8SE9
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![BU of 8se9 by Molmil](/molmil-images/mine/8se9) | Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex (Form 2) | Descriptor: | ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ... | Authors: | Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K. | Deposit date: | 2023-04-08 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer. Nat Commun, 14, 2023
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8OF4
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![BU of 8of4 by Molmil](/molmil-images/mine/8of4) | Nucleosome Bound human SIRT6 (Composite) | Descriptor: | DNA (145-MER), Histone H2A type 1, Histone H2B, ... | Authors: | Smirnova, E, Bignon, E, Schultz, P, Papai, G, Ben-Shem, A. | Deposit date: | 2023-03-13 | Release date: | 2023-08-09 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | Binding to nucleosome poises human SIRT6 for histone H3 deacetylation. Elife, 12, 2024
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5IPF
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![BU of 5ipf by Molmil](/molmil-images/mine/5ipf) | Crystal structure of Hypoxanthine-guanine phosphoribosyltransferase from Schistosoma mansoni in complex with IMP | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase (HGPRT), INOSINIC ACID | Authors: | Romanello, L, Torini, J.R.S, Bird, L.E, Nettleship, J.E, Owens, R.J, DeMarco, R, Pereira, H.M, Brandao-Neto, J. | Deposit date: | 2016-03-09 | Release date: | 2017-03-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | In vitro and in vivo characterization of the multiple isoforms of Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferases. Mol. Biochem. Parasitol., 229, 2019
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8ONN
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![BU of 8onn by Molmil](/molmil-images/mine/8onn) | Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense point mutant E113A complexed with 3-aminooxypropionic acid | Descriptor: | 3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid, Aminotransferase class IV | Authors: | Matyuta, I.O, Boyko, K.M, Minyaev, M.E, Shilova, S.A, Bezsudnova, E.Y, Popov, V.O. | Deposit date: | 2023-04-03 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | In search for structural targets for engineering d-amino acid transaminase: modulation of pH optimum and substrate specificity. Biochem.J., 480, 2023
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6MA2
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![BU of 6ma2 by Molmil](/molmil-images/mine/6ma2) | Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor ent-1a | Descriptor: | Host Cell Factor 1 peptide, N-[(2S)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | Authors: | Martin, S.E.S, Lazarus, M.B, Walker, S. | Deposit date: | 2018-08-25 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors. J. Am. Chem. Soc., 140, 2018
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6OPU
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![BU of 6opu by Molmil](/molmil-images/mine/6opu) | HIV-1 Protease NL4-3 K45I, M46I, V82F, I84V Mutant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2019-04-25 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
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6OPY
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![BU of 6opy by Molmil](/molmil-images/mine/6opy) | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, A71V, L76V, V82F, I84V Mutant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2019-04-25 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
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7NCO
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![BU of 7nco by Molmil](/molmil-images/mine/7nco) | Glutathione-S-transferase GliG mutant K127R | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Glutathione S-transferase GliG | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2021-01-29 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin. Angew.Chem.Int.Ed.Engl., 60, 2021
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6XAS
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![BU of 6xas by Molmil](/molmil-images/mine/6xas) | CryoEM Structure of E. coli Rho-dependent Transcription Pre-termination Complex | Descriptor: | DNA (29-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Hao, Z.T, Kim, H.K, Walz, T, Nudler, E. | Deposit date: | 2020-06-04 | Release date: | 2020-12-16 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Pre-termination Transcription Complex: Structure and Function. Mol.Cell, 81, 2021
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6XJA
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![BU of 6xja by Molmil](/molmil-images/mine/6xja) | |
6UB4
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![BU of 6ub4 by Molmil](/molmil-images/mine/6ub4) | Crystal structure (C2 form) of a GH128 (subgroup IV) endo-beta-1,3-glucanase from Lentinula edodes (LeGH128_IV) in complex with laminaritriose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCOSIDE HYDROLASE, ... | Authors: | Santos, C.R, Lima, E.A, Mandelli, F, Murakami, M.T. | Deposit date: | 2019-09-11 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6EPK
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![BU of 6epk by Molmil](/molmil-images/mine/6epk) | CRYSTAL STRUCTURE OF THE PRECURSOR MEMBRANE PROTEIN-ENVELOPE PROTEIN HETERODIMER FROM THE YELLOW FEVER VIRUS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, GLYCEROL, ... | Authors: | Rey, F.A, Duquerroy, S, Crampon, E, Barba-Spaeth, G. | Deposit date: | 2017-10-11 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | New insight into flavivirus maturation from structure/function studies of the yellow fever virus envelope protein complex Mbio, 2023
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6M9H
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![BU of 6m9h by Molmil](/molmil-images/mine/6m9h) | |
6MA5
