5K3K
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![BU of 5k3k by Molmil](/molmil-images/mine/5k3k) | Crystal structure of laccase from Thermus thermophilus HB27 (CuSO4, 20 min) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, ... | Authors: | Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E. | Deposit date: | 2016-05-19 | Release date: | 2017-05-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.644 Å) | Cite: | Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase To be Published
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8D9Y
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![BU of 8d9y by Molmil](/molmil-images/mine/8d9y) | Crystal structure of Taipan alpha-neurotoxin in complex with Centi-3FTX-D09 antibody | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Centi-3FTX-D09 Fab heavy chain, ... | Authors: | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | Deposit date: | 2022-06-12 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Venom protection by antibody from a snakebite hyperimmune subject To Be Published
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5CWV
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![BU of 5cwv by Molmil](/molmil-images/mine/5cwv) | Crystal structure of Chaetomium thermophilum Nup192 TAIL domain | Descriptor: | Nucleoporin NUP192 | Authors: | Stuwe, T, Bley, C.J, Thierbach, K, Petrovic, S, Schilbach, S, Mayo, D.J, Perriches, T, Rundlet, E.J, Jeon, Y.E, Collins, L.N, Lin, D.H, Paduch, M, Koide, A, Lu, V, Fischer, J, Hurt, E, Koide, S, Kossiakoff, A.A, Hoelz, A. | Deposit date: | 2015-07-28 | Release date: | 2015-09-16 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (3.155 Å) | Cite: | Architecture of the fungal nuclear pore inner ring complex. Science, 350, 2015
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6BQI
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![BU of 6bqi by Molmil](/molmil-images/mine/6bqi) | Structure of two-domain translational regulator Yih1 reveals a possible mechanism of action | Descriptor: | Protein IMPACT homolog | Authors: | Harjes, E, Jameson, G.B, Edwards, P.J.B, Goroncy, A.K, Loo, T, Norris, G.E. | Deposit date: | 2017-11-27 | Release date: | 2018-11-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR, SOLUTION SCATTERING | Cite: | Experimentally based structural model of Yih1 provides insight into its function in controlling the key translational regulator Gcn2. Febs Lett., 2020
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5K84
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![BU of 5k84 by Molmil](/molmil-images/mine/5k84) | Crystal structure of laccase from Thermus thermophilus HB27 (sodium nitrate 10 min) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase | Authors: | Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E. | Deposit date: | 2016-05-27 | Release date: | 2017-06-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase To be Published
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6Q3C
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![BU of 6q3c by Molmil](/molmil-images/mine/6q3c) | CDK2 in complex with FragLite1 | Descriptor: | 4-bromo-1H-pyrazole, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-04 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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7LL0
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![BU of 7ll0 by Molmil](/molmil-images/mine/7ll0) | |
6Q6R
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![BU of 6q6r by Molmil](/molmil-images/mine/6q6r) | Recognition of different base tetrads by RHAU: X-ray crystal structure of G4 recognition motif bound to the 3-end tetrad of a DNA G-quadruplex | Descriptor: | ATP-dependent DNA/RNA helicase DHX36, POTASSIUM ION, Parallel stranded DNA G-quadruplex | Authors: | Heddi, B, Cheong, V.V, Schmitt, E, Mechulam, Y, Phan, A.T. | Deposit date: | 2018-12-11 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Recognition of different base tetrads by RHAU (DHX36): X-ray crystal structure of the G4 recognition motif bound to the 3'-end tetrad of a DNA G-quadruplex. J.Struct.Biol., 209, 2020
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8DA0
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![BU of 8da0 by Molmil](/molmil-images/mine/8da0) | Crystal structure of Mamba alpha-neurotoxin in complex with Centi-3FTX-D09 antibody | Descriptor: | ACETATE ION, Alpha-elapitoxin-Dpp2d, Centi-3FTX-D09 Fab heavy chain, ... | Authors: | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | Deposit date: | 2022-06-12 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Venom protection by antibody from a snakebite hyperimmune subject To Be Published
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6Q3B
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![BU of 6q3b by Molmil](/molmil-images/mine/6q3b) | CDK2 in complex with FragLite2 | Descriptor: | 4-IODOPYRAZOLE, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-04 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q49
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![BU of 6q49 by Molmil](/molmil-images/mine/6q49) | CDK2 in complex with FragLite6 | Descriptor: | 4-bromanyl-1~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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8DFY
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![BU of 8dfy by Molmil](/molmil-images/mine/8dfy) | Crystal structure of Human BTN2A1 Ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Butyrophilin subfamily 2 member A1, ... | Authors: | Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P. | Deposit date: | 2022-06-22 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.552 Å) | Cite: | Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers To Be Published
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6Q4G
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![BU of 6q4g by Molmil](/molmil-images/mine/6q4g) | CDK2 in complex with FragLite37 | Descriptor: | 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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4LG2
