5LUI
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![BU of 5lui by Molmil](/molmil-images/mine/5lui) | Structure of cutinase 1 from Thermobifida cellulosilytica | Descriptor: | CHLORIDE ION, Cutinase 1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Hromic, A, Lyskowski, A, Gruber, K. | Deposit date: | 2016-09-08 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Small cause, large effect: Structural characterization of cutinases from Thermobifida cellulosilytica. Biotechnol. Bioeng., 114, 2017
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7S0Y
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![BU of 7s0y by Molmil](/molmil-images/mine/7s0y) | Structures of TcdB in complex with Cdc42 | Descriptor: | Cell division control protein 42 homolog, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zheng, L, Rongsheng, J, Peng, C. | Deposit date: | 2021-08-31 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B. Sci Adv, 7, 2021
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7S0Z
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![BU of 7s0z by Molmil](/molmil-images/mine/7s0z) | Structures of TcdB in complex with R-Ras | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, AMMONIUM ION, ... | Authors: | Zheng, L, Rongsheng, J, Peng, C. | Deposit date: | 2021-08-31 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B. Sci Adv, 7, 2021
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6OL9
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![BU of 6ol9 by Molmil](/molmil-images/mine/6ol9) | Structure of the M5 muscarinic acetylcholine receptor (M5-T4L) bound to tiotropium | Descriptor: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ... | Authors: | Vuckovic, Z, Christopoulos, A, Thal, D.M. | Deposit date: | 2019-04-16 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.541 Å) | Cite: | Crystal structure of the M5muscarinic acetylcholine receptor. Proc.Natl.Acad.Sci.USA, 116, 2019
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6HN0
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![BU of 6hn0 by Molmil](/molmil-images/mine/6hn0) | Complex of Ovine Serum Albumin with diclofenac | Descriptor: | (2S)-2-hydroxybutanedioic acid, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ACETATE ION, ... | Authors: | Talaj, J.A, Bujacz, A, Bujacz, G. | Deposit date: | 2018-09-13 | Release date: | 2019-10-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural Investigation of Diclofenac Binding to Ovine, Caprine, and Leporine Serum Albumins. Int J Mol Sci, 24, 2023
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1JLQ
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![BU of 1jlq by Molmil](/molmil-images/mine/1jlq) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 739W94 | Descriptor: | 2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE, HIV-1 RT, A-CHAIN, ... | Authors: | Ren, J, Stuart, D.I, Stammers, D.K. | Deposit date: | 2001-07-16 | Release date: | 2001-08-22 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 2-Amino-6-arylsulfonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1. J.Med.Chem., 44, 2001
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6HOR
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![BU of 6hor by Molmil](/molmil-images/mine/6hor) | Human protein kinase CK2 alpha in complex with feruloylmethane | Descriptor: | (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | Authors: | Battistutta, R, Lolli, G. | Deposit date: | 2018-09-18 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin. Febs J., 287, 2020
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2O21
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![BU of 2o21 by Molmil](/molmil-images/mine/2o21) | Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-2 | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | Deposit date: | 2006-11-29 | Release date: | 2007-02-27 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL. J.Med.Chem., 50, 2007
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6P11
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![BU of 6p11 by Molmil](/molmil-images/mine/6p11) | Structure of spastin AAA domain (T692A mutant) in complex with JNJ-7706621 inhibitor | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Drosophila melanogaster Spastin AAA domain, ... | Authors: | Pisa, R, Cupido, T, Kapoor, T.M. | Deposit date: | 2019-05-17 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Analyzing Resistance to Design Selective Chemical Inhibitors for AAA Proteins. Cell Chem Biol, 26, 2019
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8IG4
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![BU of 8ig4 by Molmil](/molmil-images/mine/8ig4) | Crystal structure of SARS-Cov-2 main protease in complex with GC376 | Descriptor: | Non-structural protein 11, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Zhou, X.L, Zhang, J, Li, J. | Deposit date: | 2023-02-20 | Release date: | 2024-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376. J.Mol.Biol., 436, 2024
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8IG5
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![BU of 8ig5 by Molmil](/molmil-images/mine/8ig5) | Crystal structure of SARS main protease in complex with GC376 | Descriptor: | 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Lin, C, Zhang, J, Li, J. | Deposit date: | 2023-02-20 | Release date: | 2024-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376. J.Mol.Biol., 436, 2024
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8IG6
