5HT9
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5HOH
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![BU of 5hoh by Molmil](/molmil-images/mine/5hoh) | RIBONUCLEASE T1 (ASN9ALA/THR93ALA DOUBLEMUTANT) COMPLEXED WITH 2'GMP | Descriptor: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, PROTEIN (RIBONUCLEASE T1) | Authors: | Langhorst, U, Loris, R, Denisov, V.P, Doumen, J, Roose, P, Maes, D, Halle, B, Steyaert, J. | Deposit date: | 1998-09-14 | Release date: | 1998-09-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dissection of the structural and functional role of a conserved hydration site in RNase T1. Protein Sci., 8, 1999
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8OTN
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![BU of 8otn by Molmil](/molmil-images/mine/8otn) | structure of InhA from mycobacterium tuberculosis in complex with inhibitor 7-((1-(3-Hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4-methyl-2H-chromen-2-one | Descriptor: | 4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L. | Deposit date: | 2023-04-21 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.962 Å) | Cite: | Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA. Eur.J.Med.Chem., 259, 2023
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4XPN
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![BU of 4xpn by Molmil](/molmil-images/mine/4xpn) | Crystal Structure of Protein Phosphate 1 complexed with PP1 binding domain of GADD34 | Descriptor: | GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Choy, M.S, Peti, W, Page, R. | Deposit date: | 2015-01-17 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.285 Å) | Cite: | Structural and Functional Analysis of the GADD34:PP1 eIF2 alpha Phosphatase. Cell Rep, 11, 2015
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6Z5N
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![BU of 6z5n by Molmil](/molmil-images/mine/6z5n) | DnaJB1 JD-GF | Descriptor: | DnaJ homolog subfamily B member 1 | Authors: | Avraham-Abayev, M, London, N, Rosenzweig, R. | Deposit date: | 2020-05-27 | Release date: | 2020-11-18 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | HSP40 proteins use class-specific regulation to drive HSP70 functional diversity. Nature, 587, 2020
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5HQ0
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![BU of 5hq0 by Molmil](/molmil-images/mine/5hq0) | Ternary complex of human proteins CDK1, Cyclin B and CKS2, bound to an inhibitor | Descriptor: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ... | Authors: | Noble, M.E, Martin, M.P, Korolchuk, S, Brown, N.R, Moukhametzianov, R, Stanley, W.A. | Deposit date: | 2016-01-21 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | CDK1 structures reveal conserved and unique features of the essential cell cycle CDK. Nat Commun, 6, 2015
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4XES
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![BU of 4xes by Molmil](/molmil-images/mine/4xes) | Structure of active-like neurotensin receptor | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Krumm, B.E, White, J.F, Shah, P, Grisshammer, R. | Deposit date: | 2014-12-24 | Release date: | 2015-07-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural prerequisites for G-protein activation by the neurotensin receptor. Nat Commun, 6, 2015
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2LKG
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![BU of 2lkg by Molmil](/molmil-images/mine/2lkg) | WSA major conformation | Descriptor: | Acetylcholine receptor | Authors: | Xu, Y, Mowrey, D, Cui, T, Perez-Aguilar, J.M, Saven, J.G, Eckenhoff, R, Tang, P. | Deposit date: | 2011-10-11 | Release date: | 2012-01-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR structure and dynamics of a designed water-soluble transmembrane domain of nicotinic acetylcholine receptor. Biochim.Biophys.Acta, 1818, 2011
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4XF5
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![BU of 4xf5 by Molmil](/molmil-images/mine/4xf5) | Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound (S)-(+)-2-Amino-1-propanol. | Descriptor: | (2S)-2-aminopropan-1-ol, CHLORIDE ION, Twin-arginine translocation pathway signal | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-26 | Release date: | 2015-01-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound (S)-(+)-2-Amino-1-propanol. To be published
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1E7J
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![BU of 1e7j by Molmil](/molmil-images/mine/1e7j) | HMG-D complexed to a bulge DNA | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*AP*TP*TP*AP*AP*GP*AP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*TP*CP*AP*AP*TP*AP*TP*CP*G)-3'), HIGH MOBILITY GROUP PROTEIN D | Authors: | Cerdan, R, Payet, D, Yang, J.-C, Travers, A.A, Neuhaus, D. | Deposit date: | 2000-08-29 | Release date: | 2001-03-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Hmg-D Complexed to a Bulge DNA: An NMR Model Protein Sci., 10, 2001
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1EGD
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![BU of 1egd by Molmil](/molmil-images/mine/1egd) | STRUCTURE OF T255E, E376G MUTANT OF HUMAN MEDIUM CHAIN ACYL-COA DEHYDROGENASE | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MEDIUM CHAIN ACYL-COA DEHYDROGENASE | Authors: | Lee, H.J, Wang, M, Paschke, R, Nandy, A, Ghisla, S, Kim, J.P. | Deposit date: | 1996-04-11 | Release date: | 1997-06-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of the wild type and the Glu376Gly/Thr255Glu mutant of human medium-chain acyl-CoA dehydrogenase: influence of the location of the catalytic base on substrate specificity. Biochemistry, 35, 1996
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1EGC
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![BU of 1egc by Molmil](/molmil-images/mine/1egc) | STRUCTURE OF T255E, E376G MUTANT OF HUMAN MEDIUM CHAIN ACYL-COA DEHYDROGENASE COMPLEXED WITH OCTANOYL-COA | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MEDIUM CHAIN ACYL-COA DEHYDROGENASE, OCTANOYL-COENZYME A | Authors: | Lee, H.J, Wang, M, Paschke, R, Nandy, A, Ghisla, S, Kim, J.P. | Deposit date: | 1996-04-11 | Release date: | 1997-11-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of the wild type and the Glu376Gly/Thr255Glu mutant of human medium-chain acyl-CoA dehydrogenase: influence of the location of the catalytic base on substrate specificity. Biochemistry, 35, 1996
