8AFX
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![BU of 8afx by Molmil](/molmil-images/mine/8afx) | Single particle structure of Atg18-WT | Descriptor: | Autophagy-related protein 18 | Authors: | Mann, D, Fromm, S, Martinez-Sanchez, A, Gopaldass, N, Mayer, A, Sachse, C. | Deposit date: | 2022-07-18 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Cryo-EM structures of Atg18 oligomers reveal a tilted structural scaffold for Atg2 at the isolation membrane To Be Published
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3DFR
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![BU of 3dfr by Molmil](/molmil-images/mine/3dfr) | CRYSTAL STRUCTURES OF ESCHERICHIA COLI AND LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE REFINED AT 1.7 ANGSTROMS RESOLUTION. I. GENERAL FEATURES AND BINDING OF METHOTREXATE | Descriptor: | DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Filman, D.J, Matthews, D.A, Bolin, J.T, Kraut, J. | Deposit date: | 1982-06-25 | Release date: | 1982-10-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate. J.Biol.Chem., 257, 1982
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5ETX
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![BU of 5etx by Molmil](/molmil-images/mine/5etx) | Crystal structure of HCV NS3/4A protease A156T variant in complex with 5172-Linear (MK-5172 linear analogue) | Descriptor: | CHLORIDE ION, NS3 protease, ZINC ION, ... | Authors: | Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Aydin, C, Schiffer, C.A. | Deposit date: | 2015-11-18 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172. Acs Chem.Biol., 11, 2016
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5OGT
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![BU of 5ogt by Molmil](/molmil-images/mine/5ogt) | |
6FM1
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![BU of 6fm1 by Molmil](/molmil-images/mine/6fm1) | Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATPanddGMP at 2.3 Angstrom resolution | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase, ... | Authors: | Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A. | Deposit date: | 2018-01-29 | Release date: | 2019-06-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A third purine biosynthetic pathway encoded by aminoadenine-based viral DNA genomes. Science, 372, 2021
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5NUX
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![BU of 5nux by Molmil](/molmil-images/mine/5nux) | |
6FM3
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![BU of 6fm3 by Molmil](/molmil-images/mine/6fm3) | Deoxyguanylosuccinate synthase (DgsS) structure with ADP at 1.9 Angstrom resolution | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Adenylosuccinate synthetase, CHLORIDE ION | Authors: | Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A. | Deposit date: | 2018-01-30 | Release date: | 2019-06-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP0, dGMP, Magnesium at 2.3 Angstrom resolution To Be Published
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5OCS
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![BU of 5ocs by Molmil](/molmil-images/mine/5ocs) | Ene-reductase (ER/OYE) from Ralstonia (Cupriavidus) metallidurans | Descriptor: | ACETATE ION, CITRIC ACID, FLAVIN MONONUCLEOTIDE, ... | Authors: | Opperman, D.J. | Deposit date: | 2017-07-03 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural investigation into the C-terminal extension of the ene-reductase from Ralstonia (Cupriavidus) metallidurans. Proteins, 85, 2017
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6FKO
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![BU of 6fko by Molmil](/molmil-images/mine/6fko) | Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, dGMP, hadacidin at 2.1 Angstrom resolution | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase, ... | Authors: | Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A. | Deposit date: | 2018-01-24 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, dGMP, HAdacidin at 2.1 Angstrom resolution To Be Published
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4DFR
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![BU of 4dfr by Molmil](/molmil-images/mine/4dfr) | CRYSTAL STRUCTURES OF ESCHERICHIA COLI AND LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE REFINED AT 1.7 ANGSTROMS RESOLUTION. I. GENERAL FEATURES AND BINDING OF METHOTREXATE | Descriptor: | CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ... | Authors: | Filman, D.J, Matthews, D.A, Bolin, J.T, Kraut, J. | Deposit date: | 1982-06-25 | Release date: | 1982-10-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate. J.Biol.Chem., 257, 1982
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5EPY
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![BU of 5epy by Molmil](/molmil-images/mine/5epy) | Crystal structure of HCV NS3/4A protease A156T variant in complex with 5172-mcP1P3 (MK-5172 P1-P3 macrocyclic analogue) | Descriptor: | 2-Methyl-2-propanyl {(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclop ropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, NS3 protease, SULFATE ION, ... | Authors: | Soumana, D.I, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Aydin, C, Schiffer, C.A. | Deposit date: | 2015-11-12 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172. Acs Chem.Biol., 11, 2016
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5EQS
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![BU of 5eqs by Molmil](/molmil-images/mine/5eqs) | Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Asunaprevir | Descriptor: | N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, NS3 protease, ZINC ION | Authors: | Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A. | Deposit date: | 2015-11-13 | Release date: | 2016-11-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.839 Å) | Cite: | Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease. J.Am.Chem.Soc., 138, 2016
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5EQR
