1E0H
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![BU of 1e0h by Molmil](/molmil-images/mine/1e0h) | Inhibitor Protein Im9 bound to its partner E9 DNase | Descriptor: | IMMUNITY PROTEIN FOR COLICIN E9 | Authors: | Boetzel, R, Czisch, M, Kaptein, R, Hemmings, A.M, James, R, Kleanthous, C, Moore, G.R. | Deposit date: | 2000-03-28 | Release date: | 2000-10-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR investigation of the interaction of the inhibitor protein Im9 with its partner DNase. Protein Sci., 9, 2000
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4ZEQ
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![BU of 4zeq by Molmil](/molmil-images/mine/4zeq) | Crystal Structure of human BFL-1 in complex with tBid BH3 peptide, Northeast Structural Genomics Consortium Target HX9247 | Descriptor: | BH3-interacting domain death agonist, Bcl-2-related protein A1 | Authors: | Guan, R, Xiao, R, Mao, L, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2015-04-20 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of human BFL-1 in complex with tBid BH3 peptide To Be Published
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4HWY
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![BU of 4hwy by Molmil](/molmil-images/mine/4hwy) | Trypanosoma brucei procathepsin B solved from 40 fs free-electron laser pulse data by serial femtosecond X-ray crystallography | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Redecke, L, Nass, K, DePonte, D.P, White, T.A, Rehders, D, Barty, A, Stellato, F, Liang, M, Barends, T.R.M, Boutet, S, Williams, G.W, Messerschmidt, M, Seibert, M.M, Aquila, A, Arnlund, D, Bajt, S, Barth, T, Bogan, M.J, Caleman, C, Chao, T.-C, Doak, R.B, Fleckenstein, H, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Johansson, L.C, Kassemeyer, S, Katona, G, Kirian, R.A, Koopmann, R, Kupitz, C, Lomb, L, Martin, A.V, Mogk, S, Neutze, R, Shoemann, R.L, Steinbrener, J, Timneanu, N, Wang, D, Weierstall, U, Zatsepin, N.A, Spence, J.C.H, Fromme, P, Schlichting, I, Duszenko, M, Betzel, C, Chapman, H. | Deposit date: | 2012-11-09 | Release date: | 2012-12-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Natively inhibited Trypanosoma brucei cathepsin B structure determined by using an X-ray laser. Science, 339, 2013
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7POG
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![BU of 7pog by Molmil](/molmil-images/mine/7pog) | High-resolution structure of native toxin A from Clostridioides difficile | Descriptor: | Toxin A, ZINC ION | Authors: | Boesen, T, Joergensen, R, Aminzadeh, A, Engelbrecht Larsen, C. | Deposit date: | 2021-09-08 | Release date: | 2021-12-08 | Last modified: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | High-resolution structure of native toxin A from Clostridioides difficile. Embo Rep., 23, 2022
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5A3B
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![BU of 5a3b by Molmil](/molmil-images/mine/5a3b) | Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes in complex with ADP-ribose | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, ALANINE, ... | Authors: | Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I. | Deposit date: | 2015-05-28 | Release date: | 2015-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens. Mol.Cell, 59, 2015
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5A3A
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![BU of 5a3a by Molmil](/molmil-images/mine/5a3a) | Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes (Apo form) | Descriptor: | 1,2-ETHANEDIOL, GLYCINE, SIR2 FAMILY PROTEIN, ... | Authors: | Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I. | Deposit date: | 2015-05-28 | Release date: | 2015-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens. Mol.Cell, 59, 2015
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5AD2
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![BU of 5ad2 by Molmil](/molmil-images/mine/5ad2) | Bivalent binding to BET bromodomains | Descriptor: | (3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | Deposit date: | 2015-08-19 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Potent and Selective Bivalent Inhibitors of Bet Bromodomains Nat.Chem.Biol., 12, 2016
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4XJO
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![BU of 4xjo by Molmil](/molmil-images/mine/4xjo) | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead | Descriptor: | 1,2-ETHANEDIOL, 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-inden-1-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | Authors: | Finzel, B.C, Dai, R. | Deposit date: | 2015-01-08 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis. J. Med. Chem., 60, 2017
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1X9Y