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![BU of 4lg2 by Molmil](/molmil-images/mine/4lg2) | Crystal structure of Reston Ebola virus VP35 RNA binding domain bound to 12-bp dsRNA | Descriptor: | Polymerase cofactor, dsRNA | Authors: | Bale, S, Julien, J.-P, Bornholdt, Z.A, Krois, A.S, Wilson, I.A, Saphire, E.O. | Deposit date: | 2013-06-27 | Release date: | 2013-07-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ebolavirus VP35 coats the backbone of double-stranded RNA for interferon antagonism. J.Virol., 87, 2013
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5NFW
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![BU of 5nfw by Molmil](/molmil-images/mine/5nfw) | Neutron structure of human transthyretin (TTR) S52P mutant at room temperature to 1.8A resolution (quasi-Laue) | Descriptor: | Transthyretin | Authors: | Yee, A.W, Moulin, M, Blakeley, M.P, Cooper, J.B, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | Deposit date: | 2017-03-16 | Release date: | 2019-01-02 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | Cite: | A molecular mechanism for transthyretin amyloidogenesis. Nat Commun, 10, 2019
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6T2H
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![BU of 6t2h by Molmil](/molmil-images/mine/6t2h) | Furano[2,3-d]prymidine amides as Notum inhibitors | Descriptor: | 1,2-ETHANEDIOL, 2-[[(4~{S})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-10-08 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Scaffold-hopping identifies furano[2,3-d]pyrimidine amides as potent Notum inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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8AD4
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![BU of 8ad4 by Molmil](/molmil-images/mine/8ad4) | X-ray structure of NqrF(129-408)of Vibrio cholerae in complex with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit F, ... | Authors: | Fritz, G. | Deposit date: | 2022-07-07 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase. Nat.Struct.Mol.Biol., 30, 2023
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8AD5
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![BU of 8ad5 by Molmil](/molmil-images/mine/8ad5) | X-ray structure of NqrF(129-408)of Vibrio cholerae variant F406A | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit F, ... | Authors: | Fritz, G. | Deposit date: | 2022-07-07 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase. Nat.Struct.Mol.Biol., 30, 2023
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1Y3D
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![BU of 1y3d by Molmil](/molmil-images/mine/1y3d) | Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 R67A mutant | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | Authors: | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | Deposit date: | 2004-11-24 | Release date: | 2005-05-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2 Biochemistry, 44, 2005
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5JX9
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![BU of 5jx9 by Molmil](/molmil-images/mine/5jx9) | Crystal structure of laccase from Thermus thermophilus HB27 (Cu(II)-cyclophanes, 5 min) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase | Authors: | Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E. | Deposit date: | 2016-05-12 | Release date: | 2017-06-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase To be Published
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8DK4
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![BU of 8dk4 by Molmil](/molmil-images/mine/8dk4) | Peroxisome proliferator-activated receptor gamma in complex with VSP-51-2 | Descriptor: | 5-(benzylcarbamoyl)-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha | Authors: | Ma, L, Zhou, X.E, Suino-Powell, K, Hou, N, Zhou, Z, Luo, J, Xu, H.E, Yi, W. | Deposit date: | 2022-07-02 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of VSP-51-2 as the Novel and Safe PPAR gamma Modulator: Structure-Based Design, Biological Validation and Crystal Analysis To Be Published
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6OGG
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![BU of 6ogg by Molmil](/molmil-images/mine/6ogg) | 70S termination complex with RF2 bound to the UGA codon. Rotated ribosome with RF2 bound (Structure IV). | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Svidritskiy, E, Demo, G, Loveland, A.B, Xu, C, Korostelev, A.A. | Deposit date: | 2019-04-02 | Release date: | 2019-09-25 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Extensive ribosome and RF2 rearrangements during translation termination. Elife, 8, 2019
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5JRR
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![BU of 5jrr by Molmil](/molmil-images/mine/5jrr) | Crystal structure of native laccase from Thermus thermophilus HB27 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, ... | Authors: | Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E. | Deposit date: | 2016-05-06 | Release date: | 2017-05-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase To be Published
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1S6P
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![BU of 1s6p by Molmil](/molmil-images/mine/1s6p) | CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R100943 | Descriptor: | 1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)-1-IMINO-ETHYL]-THIOUREA, MAGNESIUM ION, POL polyprotein [Contains: Reverse transcriptase] | Authors: | Das, K, Arnold, E. | Deposit date: | 2004-01-26 | Release date: | 2004-05-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants J.Med.Chem., 47, 2004
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6OI3
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![BU of 6oi3 by Molmil](/molmil-images/mine/6oi3) | Crystal structure of human WDR5 in complex with monomethyl H3R2 peptide | Descriptor: | GLYCEROL, Monomethyl H3R2 peptide, SULFATE ION, ... | Authors: | Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D. | Deposit date: | 2019-04-08 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5. Biochemistry, 59, 2020
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