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![BU of 5eqr by Molmil](/molmil-images/mine/5eqr) | Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with danoprevir | Descriptor: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS3 protease, SULFATE ION, ... | Authors: | Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A. | Deposit date: | 2015-11-13 | Release date: | 2016-11-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease. J.Am.Chem.Soc., 138, 2016
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6FLF
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![BU of 6flf by Molmil](/molmil-images/mine/6flf) | |
8OVY
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![BU of 8ovy by Molmil](/molmil-images/mine/8ovy) | Structure of analogue of superfolded GFP | Descriptor: | Green fluorescent protein | Authors: | Dunkelmann, D, Fiedler, M, Bellini, D, Alvira, C.P, Chin, J.W. | Deposit date: | 2023-04-26 | Release date: | 2024-01-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.537 Å) | Cite: | Adding alpha , alpha-disubstituted and beta-linked monomers to the genetic code of an organism. Nature, 625, 2024
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6FM0
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![BU of 6fm0 by Molmil](/molmil-images/mine/6fm0) | Deoxyguanylosuccinate synthase (DgsS) and ATP structure at 1.7 Angstrom resolution | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase | Authors: | Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A. | Deposit date: | 2018-01-29 | Release date: | 2019-06-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A third purine biosynthetic pathway encoded by aminoadenine-based viral DNA genomes. Science, 372, 2021
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8QW7
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![BU of 8qw7 by Molmil](/molmil-images/mine/8qw7) | Crystal Structure of compound 4 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB | Descriptor: | (2S,4R)-1-[(2R)-2-[3-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Zollman, D, Farnaby, W, Ciulli, A. | Deposit date: | 2023-10-18 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Targeting cancer with small molecule pan-KRAS degraders Biorxiv, 2023
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8QW6
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![BU of 8qw6 by Molmil](/molmil-images/mine/8qw6) | Crystal Structure of compound 3 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB | Descriptor: | (2S,4R)-1-[(2S)-2-[6-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]hexanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Zollman, D, Farnaby, W, Ciulli, A. | Deposit date: | 2023-10-18 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Targeting cancer with small molecule pan-KRAS degraders Biorxiv, 2023
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5ESB
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![BU of 5esb by Molmil](/molmil-images/mine/5esb) | Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Vaniprevir | Descriptor: | (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide, NS3 protease, SULFATE ION, ... | Authors: | Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A. | Deposit date: | 2015-11-16 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease. J.Am.Chem.Soc., 138, 2016
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5EQQ
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![BU of 5eqq by Molmil](/molmil-images/mine/5eqq) | Crystal structure of HCV NS3/4A WT protease in complex with 5172-Linear (MK-5172 linear analogue) | Descriptor: | NS3 protease, SULFATE ION, ZINC ION, ... | Authors: | Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Aydin, C, Schiffer, C.A. | Deposit date: | 2015-11-13 | Release date: | 2016-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172. Acs Chem.Biol., 11, 2016
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5EPN
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![BU of 5epn by Molmil](/molmil-images/mine/5epn) | Crystal structure of HCV NS3/4A protease in complex with 5172-mcP1P3 (MK-5172 P1-P3 macrocyclic analogue) | Descriptor: | 2-Methyl-2-propanyl {(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclop ropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, NS3 protease, SULFATE ION, ... | Authors: | Soumana, D.I, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Aydin, C, Schiffer, C.A. | Deposit date: | 2015-11-11 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172. Acs Chem.Biol., 11, 2016
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4C1E
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![BU of 4c1e by Molmil](/molmil-images/mine/4c1e) | Crystal structure of the metallo-beta-lactamase VIM-2 with D-captopril | Descriptor: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE CLASS B VIM-2, FORMIC ACID, ... | Authors: | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | Deposit date: | 2013-08-12 | Release date: | 2014-08-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.399 Å) | Cite: | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers. Antimicrob. Agents Chemother., 60, 2015
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4C1F
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![BU of 4c1f by Molmil](/molmil-images/mine/4c1f) | Crystal structure of the metallo-beta-lactamase IMP-1 with L-captopril | Descriptor: | BETA-LACTAMASE IMP-1, L-CAPTOPRIL, SULFATE ION, ... | Authors: | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | Deposit date: | 2013-08-12 | Release date: | 2014-08-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers. Antimicrob. Agents Chemother., 60, 2015
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4C1H
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![BU of 4c1h by Molmil](/molmil-images/mine/4c1h) | Crystal structure of the metallo-beta-lactamase BCII with L-captopril | Descriptor: | BETA-LACTAMASE 2, GLYCEROL, L-CAPTOPRIL, ... | Authors: | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | Deposit date: | 2013-08-12 | Release date: | 2014-08-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers. Antimicrob. Agents Chemother., 60, 2015
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8Q5J
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![BU of 8q5j by Molmil](/molmil-images/mine/8q5j) | |