8DQF
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![BU of 8dqf by Molmil](/molmil-images/mine/8dqf) | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide | Descriptor: | Carbonic anhydrase, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide, SULFATE ION, ... | Authors: | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | Deposit date: | 2022-07-19 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase. Acs Med.Chem.Lett., 14, 2023
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1GI2
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![BU of 1gi2 by Molmil](/molmil-images/mine/1gi2) | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | Descriptor: | 2-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | Deposit date: | 2001-01-22 | Release date: | 2002-01-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site. J.Mol.Biol., 307, 2001
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7TJF
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![BU of 7tjf by Molmil](/molmil-images/mine/7tjf) | S. cerevisiae ORC bound to 84 bp ARS1 DNA | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA, 84 bp ARS1, ... | Authors: | Schmidt, J.M, Yang, R, Kumar, A, Hunker, O, Bleichert, F. | Deposit date: | 2022-01-16 | Release date: | 2023-01-18 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6. Nat Commun, 13, 2022
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3ZE8
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![BU of 3ze8 by Molmil](/molmil-images/mine/3ze8) | 3D structure of the Ni-Fe-Se hydrogenase from D. vulgaris Hildenborough in the reduced state at 1.95 Angstroms | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ... | 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 (1.801 Å) | Cite: | Redox State-Dependent Changes in the Crystal Structure of [Nifese] Hydrogenase from Desulfovibrio Vulgaris Hildenborough Int.J.Hydrogen Energy, 38, 2013
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8SMD
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![BU of 8smd by Molmil](/molmil-images/mine/8smd) | Structure of Clostridium botulinum prophage Tad1 in complex with 1''-3' gcADPR | Descriptor: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, ABC transporter ATPase | Authors: | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | Deposit date: | 2023-04-26 | Release date: | 2023-11-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phages overcome bacterial immunity via diverse anti-defence proteins. Nature, 625, 2024
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4YR6
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![BU of 4yr6 by Molmil](/molmil-images/mine/4yr6) | Fab fragment of 5G6 in complex with epitope peptide | Descriptor: | ACE-LYS-LEU-ARG-GLY-VAL-LEU-GLN-GLY-HIS-LEU, GLYCEROL, heavy chain of 5G6, ... | Authors: | Tao, Y, Mo, X, Li, R. | Deposit date: | 2015-03-14 | Release date: | 2016-03-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structural basis for the specific inhibition of glycoprotein Ib alpha shedding by an inhibitory antibody. Sci Rep, 6, 2016
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7Q8O
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![BU of 7q8o by Molmil](/molmil-images/mine/7q8o) | Peptide LLSGKE 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 (1.9 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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7Q8H
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![BU of 7q8h by Molmil](/molmil-images/mine/7q8h) | Peptide EVCKKKK in complex with human cathepsin V C25A 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 (1.75 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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8SMF
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![BU of 8smf by Molmil](/molmil-images/mine/8smf) | Structure of SPO1 phage Tad2 in complex with 1''-3' gcADPR | Descriptor: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, Gp34.65, MAGNESIUM ION | Authors: | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | Deposit date: | 2023-04-26 | Release date: | 2023-11-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Phages overcome bacterial immunity via diverse anti-defence proteins. Nature, 625, 2024
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7TI3
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![BU of 7ti3 by Molmil](/molmil-images/mine/7ti3) | [T:Hg2+:T--pH 11] Metal-mediated DNA base pair in tensegrity triangle | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2022-01-12 | Release date: | 2023-02-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (4.79 Å) | Cite: | Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals. J.Am.Chem.Soc., 145, 2023
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1GM0
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![BU of 1gm0 by Molmil](/molmil-images/mine/1gm0) | A Form of the Pheromone-Binding Protein from Bombyx mori | Descriptor: | PHEROMONE-BINDING PROTEIN | Authors: | Horst, R, Damberger, F, Guntert, P, Luginbuhl, P, Nikonova, L, Peng, G, Leal, W.S, Wuthrich, K. | Deposit date: | 2001-09-05 | Release date: | 2001-11-30 | Last modified: | 2018-01-17 | Method: | SOLUTION NMR | Cite: | NMR Structure Reveals Novel Intramolecular Regulation Mechanism for Pheromone-Binding and Release Proc.Natl.Acad.Sci.USA, 98, 2001
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7Q9H
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![BU of 7q9h by Molmil](/molmil-images/mine/7q9h) | Peptide LLKAVAEKQ in complex with human cathepsin V C25A 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: | 2021-11-12 | 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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1GNL
