6JTO
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![BU of 6jto by Molmil](/molmil-images/mine/6jto) | Crystal structure of HLA-C05 in complex with a tumor mut10m peptide | Descriptor: | 10-mer peptide, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Bai, P, Zhou, Q, Wei, P, Lei, Y. | Deposit date: | 2019-04-11 | Release date: | 2020-04-15 | Last modified: | 2021-05-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Rational discovery of a cancer neoepitope harboring the KRAS G12D driver mutation. Sci China Life Sci, 2021
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7QZ7
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6G0D
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5FJL
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7MU3
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![BU of 7mu3 by Molmil](/molmil-images/mine/7mu3) | human carbonic anhydrase 9 mimic with compound | Descriptor: | Carbonic anhydrase 2, GLYCEROL, IMIDAZOLE, ... | Authors: | Peat, T.S. | Deposit date: | 2021-05-14 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Privileged scaffolds in medicinal chemistry: Studies on pyrazolo[1,5-a]pyrimidines on sulfonamide containing Carbonic Anhydrase inhibitors. Bioorg.Med.Chem.Lett., 49, 2021
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8SWL
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5FK6
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6R4B
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![BU of 6r4b by Molmil](/molmil-images/mine/6r4b) | Aurora-A in complex with shape-diverse fragment 56 | Descriptor: | (6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2019-03-22 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
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8T88
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6FPQ
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![BU of 6fpq by Molmil](/molmil-images/mine/6fpq) | Structure of S. pombe Mmi1 in complex with 7-mer RNA | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, RNA (5'-R(*UP*UP*AP*AP*AP*CP*C)-3'), YTH domain-containing protein mmi1 | Authors: | Stowell, J.A.W, Hill, C.H, Yu, M, Wagstaff, J.L, McLaughlin, S.H, Freund, S.M.V, Passmore, L.A. | Deposit date: | 2018-02-11 | Release date: | 2018-05-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | A low-complexity region in the YTH domain protein Mmi1 enhances RNA binding. J. Biol. Chem., 293, 2018
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7M7K
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5FJJ
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![BU of 5fjj by Molmil](/molmil-images/mine/5fjj) | Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. Family GH3 beta-D-glucosidases | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-GLUCOSIDASE, ... | Authors: | Agirre, J, Ariza, A, Offen, W.A, Turkenburg, J.P, Roberts, S.M, McNicholas, S, Harris, P.V, McBrayer, B, Dohnalek, J, Cowtan, K.D, Davies, G.J, Wilson, K.S. | Deposit date: | 2015-10-09 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Three-Dimensional Structures of Two Heavily N-Glycosylated Aspergillus Sp. Family Gh3 Beta-D-Glucosidases Acta Crystallogr.,Sect.D, 72, 2016
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6DHJ
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6G0Z
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![BU of 6g0z by Molmil](/molmil-images/mine/6g0z) | Crystal structure of GDP bound RbgA from S. aureus | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Ribosome biogenesis GTPase A | Authors: | Pausch, P, Bange, G. | Deposit date: | 2018-03-20 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis for (p)ppGpp-mediated inhibition of the GTPase RbgA. J. Biol. Chem., 293, 2018
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8BIA
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![BU of 8bia by Molmil](/molmil-images/mine/8bia) | Crystal structure of Scribble PDZ1 with PTHR | Descriptor: | PHOSPHATE ION, Parathyroid hormone/parathyroid hormone-related peptide receptor, Protein scribble homolog | Authors: | Stewart, B.Z, Kvansakul, M. | Deposit date: | 2022-11-02 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide To Be Published
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8TCY
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![BU of 8tcy by Molmil](/molmil-images/mine/8tcy) | Structure of PYCR1 complexed with 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid | Descriptor: | 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid, DI(HYDROXYETHYL)ETHER, Pyrroline-5-carboxylate reductase 1, ... | Authors: | Tanner, J.J, Meeks, K.R. | Deposit date: | 2023-07-02 | Release date: | 2024-03-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography. J.Chem.Inf.Model., 64, 2024
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5FLP
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![BU of 5flp by Molmil](/molmil-images/mine/5flp) | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | Descriptor: | 5-[(2-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | Deposit date: | 2015-10-28 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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6FPW
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![BU of 6fpw by Molmil](/molmil-images/mine/6fpw) | Structure of fully reduced Hydrogenase (Hyd-1) | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, FE3-S4 CLUSTER, ... | Authors: | Carr, S.B, Armstrong, F.A, Evans, R.M. | Deposit date: | 2018-02-12 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase. J. Am. Chem. Soc., 140, 2018
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5FKS
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![BU of 5fks by Molmil](/molmil-images/mine/5fks) | Unraveling the first step of xyloglucan degradation by the soil saprophyte Cellvibrio japonicus through the functional and structural characterization of a potent GH74 endo-xyloglucanase | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, ENDO-1,4-BETA-GLUCANASE/XYLOGLUCANASE, ... | Authors: | Attia, M, Stepper, J, Davies, G.J, Brumer, H. | Deposit date: | 2015-10-19 | Release date: | 2015-11-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Functional and Structural Characterization of a Potent Gh74 Endo-Xyloglucanase from the Soil Saprophyte Cellvibrio Japonicus Unravels the First Step of Xyloglucan Degradation. FEBS J., 283, 2016
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8BIQ
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![BU of 8biq by Molmil](/molmil-images/mine/8biq) | Crystal structure of acyl-COA synthetase from Metallosphaera sedula in complex with acetyl-AMP | Descriptor: | 4-hydroxybutyrate--CoA ligase 1, ADENOSINE MONOPHOSPHATE, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate | Authors: | Capra, N, Thunnissen, A.M.W.H, Janssen, D.B. | Deposit date: | 2022-11-02 | Release date: | 2023-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Adapting an acyl CoA ligase from Metallosphaera sedula for lactam formation by structure-guided protein engineering Front Catal, 4, 2024
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7R0Y
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![BU of 7r0y by Molmil](/molmil-images/mine/7r0y) | ATAD2 in complex with PepLite-Glu | Descriptor: | (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-02-02 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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6G1I
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![BU of 6g1i by Molmil](/molmil-images/mine/6g1i) | GH124 cellulase from Ruminiclostridium thermocellum in complex with Mn and fructosylated cellopentaose | Descriptor: | Glycosyl Hydrolase, MALONIC ACID, MANGANESE (II) ION, ... | Authors: | Urresti, S, Davies, G.J, Walton, P.H. | Deposit date: | 2018-03-21 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Structural studies of the unusual metal-ion site of the GH124 endoglucanase from Ruminiclostridium thermocellum. Acta Crystallogr F Struct Biol Commun, 74, 2018
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8BOE
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7QZ9
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6FR9
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