8FOW
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![BU of 8fow by Molmil](/molmil-images/mine/8fow) | Ternary complex of CDK2 with small molecule ligands TW8672 and Dinaciclib | Descriptor: | 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, ... | Authors: | Schonbrunn, E, Sun, L. | Deposit date: | 2023-01-03 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding. Nat Commun, 14, 2023
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9F5K
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![BU of 9f5k by Molmil](/molmil-images/mine/9f5k) | UP1 in complex with Z33546965 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-29 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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8UWS
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![BU of 8uws by Molmil](/molmil-images/mine/8uws) | Cryo-EM structure of an Enterobacter GH43 Beta-Xylosidase: EcXyl43 | Descriptor: | Beta-xylosidase, CALCIUM ION | Authors: | Briganti, L, Godoy, A.S, Capetti, C.C.M, Portugal, R.V, Polikarpov, I. | Deposit date: | 2023-11-08 | Release date: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | Cryo-EM structure of an Enterobacter GH43 Beta-Xylosidase: EcXyl43 To Be Published
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9F5G
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![BU of 9f5g by Molmil](/molmil-images/mine/9f5g) | UP1 in complex with EN300-115958 | Descriptor: | 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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8WNW
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![BU of 8wnw by Molmil](/molmil-images/mine/8wnw) | the structure of PsaQ | Descriptor: | 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, CHLOROPHYLL A, PsaQ | Authors: | Zhang, S.M, Si, L, Li, M. | Deposit date: | 2023-10-06 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Growth phase-dependent reorganization of cryptophyte photosystem I antennae. Commun Biol, 7, 2024
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8VZ9
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![BU of 8vz9 by Molmil](/molmil-images/mine/8vz9) | Crystal structure of mouse MAIT M2A TCR-MR1-5-OP-RU complex | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Ciacchi, L, Rossjohn, J, Awad, W. | Deposit date: | 2024-02-11 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Mouse mucosal-associated invariant T cell receptor recognition of MR1 presenting the vitamin B metabolite, 5-(2-oxopropylideneamino)-6-d-ribitylaminouracil. J.Biol.Chem., 300, 2024
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8WMG
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![BU of 8wmg by Molmil](/molmil-images/mine/8wmg) | Structure of ConA/Man3 | Descriptor: | 4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid, CALCIUM ION, Concanavalin-A, ... | Authors: | Li, L, Chen, G. | Deposit date: | 2023-10-03 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Rational design of inducing ligands with three-dimensional supramolecular interactions to build protein crystalline frameworks. To Be Published
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9F4Z
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![BU of 9f4z by Molmil](/molmil-images/mine/9f4z) | UP1 in complex with Z57040482 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(2-hydroxyphenyl)acetamide | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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8X7X
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![BU of 8x7x by Molmil](/molmil-images/mine/8x7x) | Crystal structure of SADS-CoV fusion core | Descriptor: | CHLORIDE ION, HR1, HR2 | Authors: | Yan, L. | Deposit date: | 2023-11-26 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal Structures of Fusion Cores from CCoV-HuPn-2018 and SADS-CoV. Viruses, 16, 2024
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8WEJ
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![BU of 8wej by Molmil](/molmil-images/mine/8wej) | |
8W6C
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![BU of 8w6c by Molmil](/molmil-images/mine/8w6c) | CryoEM structure of NaDC1 with Citrate | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CHOLESTEROL HEMISUCCINATE, CITRIC ACID, ... | Authors: | Chi, X, Chen, Y, Li, Y, Dai, L, Zhang, Y, Shen, Y, Chen, Y, Shi, T, Yang, H, Wang, Z, Yan, R. | Deposit date: | 2023-08-28 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism. Sci Adv, 10, 2024
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5E6Z
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![BU of 5e6z by Molmil](/molmil-images/mine/5e6z) | Crystal structure of Ecoli Branching Enzyme with beta cyclodextrin | Descriptor: | 1,4-alpha-glucan branching enzyme GlgB, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL | Authors: | Feng, L, Nosrati, M, Geiger, J.H. | Deposit date: | 2015-10-11 | Release date: | 2015-12-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.878 Å) | Cite: | Crystal structures of Escherichia coli branching enzyme in complex with cyclodextrins. Acta Crystallogr D Struct Biol, 72, 2016
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8Z9R
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![BU of 8z9r by Molmil](/molmil-images/mine/8z9r) | Cryo-EM structure of Thogoto virus polymerase in a replication elongation-reception conformation | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-D(*(ATP))-R(P*GP*CP*AP*AP*AP*AP*AP*CP*A)-3'), ... | Authors: | Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X. | Deposit date: | 2024-04-23 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses. Nat Commun, 15, 2024
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8VL7