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![BU of 1x9y by Molmil](/molmil-images/mine/1x9y) | The prostaphopain B structure | Descriptor: | cysteine proteinase | Authors: | Filipek, R, Szczepanowski, R, Sabat, A, Potempa, J, Bochtler, M. | Deposit date: | 2004-08-24 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Prostaphopain B structure: a comparison of proregion-mediated and staphostatin-mediated protease inhibition. Biochemistry, 43, 2004
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7ZJP
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![BU of 7zjp by Molmil](/molmil-images/mine/7zjp) | Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 | Descriptor: | 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid, SULFATE ION, Transcriptional enhancer factor TEF-1 | Authors: | Freire, F, Heinrich, T, Petersson, C, Schneider, R, Garg, S, Schwarz, D, Gunera, J, Seshire, A, Koetzner, L, Schlesiger, S, Musil, D, Schilke, H, Doerfel, B, Diehl, P, Boepple, P, Lemos, A.R, Sousa, P.M.F, Freire, F, Bandeiras, T.M, Carswell, E, Pearson, N, Sirohi, S, Hooker, M, Trivier, E, Broome, R, Balsiger, A, Crowden, A, Dillon, C, Wienke, D. | Deposit date: | 2022-04-11 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 . J.Med.Chem., 65, 2022
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7ZW0
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![BU of 7zw0 by Molmil](/molmil-images/mine/7zw0) | FAP-80S Complex - Rotated state | Descriptor: | 18S ribosomal RNA (RDN18-1), 25S ribosomal RNA (RDN25-1), 40S ribosomal protein S0-A, ... | Authors: | Ikeuchi, K, Buschauer, R, Berninghausen, O, Becker, T, Beckmann, R. | Deposit date: | 2022-05-17 | Release date: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Sensing of individual stalled 80S ribosomes by Fap1 for nonfunctional rRNA turnover. Mol.Cell, 82, 2022
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5BX5
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![BU of 5bx5 by Molmil](/molmil-images/mine/5bx5) | Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with glucose | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Hua, Y, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | Deposit date: | 2015-06-08 | Release date: | 2016-05-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2) Acs Chem.Biol., 11, 2016
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7ZGO
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![BU of 7zgo by Molmil](/molmil-images/mine/7zgo) | Cryo-EM structure of human NKCC1 (TM domain) | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHLORIDE ION, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Nissen, P, Fenton, R, Neumann, C, Lindtoft Rosenbaek, L, Kock Flygaard, R, Habeck, M, Lykkegaard Karlsen, J, Wang, Y, Lindorff-Larsen, K, Gad, H, Hartmann, R, Lyons, J. | Deposit date: | 2022-04-04 | Release date: | 2022-10-05 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2.55 Å) | Cite: | Cryo-EM structure of the human NKCC1 transporter reveals mechanisms of ion coupling and specificity. Embo J., 41, 2022
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6YOA
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![BU of 6yoa by Molmil](/molmil-images/mine/6yoa) | Lig v 1 structure and the inflammatory response to the Ole e 1 protein family | Descriptor: | Major pollen allergen Lig v 1, NICKEL (II) ION | Authors: | Robledo-Retana, T, Bradley-Clark, J, Croll, T, Rose, R, Stagg, A, Villalba, M, Pickersgill, R. | Deposit date: | 2020-04-14 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Lig v 1 structure and the inflammatory response to the Ole e 1 protein family. Allergy, 75, 2020
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5BX4
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![BU of 5bx4 by Molmil](/molmil-images/mine/5bx4) | Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with Glucoimidazole | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLUCOIMIDAZOLE, ... | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tankrathok, A, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | Deposit date: | 2015-06-08 | Release date: | 2016-05-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2) Acs Chem.Biol., 11, 2016
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5BX2
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![BU of 5bx2 by Molmil](/molmil-images/mine/5bx2) | Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with 2-deoxy-2-fluoroglucoside | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-fluoro-alpha-D-glucopyranose, CALCIUM ION, ... | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | Deposit date: | 2015-06-08 | Release date: | 2016-05-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2) Acs Chem.Biol., 11, 2016
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4XJP