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![BU of 1gnl by Molmil](/molmil-images/mine/1gnl) | Hybrid Cluster Protein from Desulfovibrio desulfuricans X-ray structure at 1.25A resolution using synchrotron radiation at a wavelength of 0.933A | Descriptor: | ACETATE ION, HYBRID CLUSTER PROTEIN, IRON/SULFUR CLUSTER, ... | Authors: | Macedo, S, Mitchell, E.P, Romao, C.V, Cooper, S.J, Coelho, R, Liu, M.Y, Xavier, A.V, Legall, J, Bailey, S, Garner, D.C, Hagen, W.R, Teixeira, M, Carrondo, M.A, Lindley, P. | Deposit date: | 2001-10-05 | Release date: | 2002-04-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Hybrid Cluster Proteins (Hcps) from Desulfovibrio Desulfuricans Atcc 27774 and Desulfovibrio Vulgaris (Hildenborough): X-Ray Structures at 1.25 A Resolution Using Synchrotron Radiation. J.Biol.Inorg.Chem., 7, 2002
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7TOD
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![BU of 7tod by Molmil](/molmil-images/mine/7tod) | Solution structure of the phosphatidylinositol 3-phosphate binding domain from the Legionella effector SetA | Descriptor: | Subversion of eukaryotic traffic protein A | Authors: | Beck, W.H.J, Enoki, T.A, Feigenson, G.W, Nicholson, L, Oswald, R, Mao, Y. | Deposit date: | 2022-01-24 | Release date: | 2023-02-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of the phosphatidylinositol 3-phosphate binding domain from the Legionella effector SetA To Be Published
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7Q8D
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![BU of 7q8d by Molmil](/molmil-images/mine/7q8d) | Peptide TRESEDLE in complex with human cathepsin V C25A mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ASP-LEU-GLU(AMI), CHLORIDE ION, ... | 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 (1.8 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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7Q8G
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![BU of 7q8g by Molmil](/molmil-images/mine/7q8g) | Peptide ALAASS in complex with human cathepsin V C25S mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ALAASS Peptide, CHLORIDE ION, ... | 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 (2.06 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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8DYQ
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![BU of 8dyq by Molmil](/molmil-images/mine/8dyq) | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, SULFATE ION, ... | Authors: | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | Deposit date: | 2022-08-04 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase. Acs Med.Chem.Lett., 14, 2023
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7Q8J
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![BU of 7q8j by Molmil](/molmil-images/mine/7q8j) | Peptide IILKEK in complex with human cathepsin V C25S mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cathepsin L2, EYS Peptide, ... | 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 (1.64 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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8DR2
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![BU of 8dr2 by Molmil](/molmil-images/mine/8dr2) | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide | Descriptor: | 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide, 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 (2.81 Å) | Cite: | Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase. Acs Med.Chem.Lett., 14, 2023
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7Q8K
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![BU of 7q8k by Molmil](/molmil-images/mine/7q8k) | 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 (1.74 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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1GHE
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![BU of 1ghe by Molmil](/molmil-images/mine/1ghe) | CRYSTAL STRUCTURE OF TABTOXIN RESISTANCE PROTEIN COMPLEXED WITH AN ACYL COENZYME A | Descriptor: | ACETYL COENZYME *A, ACETYLTRANSFERASE | Authors: | He, H, Ding, Y, Bartlam, M, Sun, F, Le, Y, Qin, X, Tang, H, Zhang, R, Joachimiak, A, Liu, Y, Zhao, N, Rao, Z. | Deposit date: | 2000-12-13 | Release date: | 2003-01-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal Structure of Tabtoxin Resistance Protein Complexed with Acetyl
Coenzyme A Reveals the Mechanism for beta-Lactam Acetylation J.Mol.Biol., 325, 2003
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1FXK
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![BU of 1fxk by Molmil](/molmil-images/mine/1fxk) | |
7Q8L
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![BU of 7q8l by Molmil](/molmil-images/mine/7q8l) | Peptide VPCGTAHE in complex with human cathepsin V C25A 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 (1.8 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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7Q8N
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![BU of 7q8n by Molmil](/molmil-images/mine/7q8n) | Peptide KKYDAFLA in complex with human cathepsin V C25A 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 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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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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