-6-amine, Serine/threonine-protein kinase Chk1 | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | Deposit date: | 2021-01-14 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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7DWQ
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![BU of 7dwq by Molmil](/molmil-images/mine/7dwq) | Photosystem I from a chlorophyll d-containing cyanobacterium Acaryochloris marina | Descriptor: | (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Chen, J.H, Zhang, X, Shen, J.R. | Deposit date: | 2021-01-17 | Release date: | 2021-06-02 | Last modified: | 2021-10-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | A unique photosystem I reaction center from a chlorophyll d-containing cyanobacterium Acaryochloris marina. J Integr Plant Biol, 63, 2021
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8CT8
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![BU of 8ct8 by Molmil](/molmil-images/mine/8ct8) | Crystal structure of Drosophila melanogaster PRL/CBS-pair domain complex | Descriptor: | IODIDE ION, PRL-1 phosphatase, Unextended protein | Authors: | Fakih, R, Goldstein, R.H, Kozlov, G, Gehring, K. | Deposit date: | 2022-05-13 | Release date: | 2023-03-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Burst kinetics and CNNM binding are evolutionarily conserved properties of phosphatases of regenerating liver. J.Biol.Chem., 299, 2023
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6PLF
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![BU of 6plf by Molmil](/molmil-images/mine/6plf) | Crystal structure of human PHGDH complexed with Compound 1 | Descriptor: | 1,2-ETHANEDIOL, 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid, D-3-phosphoglycerate dehydrogenase | Authors: | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | Deposit date: | 2019-06-30 | Release date: | 2019-07-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells. Bioorg.Med.Chem.Lett., 29, 2019
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8ITO
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![BU of 8ito by Molmil](/molmil-images/mine/8ito) | |
6Q4S
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![BU of 6q4s by Molmil](/molmil-images/mine/6q4s) | Crystal structure of a-eudesmol synthase | Descriptor: | CHLORIDE ION, Pentalenene synthase | Authors: | Correia Cordeiro, R.S, Hakansson, M, Logan, D.T, Kourist, R. | Deposit date: | 2018-12-06 | Release date: | 2018-12-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of three novel sesquiterpene synthases from Streptomyces chartreusis NRRL 3882 and crystal structure of an alpha-eudesmol synthase. J.Biotechnol., 297, 2019
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7BJM
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![BU of 7bjm by Molmil](/molmil-images/mine/7bjm) | Crystal structure of CHK1-10pt-mutant complex with compound 10 | Descriptor: | 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1 | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | Deposit date: | 2021-01-14 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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