5I9T
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![BU of 5i9t by Molmil](/molmil-images/mine/5i9t) | Caspase 3 V266C | Descriptor: | ACE-ASP-GLU-VAL-ASK, ACETATE ION, Caspase-3 | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | Deposit date: | 2016-02-20 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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7B5R
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![BU of 7b5r by Molmil](/molmil-images/mine/7b5r) | Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: CUL1-RBX1-SKP1-SKP2-CKSHS1-Cyclin A-CDK2-p27 | Descriptor: | Cullin-1, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Horn-Ghetko, D, Prabu, J.R, Schulman, B.A. | Deposit date: | 2020-12-07 | Release date: | 2021-02-10 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Ubiquitin ligation to F-box protein targets by SCF-RBR E3-E3 super-assembly. Nature, 590, 2021
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8FQL
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![BU of 8fql by Molmil](/molmil-images/mine/8fql) | Portal vertex of HK97 phage | Descriptor: | Portal protein | Authors: | Huet, A, Oh, B, Maurer, J, Duda, R.L, Conway, J.F. | Deposit date: | 2023-01-06 | Release date: | 2023-06-28 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A symmetry mismatch unraveled: How phage HK97 scaffold flexibly accommodates a 12-fold pore at a 5-fold viral capsid vertex. Sci Adv, 9, 2023
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8FHL
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![BU of 8fhl by Molmil](/molmil-images/mine/8fhl) | |
7B5L
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![BU of 7b5l by Molmil](/molmil-images/mine/7b5l) | Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: NEDD8-CUL1-RBX1-SKP1-SKP2-CKSHS1-Cyclin A-CDK2-p27-UBE2L3~Ub~ARIH1. Transition State 1 | Descriptor: | 5-azanylpentan-2-one, Cullin-1, Cyclin-A2, ... | Authors: | Horn-Ghetko, D, Prabu, J.R, Schulman, B.A. | Deposit date: | 2020-12-04 | Release date: | 2021-02-10 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Ubiquitin ligation to F-box protein targets by SCF-RBR E3-E3 super-assembly. Nature, 590, 2021
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8PNQ
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8FQK
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![BU of 8fqk by Molmil](/molmil-images/mine/8fqk) | Asymmetric unit of HK97 phage prohead I | Descriptor: | Scaffolding domain delta | Authors: | Huet, A, Oh, B, Maurer, J, Duda, R.L, Conway, J.F. | Deposit date: | 2023-01-06 | Release date: | 2023-06-28 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | A symmetry mismatch unraveled: How phage HK97 scaffold flexibly accommodates a 12-fold pore at a 5-fold viral capsid vertex. Sci Adv, 9, 2023
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8PNP
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6US2
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![BU of 6us2 by Molmil](/molmil-images/mine/6us2) | MTH1 in complex with compound 5 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide | Authors: | Newby, Z.E.R, Lansdon, E.B. | Deposit date: | 2019-10-24 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.80012655 Å) | Cite: | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation. Acs Med.Chem.Lett., 11, 2020
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7KJ4
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![BU of 7kj4 by Molmil](/molmil-images/mine/7kj4) | SARS-CoV-2 Spike Glycoprotein with three ACE2 Bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B. | Deposit date: | 2020-10-25 | Release date: | 2020-11-11 | Last modified: | 2021-02-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent. Nat.Struct.Mol.Biol., 28, 2021
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7B5M
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![BU of 7b5m by Molmil](/molmil-images/mine/7b5m) | Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: CUL1-RBX1-SKP1-SKP2-CKSHS1-p27~Ub~ARIH1. Transition State 2 | Descriptor: | Cullin-1, Cyclin-dependent kinase inhibitor 1B, Cyclin-dependent kinases regulatory subunit 1, ... | Authors: | Horn-Ghetko, D, Prabu, J.R, Schulman, B.A. | Deposit date: | 2020-12-05 | Release date: | 2021-02-17 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | Ubiquitin ligation to F-box protein targets by SCF-RBR E3-E3 super-assembly. Nature, 590, 2021
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6AEI
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![BU of 6aei by Molmil](/molmil-images/mine/6aei) | Cryo-EM structure of the receptor-activated TRPC5 ion channel | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ... | Authors: | Duan, J, Li, Z, Li, J, Zhang, J. | Deposit date: | 2018-08-05 | Release date: | 2019-08-07 | Last modified: | 2019-08-14 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Cryo-EM structure of TRPC5 at 2.8- angstrom resolution reveals unique and conserved structural elements essential for channel function. Sci Adv, 5, 2019
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8F7X
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![BU of 8f7x by Molmil](/molmil-images/mine/8f7x) | Gi bound nociceptin receptor in complex with nociceptin peptide | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Wang, Y, Zhuang, Y, DiBerto, J.F, Zhou, X.E, Schmitz, G.P, Yuan, Q, Jain, M.K, Liu, W, Melcher, K, Jiang, Y, Roth, B.L, Xu, H.E. | Deposit date: | 2022-11-20 | Release date: | 2022-12-14 | Last modified: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structures of the entire human opioid receptor family. Cell, 186, 2023
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5BJW
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![BU of 5bjw by Molmil](/molmil-images/mine/5bjw) | X-ray structure of the PglF 4,6-dehydratase from campylobacter jejuni, T595S variant, in complex with UDP | Descriptor: | 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | Authors: | Riegert, A.S, Thoden, J.B, Holden, H.M. | Deposit date: | 2017-09-12 | Release date: | 2017-11-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Biochemical Investigation of PglF from Campylobacter jejuni Reveals a New Mechanism for a Member of the Short Chain Dehydrogenase/Reductase Superfamily. Biochemistry, 56, 2017