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![BU of 8ig6 by Molmil](/molmil-images/mine/8ig6) | Crystal structure of MERS main protease in complex with GC376 | Descriptor: | N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, ORF1a | Authors: | Lin, C, Zhang, J, Li, J. | Deposit date: | 2023-02-20 | Release date: | 2024-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376. J.Mol.Biol., 436, 2024
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8IG9
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![BU of 8ig9 by Molmil](/molmil-images/mine/8ig9) | |
8IGA
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![BU of 8iga by Molmil](/molmil-images/mine/8iga) | |
7RWK
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![BU of 7rwk by Molmil](/molmil-images/mine/7rwk) | Structure of Cap5 from Asticcacaulis sp. | Descriptor: | MAGNESIUM ION, SAVED domain-containing protein, ZINC ION | Authors: | Huang, R.H, Fatma, S, Chakravarti, A. | Deposit date: | 2021-08-20 | Release date: | 2021-11-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Molecular mechanisms of the CdnG-Cap5 antiphage defense system employing 3',2'-cGAMP as the second messenger. Nat Commun, 12, 2021
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5K3L
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![BU of 5k3l by Molmil](/molmil-images/mine/5k3l) | |
7RWM
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![BU of 7rwm by Molmil](/molmil-images/mine/7rwm) | Structure of Cap5 from Lactococcus lactis | Descriptor: | SAVED domain-containing protein, ZINC ION | Authors: | Huang, R.H, Fatma, S, Chakravarti, A. | Deposit date: | 2021-08-20 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Molecular mechanisms of the CdnG-Cap5 antiphage defense system employing 3',2'-cGAMP as the second messenger. Nat Commun, 12, 2021
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7RWS
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![BU of 7rws by Molmil](/molmil-images/mine/7rws) | |
7SHF
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![BU of 7shf by Molmil](/molmil-images/mine/7shf) | Cryo-EM structure of GPR158 coupled to the RGS7-Gbeta5 complex | Descriptor: | (2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, ... | Authors: | Patil, D.N, Singh, S, Singh, A.K, Martemyanov, K.A. | Deposit date: | 2021-10-08 | Release date: | 2021-12-01 | Last modified: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structure of human GPR158 receptor coupled to the RGS7-G beta 5 signaling complex. Science, 375, 2022
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5KD1
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![BU of 5kd1 by Molmil](/molmil-images/mine/5kd1) | Sperm whale myoglobin H64A with nitrosoamphetamine | Descriptor: | GLYCEROL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Wang, B, Guan, Y, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2016-06-07 | Release date: | 2017-05-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Nitrosoamphetamine binding to myoglobin and hemoglobin: Crystal structure of the H64A myoglobin-nitrosoamphetamine adduct. Nitric Oxide, 67, 2017
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2NVO
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![BU of 2nvo by Molmil](/molmil-images/mine/2nvo) | |
7SHE
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![BU of 7she by Molmil](/molmil-images/mine/7she) | Cryo-EM structure of human GPR158 | Descriptor: | (2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, ... | Authors: | Patil, D.N, Singh, S, Singh, A.K, Martemyanov, K.A. | Deposit date: | 2021-10-08 | Release date: | 2021-12-01 | Last modified: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structure of human GPR158 receptor coupled to the RGS7-G beta 5 signaling complex. Science, 375, 2022
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2OK3
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![BU of 2ok3 by Molmil](/molmil-images/mine/2ok3) | X-ray structure of human cyclophilin J at 2.0 angstrom | Descriptor: | NICKEL (II) ION, Peptidyl-prolyl cis-trans isomerase-like 3 | Authors: | Xia, Z. | Deposit date: | 2007-01-15 | Release date: | 2008-01-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Targeting Cyclophilin J, a novel peptidyl-prolyl isomerase, can induce cellular G1/S arrest and repress the growth of Hepatocellular carcinoma To be Published
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6I1X
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![BU of 6i1x by Molmil](/molmil-images/mine/6i1x) | Aeromonas hydrophila ExeD | Descriptor: | Type II secretion system protein D | Authors: | Contreras-Martel, C, Farias Estrozi, L. | Deposit date: | 2018-10-30 | Release date: | 2019-04-10 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure and assembly of pilotin-dependent and -independent secretins of the type II secretion system. Plos Pathog., 15, 2019
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6IEA
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![BU of 6iea by Molmil](/molmil-images/mine/6iea) | Structure of RVFV Gn and human monoclonal antibody R13 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, NSmGnGc, ... | Authors: | Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F. | Deposit date: | 2018-09-13 | Release date: | 2019-04-10 | Last modified: | 2019-07-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus. Nat Microbiol, 4, 2019
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