8A1C
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5FOF
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![BU of 5fof by Molmil](/molmil-images/mine/5fof) | Crystal structure of the P.knowlesi cytosolic leucyl-tRNA synthetase editing domain | Descriptor: | LEUCYL-TRNA SYNTHETASE | Authors: | Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J. | Deposit date: | 2015-11-19 | Release date: | 2016-06-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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5LYV
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![BU of 5lyv by Molmil](/molmil-images/mine/5lyv) | The crystal structure of 7SK 5'-hairpin - Osmium derivative | Descriptor: | 7SK RNA, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Martinez-Zapien, D, Legrand, P, McEwen, A.G, Pasquali, S, Dock-Bregeon, A.-C. | Deposit date: | 2016-09-28 | Release date: | 2017-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The crystal structure of the 5 functional domain of the transcription riboregulator 7SK. Nucleic Acids Res., 45, 2017
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8TAA
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5O8Y
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![BU of 5o8y by Molmil](/molmil-images/mine/5o8y) | Conformational dynamism for DNA interaction in Salmonella typhimurium RcsB response regulator. | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, SULFATE ION, Transcriptional regulatory protein RcsB | Authors: | Casino, P, Marina, A, Miguel-Romero, L, Huesa, J. | Deposit date: | 2017-06-14 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational dynamism for DNA interaction in the Salmonella RcsB response regulator. Nucleic Acids Res., 46, 2018
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7ZZ3
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![BU of 7zz3 by Molmil](/molmil-images/mine/7zz3) | Cryo-EM structure of "BC react" conformation of Lactococcus lactis pyruvate carboxylase with acetyl-CoA | Descriptor: | ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M. | Deposit date: | 2022-05-25 | Release date: | 2022-10-12 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.41 Å) | Cite: | CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase. Nat Commun, 13, 2022
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6S5A
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![BU of 6s5a by Molmil](/molmil-images/mine/6s5a) | CRYSTAL STRUCTURE OF FC P329G LALA WITH ANTI FC P329G FAB | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc P329G LALA, ... | Authors: | Ehler, A, Darowski, D, Jost, C, Stubenrauch, K, Wessels, U, Benz, J, Birk, M, Freimoser-Grundschober, A, Bruenker, P, Moessner, E, Umana, P, Kobold, S, Klein, C. | Deposit date: | 2019-07-01 | Release date: | 2019-09-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | P329G-CAR-J: a novel Jurkat-NFAT-based CAR-T reporter system recognizing the P329G Fc mutation. Protein Eng.Des.Sel., 32, 2019
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7ZZ8
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![BU of 7zz8 by Molmil](/molmil-images/mine/7zz8) | Cryo-EM structure of Lactococcus lactis pyruvate carboxylase with acetyl-CoA and cyclic di-AMP | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M. | Deposit date: | 2022-05-25 | Release date: | 2022-10-12 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase. Nat Commun, 13, 2022
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8W8R
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![BU of 8w8r by Molmil](/molmil-images/mine/8w8r) | Cryo-EM structure of the AA-14-bound GPR101-Gs complex | Descriptor: | 1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea, 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, ... | Authors: | Sun, J.P, Yu, X, Gao, N, Yang, F, Wang, J.Y, Yang, Z, Guan, Y, Wang, G.P. | Deposit date: | 2023-09-04 | Release date: | 2024-01-03 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of GPR101-Gs enables identification of ligands with rejuvenating potential. Nat.Chem.Biol., 20, 2024
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6TK4
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![BU of 6tk4 by Molmil](/molmil-images/mine/6tk4) | Femtosecond to millisecond structural changes in a light-driven sodium pump: 1ns+16ns structure of KR2 with extrapolated, light and dark datasets | Descriptor: | EICOSANE, RETINAL, Sodium pumping rhodopsin | Authors: | Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J. | Deposit date: | 2019-11-28 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Femtosecond-to-millisecond structural changes in a light-driven sodium pump. Nature, 583, 2020