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![BU of 4xjp by Molmil](/molmil-images/mine/4xjp) | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | Authors: | Finzel, B.C, Dai, R. | Deposit date: | 2015-01-08 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis. J. Med. Chem., 60, 2017
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4XLO
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![BU of 4xlo by Molmil](/molmil-images/mine/4xlo) | Crystal Structure of EncM (crystallized with 4 mM NADPH) | Descriptor: | FAD-dependent oxygenase EncM, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Teufel, R. | Deposit date: | 2015-01-13 | Release date: | 2015-01-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Flavin-mediated dual oxidation controls an enzymatic Favorskii-type rearrangement. Nature, 503, 2013
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4ZM5
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![BU of 4zm5 by Molmil](/molmil-images/mine/4zm5) | Shigella flexneri lipopolysaccharide O-antigen chain-length regulator WzzBSF - A107P mutant | Descriptor: | CHLORIDE ION, Chain length determinant protein, MAGNESIUM ION | Authors: | Ericsson, D.J, Chang, C.-W, Lonhienne, T, Casey, L, Benning, F, Kobe, B, Tran, E.N.H, Morona, R. | Deposit date: | 2015-05-02 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structural and Biochemical Analysis of a Single Amino-Acid Mutant of WzzBSF That Alters Lipopolysaccharide O-Antigen Chain Length in Shigella flexneri. Plos One, 10, 2015
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4ZQ8
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![BU of 4zq8 by Molmil](/molmil-images/mine/4zq8) | Crystal structure of a terpene synthase from Streptomyces lydicus, target EFI-540129 | Descriptor: | Isoprenoid Synthase | Authors: | Toro, R, Bhosle, R, Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Poulter, C.D, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-05-08 | Release date: | 2015-07-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a terpene synthase from Streptomyces lydicus, target EFI-540129 To be published
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7PJJ
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![BU of 7pjj by Molmil](/molmil-images/mine/7pjj) | Structure of the Family-3 Glycosyl Hydrolase BcpE2 from Streptomyces scabies | Descriptor: | Beta-glucosidase, GLYCEROL | Authors: | Jadot, C, Herman, R, Deflandre, B, Rigali, S, Kerff, F. | Deposit date: | 2021-08-24 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.086 Å) | Cite: | Structure and Function of BcpE2, the Most Promiscuous GH3-Family Glucose Scavenging Beta-Glucosidase. Mbio, 13, 2022
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4CDC
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![BU of 4cdc by Molmil](/molmil-images/mine/4cdc) | Human DPP1 in complex with (2S)-2-amino-N-((1S)-1-cyano-2-(4- phenylphenyl)ethyl)butanamide | Descriptor: | (2S)-2-azanyl-N-[(2S)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | Deposit date: | 2013-10-31 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate. J.Med.Chem., 57, 2014
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7SP4
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![BU of 7sp4 by Molmil](/molmil-images/mine/7sp4) | In situ cryo-EM structure of bacteriophage Sf6 gp3:gp7:gp5 complex in conformation 2 at 3.71A resolution | Descriptor: | Gene 3 protein, Gene 5 protein, Gene 7 protein | Authors: | Li, F, Cingolani, G, Hou, C, Yang, R. | Deposit date: | 2021-11-02 | Release date: | 2022-11-09 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.71 Å) | Cite: | High-resolution cryo-EM structure of the Shigella virus Sf6 genome delivery tail machine. Sci Adv, 8, 2022
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7SPU
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![BU of 7spu by Molmil](/molmil-images/mine/7spu) | In situ cryo-EM structure of bacteriophage Sf6 gp3:gp7:gp5 complex in conformation 1 at 3.73A resolution | Descriptor: | Gene 3 protein, Gene 5 protein, Gene 7 protein | Authors: | Li, F, Cingolani, G, Hou, C, Yang, R. | Deposit date: | 2021-11-03 | Release date: | 2022-11-23 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | High-resolution cryo-EM structure of the Shigella virus Sf6 genome delivery tail machine. Sci Adv, 8, 2022
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7T0Y
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![BU of 7t0y by Molmil](/molmil-images/mine/7t0y) | The Ribosomal RNA Processing 1B Protein Phosphatase-1 Holoenzyme | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, FLUORIDE ION, ... | Authors: | Srivastava, G, Page, R, Peti, W. | Deposit date: | 2021-11-30 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The ribosomal RNA processing 1B:protein phosphatase 1 holoenzyme reveals non-canonical PP1 interaction motifs. Cell Rep, 41, 2022
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