8G7G
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![BU of 8g7g by Molmil](/molmil-images/mine/8g7g) | Crystal Structure of FosB from Bacillus cereus with Zinc and (1-hydroxy-2-methylpropyl)phosphonic acid | Descriptor: | FORMIC ACID, MAGNESIUM ION, Metallothiol transferase FosB, ... | Authors: | Travis, S, Pang, A.H, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K. | Deposit date: | 2023-02-16 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus. Rsc Med Chem, 14, 2023
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5MGD
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![BU of 5mgd by Molmil](/molmil-images/mine/5mgd) | STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 6-Galactosyl-lactose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J. | Deposit date: | 2016-11-21 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J., 284, 2017
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6YJW
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![BU of 6yjw by Molmil](/molmil-images/mine/6yjw) | Structure of Fragaria ananassa O-methyltransferase crystallized with PAS polypeptide | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, O-methyltransferase, ... | Authors: | Schiefner, A, Skerra, A. | Deposit date: | 2020-04-05 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Proline/alanine-rich sequence (PAS) polypeptides as an alternative to PEG precipitants for protein crystallization. Acta Crystallogr.,Sect.F, 76, 2020
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6Q05
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![BU of 6q05 by Molmil](/molmil-images/mine/6q05) | MERS-CoV S structure in complex with sialyl-lewisX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, ... | Authors: | Park, Y.J, Walls, A.C, Wang, Z, Sauer, M, Li, W, Tortorici, M.A, Bosch, B.J, DiMaio, F.D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2019-08-01 | Release date: | 2019-12-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors. Nat.Struct.Mol.Biol., 26, 2019
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8G7H
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![BU of 8g7h by Molmil](/molmil-images/mine/8g7h) | Crystal Structure of FosB from Bacillus cereus with Zinc and (1-hydroxypropan-2-yl)phosphonic acid | Descriptor: | FORMIC ACID, GLYCEROL, MAGNESIUM ION, ... | Authors: | Travis, S, Pang, A.H, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K. | Deposit date: | 2023-02-16 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus. Rsc Med Chem, 14, 2023
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8G7I
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![BU of 8g7i by Molmil](/molmil-images/mine/8g7i) | Crystal Structure of FosB from Bacillus cereus with Zinc and Sulfate | Descriptor: | FORMIC ACID, GLYCEROL, MAGNESIUM ION, ... | Authors: | Travis, S, Pang, A.H, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K. | Deposit date: | 2023-02-16 | Release date: | 2023-06-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus. Rsc Med Chem, 14, 2023
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8T55
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![BU of 8t55 by Molmil](/molmil-images/mine/8t55) | Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654 | Descriptor: | 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91 | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-06-12 | Release date: | 2023-07-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
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7TN9
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![BU of 7tn9 by Molmil](/molmil-images/mine/7tn9) | Structure of the Inmazeb cocktail and resistance to escape against Ebola virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, GP2, ... | Authors: | Rayaprolu, V, Fulton, B, Rafique, A, Arturo, E, Williams, D, Hariharan, C, Callaway, H, Parvate, A, Schendel, S.L, Parekh, D, Hui, S, Shaffer, K, Pascal, K.E, Wloga, E, Giordano, S, Copin, R, Franklin, M, Boytz, R.M, Donahue, C, Davey, R, Baum, A, Kyratsous, C.A, Saphire, E.O. | Deposit date: | 2022-01-20 | Release date: | 2023-01-25 | Last modified: | 2023-02-22 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure of the Inmazeb cocktail and resistance to Ebola virus escape. Cell Host Microbe, 31, 2023
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6Q35
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![BU of 6q35 by Molmil](/molmil-images/mine/6q35) | Crystal structure of GES-5 beta-lactamase in complex with boronic inhibitor cpd 3 | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, DIMETHYL SULFOXIDE, ... | Authors: | Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L. | Deposit date: | 2018-12-03 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors. Acs Med.Chem.Lett., 10, 2019
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6Q3D
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![BU of 6q3d by Molmil](/molmil-images/mine/6q3d) | Dye type peroxidase Aa from Streptomyces lividans: 235.2 kGy structure | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | Deposit date: | 2018-12-04 | Release date: | 2019-07-31 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins. Iucrj, 6, 2019
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8THV
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![BU of 8thv by Molmil](/molmil-images/mine/8thv) | FARFAR-NMR ensemble of HIV-1 TAR with apical loop capturing ground and excited conformational states | Descriptor: | RNA (29-MER) | Authors: | Roy, R, Geng, A, Shi, H, Merriman, D.K, Dethoff, E.A, Salmon, L, Al-Hashimi, H.M. | Deposit date: | 2023-07-18 | Release date: | 2023-08-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Kinetic Resolution of the Atomic 3D Structures Formed by Ground and Excited Conformational States in an RNA Dynamic Ensemble. J.Am.Chem.Soc., 145, 2023
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7OXO
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![BU of 7oxo by Molmil](/molmil-images/mine/7oxo) | human LonP1, R-state, incubated in AMPPCP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | Authors: | Abrahams, J.P, Mohammed, I, Schmitz, K.A, Schenck, N, Maier, T. | Deposit date: | 2021-06-22 | Release date: | 2021-12-22 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Catalytic cycling of human mitochondrial Lon protease. Structure, 30, 2022
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6ZBN
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![BU of 6zbn by Molmil](/molmil-images/mine/6zbn) | HIF Prolyl Hydroxylase 2 (PHD2/EGLN1) in complex with tert-butyl 6-(5-hydroxy-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-1-yl)nicotinate (IOX4) | Descriptor: | Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Figg Jr, W.D, McDonough, M.A, Nakashima, Y, Schofield, C.J. | Deposit date: | 2020-06-08 | Release date: | 2021-04-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural Basis of Prolyl Hydroxylase Domain Inhibition by Molidustat. Chemmedchem, 16, 2021