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![BU of 6ma5 by Molmil](/molmil-images/mine/6ma5) | Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 1a | Descriptor: | Host Cell Factor 1 peptide, N-[(2R)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | Authors: | Martin, S.E.S, Lazarus, M.B, Walker, S. | Deposit date: | 2018-08-25 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors. J. Am. Chem. Soc., 140, 2018
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7NLY
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![BU of 7nly by Molmil](/molmil-images/mine/7nly) | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-Chlorobenzimidazole. | Descriptor: | 2-chloranyl-1~{H}-benzimidazole, Acetylglutamate kinase, SULFATE ION | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | Deposit date: | 2021-02-22 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.246 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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5II1
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![BU of 5ii1 by Molmil](/molmil-images/mine/5ii1) | Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 1-methylisochromeno[3,4-c]pyrazol-5(3H)-one | Descriptor: | 1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Myrianthopoulos, V, Mikros, E, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-01 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis. J.Med.Chem., 59, 2016
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5LNH
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![BU of 5lnh by Molmil](/molmil-images/mine/5lnh) | Structure of full length Unliganded CodY from Bacillus subtilis | Descriptor: | GTP-sensing transcriptional pleiotropic repressor CodY, SULFATE ION | Authors: | Wilkinson, A.J, Levdikov, V.M, Blagova, E.V. | Deposit date: | 2016-08-04 | Release date: | 2017-01-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the Branched-chain Amino Acid and GTP-sensing Global Regulator, CodY, from Bacillus subtilis. J. Biol. Chem., 292, 2017
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7NLT
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![BU of 7nlt by Molmil](/molmil-images/mine/7nlt) | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 4-(4-methylpiperazin-1-yl)benzoic acid | Descriptor: | 4-(4-methylpiperazin-1-yl)benzoic acid, Acetylglutamate kinase, SULFATE ION | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | Deposit date: | 2021-02-22 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.225 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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7NNB
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![BU of 7nnb by Molmil](/molmil-images/mine/7nnb) | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2,8-bis(trifluoromethyl)quinolin-4-ol. | Descriptor: | 1,2-ETHANEDIOL, 2,8-bis(trifluoromethyl)quinolin-4-ol, Acetylglutamate kinase, ... | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | Deposit date: | 2021-02-24 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.186 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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7NLR
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![BU of 7nlr by Molmil](/molmil-images/mine/7nlr) | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-phenyl-1H-imidazole | Descriptor: | 2-phenyl-1H-imidazole, Acetylglutamate kinase, SULFATE ION | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | Deposit date: | 2021-02-22 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.254 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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4XAJ
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![BU of 4xaj by Molmil](/molmil-images/mine/4xaj) | Crystal structure of human NR2E1/TLX | Descriptor: | Atrophin/grunge, Maltose-binding periplasmic protein,Nuclear receptor subfamily 2 group E member 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Zhi, X, Zhou, E, Xu, E. | Deposit date: | 2014-12-14 | Release date: | 2015-03-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.551 Å) | Cite: | Structural basis for corepressor assembly by the orphan nuclear receptor TLX. Genes Dev., 29, 2015
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7NLQ
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![BU of 7nlq by Molmil](/molmil-images/mine/7nlq) | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-(isoxazol-5-yl)phenol | Descriptor: | 2-(1,2-oxazol-5-yl)phenol, Acetylglutamate kinase, SULFATE ION | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | Deposit date: | 2021-02-22 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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7NN8
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![BU of 7nn8 by Molmil](/molmil-images/mine/7nn8) | Crystal structure of Mycobacterium tuberculosis ArgB in complex with 1H-indole-3-carbonitrile. | Descriptor: | 1,2-ETHANEDIOL, 1~{H}-indole-3-carbonitrile, Acetylglutamate kinase, ... | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | Deposit date: | 2021-02-24 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.267 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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8T6I
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![BU of 8t6i by Molmil](/molmil-images/mine/8t6i) | Structure of VHH-Fab complex with engineered Crystal Kappa region | Descriptor: | Fab heavy chain, Fab light chain, GLYCEROL, ... | Authors: | Filippova, E.V, Thompson, I, Kossiakoff, A.A. | Deposit date: | 2023-06-16 | Release date: | 2023-11-29 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes. Protein Sci., 33, 2024
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7NLN
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![BU of 7nln by Molmil](/molmil-images/mine/7nln) | Crystal structure of Mycobacterium tuberculosis ArgB in complex with N-acetyl-glutamate | Descriptor: | 1,2-ETHANEDIOL, Acetylglutamate kinase, N-ACETYL-L-GLUTAMATE | Authors: | Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L. | Deposit date: | 2021-02-22 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J, 19, 2021
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