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7A1G
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![BU of 7a1g by Molmil](/molmil-images/mine/7a1g) | Structure of a crosslinked yeast ABCE1-bound 43S pre-initiation complex | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | Authors: | Mackens-Kiani, T, Kratzat, H, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | Deposit date: | 2020-08-13 | Release date: | 2020-10-14 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A structural inventory of native ribosomal ABCE1-43S pre-initiation complexes. Embo J., 40, 2021
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5HZC
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![BU of 5hzc by Molmil](/molmil-images/mine/5hzc) | Crystal structure of the complex PPARgamma/AL26-29 | Descriptor: | 2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Lavecchia, A. | Deposit date: | 2016-02-02 | Release date: | 2016-11-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for PPAR partial or full activation revealed by a novel ligand binding mode. Sci Rep, 6, 2016
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6ZT9
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![BU of 6zt9 by Molmil](/molmil-images/mine/6zt9) | X-ray structure of mutated arabinofuranosidase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R. | Deposit date: | 2020-07-17 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase. N Biotechnol, 62, 2021
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4XN8
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8P0O
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![BU of 8p0o by Molmil](/molmil-images/mine/8p0o) | Crystal structure of AaNGT complexed to UDP-Gal | Descriptor: | 1,2-ETHANEDIOL, Adhesin, GALACTOSE-URIDINE-5'-DIPHOSPHATE | Authors: | Pinello, B, Macias-Leon, J, Rovira, C, Hurtado-Guerrero, R. | Deposit date: | 2023-05-10 | Release date: | 2023-09-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase. Nat Commun, 14, 2023
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2J9N
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![BU of 2j9n by Molmil](/molmil-images/mine/2j9n) | Robotically harvested Trypsin complexed with Benzamidine containing polypeptide mediated crystal contacts | Descriptor: | BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ... | Authors: | Viola, R, Carman, P, Walsh, J, Miller, E, Benning, M, Frankel, D, McPherson, A, Cudney, R, Rupp, B. | Deposit date: | 2006-11-14 | Release date: | 2007-04-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Operator Assisted Harvesting of Protein Crystals Using a Universal Micromanipulation Robot. J.Appl.Crystallogr., 40, 2007
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8OME
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![BU of 8ome by Molmil](/molmil-images/mine/8ome) | Crystal structure of hKHK-A in complex with compound-4 | Descriptor: | Ketohexokinase, compound | Authors: | Ebenhoch, R, Pautsch, A. | Deposit date: | 2023-03-31 | Release date: | 2023-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design. Acta Crystallogr D Struct Biol, 79, 2023
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6ZTA
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![BU of 6zta by Molmil](/molmil-images/mine/6zta) | X-ray structure of mutated arabinofuranosidase | Descriptor: | Alpha-L-arabinofuranosidase | Authors: | Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R. | Deposit date: | 2020-07-17 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase. N Biotechnol, 62, 2021
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8P0Q
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![BU of 8p0q by Molmil](/molmil-images/mine/8p0q) | Crystal structure of AaNGT complexed to UDP and a peptide | Descriptor: | Adhesin, PHE-GLY-ASN-TRP-THR-THR, URIDINE-5'-DIPHOSPHATE | Authors: | Piniello, B, Macias-Leon, J, Rovira, C, Hurtado-Guerrero, R. | Deposit date: | 2023-05-10 | Release date: | 2023-09-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase. Nat Commun, 14, 2023
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4XO9
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![BU of 4xo9 by Molmil](/molmil-images/mine/4xo9) | Crystal structure of a FimH*DsG complex from E.coli K12 in space group C2 | Descriptor: | Minor component of type 1 fimbriae, Protein FimH | Authors: | Jakob, R.P, Eras, J, Glockshuber, R, Maier, T. | Deposit date: | 2015-01-16 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Catch-bond mechanism of the bacterial adhesin FimH. Nat Commun, 7, 2016
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6ZT8
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![BU of 6zt8 by Molmil](/molmil-images/mine/6zt8) | X-ray structure of mutated arabinofuranosidase | Descriptor: | Alpha-L-arabinofuranosidase, CHLORIDE ION, PENTAETHYLENE GLYCOL, ... | Authors: | Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R. | Deposit date: | 2020-07-17 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase. N Biotechnol, 62, 2021
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6ZT6
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![BU of 6zt6 by Molmil](/molmil-images/mine/6zt6) | X-ray structure of mutated arabinofuranosidase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-L-arabinofuranosidase | Authors: | Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R. | Deposit date: | 2020-07-17 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase. N Biotechnol, 62, 2021
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6ZT7
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![BU of 6zt7 by Molmil](/molmil-images/mine/6zt7) | X-ray structure of mutated arabinofuranosidase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R. | Deposit date: | 2020-07-17 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase. N Biotechnol, 62, 2021
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