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![BU of 8vl7 by Molmil](/molmil-images/mine/8vl7) | Co-crystal structure of human TREX1 in complex with an inhibitor | Descriptor: | (2P)-2-[3-bromo-2-(2-hydroxyethoxy)phenyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Dehghani-Tafti, S, Dong, A, Li, Y, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | Deposit date: | 2024-01-11 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Co-crystal structure of human TREX1 in complex with an inhibitor To be published
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8Y6P
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![BU of 8y6p by Molmil](/molmil-images/mine/8y6p) | |
8W6K
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![BU of 8w6k by Molmil](/molmil-images/mine/8w6k) | in situ room temperature Laue crystallography | Descriptor: | Lysozyme C | Authors: | Wang, Z.J, Wang, S.S, Pan, Q.Y, Yu, L, Su, Z.H, Yang, T.Y, Wang, Y.Z, Zhang, W.Z, Hao, Q, Gao, X.Y. | Deposit date: | 2023-08-29 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | BL03HB: Laue crystallography beamline at SSRF To Be Published
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7NQG
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![BU of 7nqg by Molmil](/molmil-images/mine/7nqg) | The structure of the SBP TarP_Rhp in complex with 4-hydroxyphenylacetate | Descriptor: | 1,2-ETHANEDIOL, 4-HYDROXYPHENYLACETATE, PHOSPHATE ION, ... | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | Deposit date: | 2021-03-01 | Release date: | 2021-10-06 | Last modified: | 2022-01-26 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters. Febs J., 289, 2022
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8Z50
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![BU of 8z50 by Molmil](/molmil-images/mine/8z50) | Crystal structure of the ASF1-H3T-H4 complex | Descriptor: | Histone H3.1t, Histone H4, Histone chaperone ASF1A | Authors: | Xu, L. | Deposit date: | 2024-04-18 | Release date: | 2024-07-03 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into instability of the nucleosome driven by histone variant H3T. Biochem.Biophys.Res.Commun., 727, 2024
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8VKT
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![BU of 8vkt by Molmil](/molmil-images/mine/8vkt) | Crystallographic structure of dimetalated DapE from Enterococcus faecium | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Probable succinyl-diaminopimelate desuccinylase, ... | Authors: | Gonzalez-Segura, L, Diaz-Vilchis, A, Terrazas-Lopez, M, Diaz-Sanchez, A.G. | Deposit date: | 2024-01-09 | Release date: | 2024-05-29 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.398 Å) | Cite: | The three-dimensional structure of DapE from Enterococcus faecium reveals new insights into DapE/ArgE subfamily ligand specificity. Int.J.Biol.Macromol., 270, 2024
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8WNS
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![BU of 8wns by Molmil](/molmil-images/mine/8wns) | Cryo EM map of SLC7A10 in the apo 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 (3.42 Å) | Cite: | Cryo-EM structure of the human Asc-1 transporter complex. Nat Commun, 15, 2024
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5DP6
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![BU of 5dp6 by Molmil](/molmil-images/mine/5dp6) | Crystal Structure of EV71 3C Proteinase in complex with compound 7 | Descriptor: | 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-cyclopropylpropanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Authors: | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | Deposit date: | 2015-09-12 | Release date: | 2016-03-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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9BBG
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![BU of 9bbg by Molmil](/molmil-images/mine/9bbg) | Co-crystal structure of human DDB1 bound to fragment UB028671 | Descriptor: | 1,2-ETHANEDIOL, 1H-indol-6-amine, DNA damage-binding protein 1, ... | Authors: | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Co-crystal structure of human DDB1 bound to fragment UB028671 To be published
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9ASB
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![BU of 9asb by Molmil](/molmil-images/mine/9asb) | Structure of human calcium-sensing receptor in complex with chimeric Gq (miniGisq) protein in nanodiscs | Descriptor: | (19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zuo, H, Park, J, Frangaj, A, Ye, J, Lu, G, Manning, J.J, Asher, W.B, Lu, Z, Hu, G, Wang, L, Mendez, J, Eng, E, Zhang, Z, Lin, X, Grasucci, R, Hendrickson, W.A, Clarke, O.B, Javitch, J.A, Conigrave, A.D, Fan, Q.R. | Deposit date: | 2024-02-24 | Release date: | 2024-04-17 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Promiscuous G-protein activation by the calcium-sensing receptor. Nature, 629, 2024
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8Z8N
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![BU of 8z8n by Molmil](/molmil-images/mine/8z8n) | Cryo-EM structure of Thogoto virus polymerase in transcription pre-initiation conformation 3 | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*AP*GP*AP*AP*AP*UP*CP*AP*AP*GP*GP*CP*AP*GP*UP*U)-3'), ... | Authors: | Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X. | Deposit date: | 2024-04-22 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses. Nat Commun, 15, 2024
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5E8M
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![BU of 5e8m by Molmil](/molmil-images/mine/5e8m) | Crystal structure of human heparanase | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Wu, L, Davies, G.J. | Deposit date: | 2015-10-14 | Release date: | 2015-11-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural characterization of human heparanase reveals insights into substrate recognition. Nat.Struct.Mol.Biol., 22, 2015
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