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8TEX
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![BU of 8tex by Molmil](/molmil-images/mine/8tex) | Avian Adeno-associated virus - empty capsid | Descriptor: | Capsid protein | Authors: | Hsi, J, Mietzsch, M, Chipman, P, Afione, S, Zeher, A, Huang, R, Chiorini, J, McKenna, R. | Deposit date: | 2023-07-07 | Release date: | 2023-08-30 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.54 Å) | Cite: | Structural and antigenic characterization of the avian adeno-associated virus capsid. J.Virol., 97, 2023
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6TK6
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![BU of 6tk6 by Molmil](/molmil-images/mine/6tk6) | Femtosecond to millisecond structural changes in a light-driven sodium pump: Dark structure in neutral conditions with attached light datasets at 800fs, 2ps, 100ps, 1ns, 16ns, 1us, 30us, 150us, 1ms and 20ms | Descriptor: | EICOSANE, RETINAL, Sodium pumping rhodopsin | Authors: | Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J. | Deposit date: | 2019-11-28 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Femtosecond-to-millisecond structural changes in a light-driven sodium pump. Nature, 583, 2020
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7ZYY
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![BU of 7zyy by Molmil](/molmil-images/mine/7zyy) | Cryo-EM structure of Lactococcus lactis pyruvate carboxylase with acetyl-CoA | Descriptor: | ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, BICARBONATE ION, ... | Authors: | Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M. | Deposit date: | 2022-05-25 | Release date: | 2022-10-12 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.12 Å) | Cite: | CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase. Nat Commun, 13, 2022
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6I99
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![BU of 6i99 by Molmil](/molmil-images/mine/6i99) | Bone Marrow Tyrosine Kinase in Chromosome X in complex with a newly designed covalent inhibitor JS24 | Descriptor: | Cytoplasmic tyrosine-protein kinase BMX, ~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide | Authors: | Sousa, B.B, Matias, P.M, Marques, M.C, Seixas, J.D, Bernardes, G.J.L. | Deposit date: | 2018-11-22 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural and biophysical insights into the mode of covalent binding of rationally designed potent BMX inhibitors Chem.Biol., 2020
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6TNH
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![BU of 6tnh by Molmil](/molmil-images/mine/6tnh) | Deoxyguanylosuccinate synthase (DgsS) quaternary structure with AMPPcP, dGMP, Asp, Magnesium at 2.21 Angstrom resolution | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ASPARTIC ACID, Adenylosuccinate synthetase, ... | Authors: | Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A. | Deposit date: | 2019-12-08 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | A third purine biosynthetic pathway encoded by aminoadenine-based viral DNA genomes. Science, 372, 2021
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5LYU
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![BU of 5lyu by Molmil](/molmil-images/mine/5lyu) | The native crystal structure of 7SK 5'-hairpin | Descriptor: | 7SK RNA, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Martinez-Zapien, D, Legrand, P, McEwen, A.C, Pasquali, S, Dock-Bregeon, A.-C. | Deposit date: | 2016-09-28 | Release date: | 2017-01-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of the 5 functional domain of the transcription riboregulator 7SK. Nucleic Acids Res., 45, 2017
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5J9T
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![BU of 5j9t by Molmil](/molmil-images/mine/5j9t) | Crystal structure of the NuA4 core complex | Descriptor: | Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, Enhancer of polycomb-like protein 1, ... | Authors: | Chen, Z.C, Xu, P. | Deposit date: | 2016-04-11 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism Mol.Cell, 63, 2016
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5OS4
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![BU of 5os4 by Molmil](/molmil-images/mine/5os4) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | (3~{a}~{R},5~{S},7~{a}~{S})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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5JFT
