8DRB
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![BU of 8drb by Molmil](/molmil-images/mine/8drb) | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide | Descriptor: | 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase, SULFATE ION, ... | Authors: | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | Deposit date: | 2022-07-20 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase. Acs Med.Chem.Lett., 14, 2023
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7Q9C
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![BU of 7q9c by Molmil](/molmil-images/mine/7q9c) | Peptide RLSAKP in complex with human cathepsin V C25A mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-11-12 | Release date: | 2022-11-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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3ZBI
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![BU of 3zbi by Molmil](/molmil-images/mine/3zbi) | Fitting result in the O-layer of the subnanometer structure of the bacterial pKM101 type IV secretion system core complex digested with elastase | Descriptor: | TRAF PROTEIN, TRAN PROTEIN, TRAO PROTEIN | Authors: | Rivera-Calzada, A, Fronzes, R, Savva, C.G, Chandran, V, Lian, P.W, Laeremans, T, Pardon, E, Steyaert, J, Remaut, H, Waksman, G, Orlova, E.V. | Deposit date: | 2012-11-10 | Release date: | 2013-04-03 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8.5 Å) | Cite: | Structure of a Bacterial Type Iv Secretion Core Complex at Subnanometre Resolution. Embo J., 32, 2013
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1FYD
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![BU of 1fyd by Molmil](/molmil-images/mine/1fyd) | CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS COMPLEXED WITH ONE MOLECULE AMP, ONE PYROPHOSPHATE ION AND ONE MG2+ ION | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, NH(3)-DEPENDENT NAD(+) SYNTHETASE, ... | Authors: | Devedjiev, Y, Symersky, J, Singh, R, Brouillette, W, Muccio, D, Jedrzejas, M, Brouillette, C, DeLucas, L. | Deposit date: | 2000-09-28 | Release date: | 2001-06-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis. Acta Crystallogr.,Sect.D, 57, 2001
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1FU0
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![BU of 1fu0 by Molmil](/molmil-images/mine/1fu0) | CRYSTAL STRUCTURE ANALYSIS OF THE PHOSPHO-SERINE 46 HPR FROM ENTEROCOCCUS FAECALIS | Descriptor: | PHOSPHOCARRIER PROTEIN HPR | Authors: | Audette, G.F, Engelmann, R, Hengstenberg, W, Deutscher, J, Hayakawa, K, Quail, J.W, Delbaere, L.T.J. | Deposit date: | 2000-09-13 | Release date: | 2000-11-22 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The 1.9 A resolution structure of phospho-serine 46 HPr from Enterococcus faecalis. J.Mol.Biol., 303, 2000
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3ZE6
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![BU of 3ze6 by Molmil](/molmil-images/mine/3ze6) | 3D structure of the Ni-Fe-Se hydrogenase from D. vulgaris Hildenborough in the as-isolated oxidized state at 1.50 Angstroms | Descriptor: | 3-[DODECYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, BIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS(MU-2--SULFIDO)-TRIS(CYS-S)-TRI-IRON] (AQUA)(GLU-O)IRON(II), CARBONMONOXIDE-(DICYANO) IRON, ... | Authors: | Marques, M.C, Coelho, R, Pereira, I.A.C, Matias, P.M. | Deposit date: | 2012-12-03 | Release date: | 2013-06-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Redox State-Dependent Changes in the Crystal Structure of [Nifese] Hydrogenase from Desulfovibrio Vulgaris Hildenborough Int.J.Hydrogen Energy, 2013
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1FYV
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![BU of 1fyv by Molmil](/molmil-images/mine/1fyv) | CRYSTAL STRUCTURE OF THE TIR DOMAIN OF HUMAN TLR1 | Descriptor: | TOLL-LIKE RECEPTOR 1 | Authors: | Xu, Y, Tao, X, Shen, B, Horng, T, Medzhitov, R, Manley, J.L, Tong, L. | Deposit date: | 2000-10-03 | Release date: | 2000-11-22 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for signal transduction by the Toll/interleukin-1 receptor domains. Nature, 408, 2000
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7TZ6
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![BU of 7tz6 by Molmil](/molmil-images/mine/7tz6) | Structure of mitochondrial bc1 in complex with ck-2-68 | Descriptor: | 7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one, Cytochrome b, Cytochrome b-c1 complex subunit 1, ... | Authors: | Xia, D, Esser, L, Zhou, F, Huang, R. | Deposit date: | 2022-02-15 | Release date: | 2023-02-22 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Structure of complex III with bound antimalarial agent CK-2-68 provides insights into selective inhibition of Plasmodium cytochrome bc 1 complexes. J.Biol.Chem., 299, 2023
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6PJC
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![BU of 6pjc by Molmil](/molmil-images/mine/6pjc) | HIV-1 Protease NL4-3 WT in Complex with LR4-41 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-06-28 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.965 Å) | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
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8DWB
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![BU of 8dwb by Molmil](/molmil-images/mine/8dwb) | |
8DPC
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![BU of 8dpc by Molmil](/molmil-images/mine/8dpc) | Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae | Descriptor: | Carbonic anhydrase, SULFATE ION, ZINC ION | Authors: | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | Deposit date: | 2022-07-15 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase. Acs Med.Chem.Lett., 14, 2023
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7Q8Q
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![BU of 7q8q by Molmil](/molmil-images/mine/7q8q) | Peptide RLSAKP in complex with human cathepsin V C25S mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-11-11 | Release date: | 2022-11-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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7Q8M