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7Q65
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![BU of 7q65 by Molmil](/molmil-images/mine/7q65) | Cryo-em structure of the Nup98 fibril polymorph 2 | Descriptor: | Nuclear pore complex protein Nup98 | Authors: | Ibanez de Opakua, A, Geraets, J.A, Frieg, B, Dienemann, C, Savastano, A, Rankovic, M, Cima-Omori, M.-S, Schroeder, G.F, Zweckstetter, M. | Deposit date: | 2021-11-05 | Release date: | 2022-10-12 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Molecular interactions of FG nucleoporin repeats at high resolution. Nat.Chem., 14, 2022
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7Q67
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![BU of 7q67 by Molmil](/molmil-images/mine/7q67) | Cryo-em structure of the Nup98 fibril polymorph 4 | Descriptor: | Nuclear pore complex protein Nup98 | Authors: | Ibanez de Opakua, A, Geraets, J.A, Frieg, B, Dienemann, C, Savastano, A, Rankovic, M, Cima-Omori, M.-S, Schroeder, G.F, Zweckstetter, M. | Deposit date: | 2021-11-05 | Release date: | 2022-10-12 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Molecular interactions of FG nucleoporin repeats at high resolution. Nat.Chem., 14, 2022
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6Q71
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![BU of 6q71 by Molmil](/molmil-images/mine/6q71) | Crystal structure of the alanine racemase Bsu17640 from Bacillus subtilis in the presence of Bis-Tris propane | Descriptor: | Alanine racemase 2, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Bernardo-Garcia, N, Gago, F, Hermoso, J.A. | Deposit date: | 2018-12-12 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase. Org.Biomol.Chem., 17, 2019
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8OLL
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![BU of 8oll by Molmil](/molmil-images/mine/8oll) | Staphylococcus aureus ClpP in complex with the natural product beta-lactone inhibitor Cystargolide A at 2.7 A resolution | Descriptor: | ATP-dependent Clp protease proteolytic subunit, Cystargolide A (bound) | Authors: | Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H. | Deposit date: | 2023-03-30 | Release date: | 2023-12-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A. Angew.Chem.Int.Ed.Engl., 63, 2024
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7QD8
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![BU of 7qd8 by Molmil](/molmil-images/mine/7qd8) | Cryo-EM structure of Tn4430 TnpA transposase from Tn3 family in apo state | Descriptor: | Transposase for transposon Tn4430 | Authors: | Shkumatov, A.V, Oger, C.A, Aryanpour, N, Hallet, B.F, Efremov, R.G. | Deposit date: | 2021-11-26 | Release date: | 2022-10-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural insight into Tn3 family transposition mechanism. Nat Commun, 13, 2022
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7QD4
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![BU of 7qd4 by Molmil](/molmil-images/mine/7qd4) | Cryo-EM structure of Tn4430 TnpA transposase from Tn3 family in complex with 100 bp long transposon end DNA | Descriptor: | IR100 DNA substrate, none transferred strand, transferred strand, ... | Authors: | Shkumatov, A.V, Oger, C.A, Aryanpour, N, Hallet, B.F, Efremov, R.G. | Deposit date: | 2021-11-26 | Release date: | 2022-10-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural insight into Tn3 family transposition mechanism. Nat Commun, 13, 2022
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6W1Q
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![BU of 6w1q by Molmil](/molmil-images/mine/6w1q) | RT XFEL structure of Photosystem II 50 microseconds after the second illumination at 2.27 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2020-03-04 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism. Proc.Natl.Acad.Sci.USA, 117, 2020
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5MRM
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![BU of 5mrm by Molmil](/molmil-images/mine/5mrm) | Arabidopsis thaliana IspD in complex with Isoxazole (4) | Descriptor: | 2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, ... | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | Deposit date: | 2016-12-23 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands. ACS Chem. Biol., 12, 2017
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6YXC
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![BU of 6yxc by Molmil](/molmil-images/mine/6yxc) | Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148R variant | Descriptor: | FLAVIN MONONUCLEOTIDE, Multi-sensor hybrid histidine kinase, SODIUM ION | Authors: | Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I. | Deposit date: | 2020-04-30 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Insights into the mechanisms of light-oxygen-voltage domain color tuning from a set of high-resolution X-ray structures. Proteins, 2021
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6NQW
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![BU of 6nqw by Molmil](/molmil-images/mine/6nqw) | Flagellar protein FcpA from Leptospira biflexa - hexagonal form | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Flagellar coiling protein A, GLYCEROL, ... | Authors: | San Martin, F, Trajtenberg, F, Larrieux, N, Buschiazzo, A. | Deposit date: | 2019-01-22 | Release date: | 2020-01-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An asymmetric sheath controls flagellar supercoiling and motility in the Leptospira spirochete Elife, 9, 2020
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8OLR
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![BU of 8olr by Molmil](/molmil-images/mine/8olr) | Structure of yeast 20S proteasome in complex with the natural product beta-lactone inhibitor Cystargolide A | Descriptor: | CHLORIDE ION, Cystargolide A (bound), MAGNESIUM ION, ... | Authors: | Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H. | Deposit date: | 2023-03-30 | Release date: | 2023-12-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A. Angew.Chem.Int.Ed.Engl., 63, 2024
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6YWQ
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![BU of 6ywq by Molmil](/molmil-images/mine/6ywq) | Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148H variant | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase | Authors: | Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I. | Deposit date: | 2020-04-30 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Insights into the mechanisms of light-oxygen-voltage domain color tuning from a set of high-resolution X-ray structures. Proteins, 2021
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