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6UPL
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![BU of 6upl by Molmil](/molmil-images/mine/6upl) | Structure of FACT_subnucleosome complex 2 | Descriptor: | DNA (79-mer), FACT complex subunit SPT16, FACT complex subunit SSRP1, ... | Authors: | Zhou, K, Tan, Y.Z, Wei, H, Liu, Y, Carragher, B, Potter, C, Luger, K. | Deposit date: | 2019-10-17 | Release date: | 2019-12-11 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (7.4 Å) | Cite: | FACT caught in the act of manipulating the nucleosome. Nature, 577, 2020
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8PQ4
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7SQZ
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![BU of 7sqz by Molmil](/molmil-images/mine/7sqz) | CSDaV wild-type | Descriptor: | Citrus Sudden Death-associated Virus Capsid Protein | Authors: | Guo, F, Matsumura, E.E, Falk, B.W. | Deposit date: | 2021-11-07 | Release date: | 2022-05-25 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Citrus sudden death-associated virus as a new expression vector for rapid in planta production of heterologous proteins, chimeric virions, and virus-like particles. Biotechnol Rep., 35, 2022
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6F0G
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![BU of 6f0g by Molmil](/molmil-images/mine/6f0g) | Crystal structure ASF1-ip3 | Descriptor: | Histone chaperone ASF1A, SULFATE ION, ip3 | Authors: | Gaubert, A, Guichard, B, Richet, N, Le Du, M.H, Andreani, J, Guerois, R, Ochsenbein, F. | Deposit date: | 2017-11-20 | Release date: | 2019-06-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design on a Rational Basis of High-Affinity Peptides Inhibiting the Histone Chaperone ASF1. Cell Chem Biol, 26, 2019
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6UPK
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![BU of 6upk by Molmil](/molmil-images/mine/6upk) | Structure of FACT_subnucleosome complex 1 | Descriptor: | DNA (79-mer), FACT complex subunit SPT16, FACT complex subunit SSRP1, ... | Authors: | Zhou, K, Tan, Y.Z, Wei, H, Liu, Y, Carragher, B, Potter, C, Luger, K. | Deposit date: | 2019-10-17 | Release date: | 2019-12-11 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | FACT caught in the act of manipulating the nucleosome. Nature, 577, 2020
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4PXO
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![BU of 4pxo by Molmil](/molmil-images/mine/4pxo) | Crystal structure of Maleylacetoacetate isomerase from Methylobacteriu extorquens AM1 WITH BOUND MALONATE AND GSH (TARGET EFI-507068) | Descriptor: | 1,2-ETHANEDIOL, GLUTATHIONE, MALONIC ACID, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-03-24 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of glutathione s-transferase zeta from Methylobacterium extorquens (TARGET EFI-507068) To be Published
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6US3
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![BU of 6us3 by Molmil](/molmil-images/mine/6us3) | MTH1 in complex with compound 4 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide | Authors: | Newby, Z.E.R, Lansdon, E.B. | Deposit date: | 2019-10-24 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.47028923 Å) | Cite: | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation. Acs Med.Chem.Lett., 11, 2020
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7ZJB
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![BU of 7zjb by Molmil](/molmil-images/mine/7zjb) | Structural and functional characterization of the bacterial lytic polysaccharide Monooxygenase ScLPMO10D | Descriptor: | COPPER (II) ION, Putative secreted cellulose-binding protein, SODIUM ION, ... | Authors: | Votvik, A.K, Rohr, A.K, Stepnov, A.A, Bissaro, B, Sorlie, M, Eijsink, V.G.H, Forsberg, Z. | Deposit date: | 2022-04-10 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structural and functional characterization of the catalytic domain of a cell-wall anchored bacterial lytic polysaccharide monooxygenase from Streptomyces coelicolor. Sci Rep, 13, 2023
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7ZKA
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![BU of 7zka by Molmil](/molmil-images/mine/7zka) | ABCB1 V978C mutant (mABCB1) in the outward facing state bound to AAC | Descriptor: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ... | Authors: | Parey, K, Januliene, D, Gewering, T, Urbatsch, I, Zhang, Q, Moeller, A. | Deposit date: | 2022-04-12 | Release date: | 2023-04-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Tracing the substrate translocation mechanism in P-glycoprotein. Elife, 12, 2024
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6F1J
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![BU of 6f1j by Molmil](/molmil-images/mine/6f1j) | Structure of a Talaromyces pinophilus GH62 Arabinofuranosidase in complex with AraDNJ at 1.25A resolution | Descriptor: | 1,4-DIDEOXY-1,4-IMINO-L-ARABINITOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Moroz, O.V, Sobala, L, Blagova, E, Coyle, T, Morkeberg Krogh, K.B.R, Wei, P, Stubbs, K, Wilson, K.S, Davies, G.J. | Deposit date: | 2017-11-22 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structure of a Talaromyces pinophilus GH62 arabinofuranosidase in complex with AraDNJ at 1.25 angstrom resolution. Acta Crystallogr F Struct Biol Commun, 74, 2018
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6US4
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![BU of 6us4 by Molmil](/molmil-images/mine/6us4) | MTH1 in complex with compound 32 | Descriptor: | 5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase | Authors: | Newby, Z.E.R, Lansdon, E.B. | Deposit date: | 2019-10-24 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95032907 Å) | Cite: | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation. Acs Med.Chem.Lett., 11, 2020
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