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![BU of 7q8m by Molmil](/molmil-images/mine/7q8m) | Peptide KPKKKTK in complex with human cathepsin V C25A mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cathepsin L2, GLYCEROL, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-11-11 | Release date: | 2022-11-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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7Q8P
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![BU of 7q8p by Molmil](/molmil-images/mine/7q8p) | Peptide LLKVAL in complex with human cathepsin V C25S mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-11-11 | Release date: | 2022-11-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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7Q9W
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![BU of 7q9w by Molmil](/molmil-images/mine/7q9w) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 4-(aminomethyl)pyridin-2-amine | Descriptor: | 4-(aminomethyl)pyridin-2-amine, Cholinephosphate cytidylyltransferase, Guanidinium | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-11-15 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors. To Be Published
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8PUW
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![BU of 8puw by Molmil](/molmil-images/mine/8puw) | Chaetomium thermophilum Las1-Grc3-complex | Descriptor: | Las1, Polynucleotide 5'-hydroxyl-kinase GRC3 | Authors: | Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R. | Deposit date: | 2023-07-17 | Release date: | 2023-11-15 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation. Embo Rep., 24, 2023
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7QA7
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![BU of 7qa7 by Molmil](/molmil-images/mine/7qa7) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with Cyclopropanemethylamine | Descriptor: | Cholinephosphate cytidylyltransferase, cyclopropylmethanamine | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-11-16 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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8PV7
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![BU of 8pv7 by Molmil](/molmil-images/mine/8pv7) | Chaetomium thermophilum pre-60S State 1 - pre-5S rotation (Arx1/Nog2 state) - Composite structure | Descriptor: | 26S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R. | Deposit date: | 2023-07-17 | Release date: | 2023-11-15 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.12 Å) | Cite: | Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation. Embo Rep., 24, 2023
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8PV4
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![BU of 8pv4 by Molmil](/molmil-images/mine/8pv4) | Chaetomium thermophilum pre-60S State 2 - pre-5S rotation with Rix1 complex - composite structure | Descriptor: | 26S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R. | Deposit date: | 2023-07-17 | Release date: | 2023-11-15 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation. Embo Rep., 24, 2023
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8PV2
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![BU of 8pv2 by Molmil](/molmil-images/mine/8pv2) | Chaetomium thermophilum pre-60S State 10 - pre-5S rotation with Ytm1-Erb1 | Descriptor: | 26S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R. | Deposit date: | 2023-07-17 | Release date: | 2023-11-15 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.63 Å) | Cite: | Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation. Embo Rep., 24, 2023
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7Q9V
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![BU of 7q9v by Molmil](/molmil-images/mine/7q9v) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 1-(1,3-oxazol-4-yl)methanamine | Descriptor: | 1,3-oxazol-4-ylmethanamine, Cholinephosphate cytidylyltransferase, Guanidinium | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-11-15 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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4WVD
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![BU of 4wvd by Molmil](/molmil-images/mine/4wvd) | Identification of a novel FXR ligand that regulates metabolism | Descriptor: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Bile acid receptor, FORMIC ACID, ... | Authors: | Wang, R, Li, Y. | Deposit date: | 2014-11-05 | Release date: | 2015-02-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The antiparasitic drug ivermectin is a novel FXR ligand that regulates metabolism. Nat Commun, 4, 2013
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8PV6
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![BU of 8pv6 by Molmil](/molmil-images/mine/8pv6) | Chaetomium thermophilum pre-60S State 3 - post-5S rotation with Rix1 complex with Foot - composite structure | Descriptor: | 26S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R. | Deposit date: | 2023-07-17 | Release date: | 2023-11-15 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation. Embo Rep., 24, 2023
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4X8F
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![BU of 4x8f by Molmil](/molmil-images/mine/4x8f) | Vibrio cholerae O395 Ribokinase in apo form | Descriptor: | Ribokinase | Authors: | Paul, R, Patra, M.D, Sen, U. | Deposit date: | 2014-12-10 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Crystal Structure of Apo and Ligand
Bound Vibrio choleraeRibokinase (Vc-RK):
Role of Monovalent Cation Induced Activation
and Structural Flexibility in Sugar
Phosphorylation Adv Exp Med Biol., 842, 2015
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8PV3
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![BU of 8pv3 by Molmil](/molmil-images/mine/8pv3) | Chaetomium thermophilum pre-60S State 9 - pre-5S rotation - immature H68/H69 - composite structure | Descriptor: | 26S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R. | Deposit date: | 2023-07-17 | Release date: | 2023-11-15 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation. Embo Rep., 24, 2023
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