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![BU of 5jft by Molmil](/molmil-images/mine/5jft) | Zebra Fish Caspase-3 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASK, ... | Authors: | Tucker, M.B, MacKenzie, S.H, Maciag, J.J, Dirscherl, H, Swartz, P.D, Yoder, J.A, Hamilton, P.T, Clark, A.C. | Deposit date: | 2016-04-19 | Release date: | 2016-10-26 | Last modified: | 2016-11-02 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Phage display and structural studies reveal plasticity in substrate specificity of caspase-3a from zebrafish. Protein Sci., 25, 2016
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5JK4
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![BU of 5jk4 by Molmil](/molmil-images/mine/5jk4) | Phosphate-Binding Protein from Stenotrophomonas maltophilia. | Descriptor: | Alkaline phosphatase, PHOSPHATE ION | Authors: | Keegan, R, Waterman, D, Hopper, D, Coates, L, Guo, J, Coker, A.R, Erskine, P.T, Wood, S.P, Cooper, J.B. | Deposit date: | 2016-04-25 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The 1.1 angstrom resolution structure of a periplasmic phosphate-binding protein from Stenotrophomonas maltophilia: a crystallization contaminant identified by molecular replacement using the entire Protein Data Bank. Acta Crystallogr D Struct Biol, 72, 2016
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8ZOZ
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![BU of 8zoz by Molmil](/molmil-images/mine/8zoz) | Crystal structure of the complex of glyceraldehyde-3-phosphate dehydrogenase of type B from Acinetobacter baumannii with Adenosine monophosphate at 3.20 A resolution. | Descriptor: | ADENOSINE MONOPHOSPHATE, Glyceraldehyde-3-phosphate dehydrogenase, SULFATE ION | Authors: | Pahuja, P, Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P. | Deposit date: | 2024-05-29 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of the complex of glyceraldehyde-3-phosphate dehydrogenase of type B from Acinetobacter baumannii with Adenosine monophosphate at 3.20 A resolution. To Be Published
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7VY3
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![BU of 7vy3 by Molmil](/molmil-images/mine/7vy3) | STRUCTURE OF PHOTOSYNTHETIC LH1-RC SUPER-COMPLEX OF RHODOBACTER SPHAEROIDES LACKING PROTEIN-U | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Antenna pigment protein alpha chain, Antenna pigment protein beta chain, ... | Authors: | Tani, K, Kanno, R, Kawamura, S, Kikuchi, R, Nagashima, K.V.P, Hall, M, Takahashi, A, Yu, L.-J, Kimura, Y, Madigan, M.T, Mizoguchi, A, Humbel, B.M, Wang-Otomo, Z.-Y. | Deposit date: | 2021-11-13 | Release date: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (2.63 Å) | Cite: | Asymmetric structure of the native Rhodobacter sphaeroides dimeric LH1-RC complex. Nat Commun, 13, 2022
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6RWL
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![BU of 6rwl by Molmil](/molmil-images/mine/6rwl) | SIVrcm intasome | Descriptor: | DNA (5'-D(*AP*AP*CP*TP*GP*GP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*TP*CP*TP*TP*AP*GP*C)-3'), DNA (5'-D(P*GP*CP*TP*AP*AP*GP*AP*AP*AP*AP*AP*TP*CP*TP*CP*TP*AP*CP*CP*A)-3'), Pol protein, ... | Authors: | Cherepanov, P, Nans, A, Cook, N. | Deposit date: | 2019-06-05 | Release date: | 2020-02-05 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Structural basis of second-generation HIV integrase inhibitor action and viral resistance. Science, 367, 2020
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6DML
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![BU of 6dml by Molmil](/molmil-images/mine/6dml) | A multiconformer ligand model of 3,5 dimethylisoxaxole bound to the bromodomain of human BRD4 | Descriptor: | 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, Bromodomain-containing protein 4 | Authors: | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | Deposit date: | 2018-06-05 | Release date: | 2018-12-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
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8K71
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![BU of 8k71 by Molmil](/molmil-images/mine/8k71) | Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((2-((naphthalen-2-ylmethyl)sulfonyl)acetyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid | Descriptor: | 2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | Authors: | Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J. | Deposit date: | 2023-07-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha. Chem Sci, 14, 2023
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