7T71
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![BU of 7t71 by Molmil](/molmil-images/mine/7t71) | Crystal Structure of Mevalonate 3,5-Bisphosphate Decarboxylase from Picrophilus Torridus | Descriptor: | Mevalonate 3,5-bisphosphate decarboxylase, OLEIC ACID | Authors: | Vinokur, J.M, Sawaya, M.R, Cascio, D, Collazo, M, Bowie, J.U. | Deposit date: | 2021-12-14 | Release date: | 2021-12-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystal structure of mevalonate 3,5-bisphosphate decarboxylase reveals insight into the evolution of decarboxylases in the mevalonate metabolic pathways. J.Biol.Chem., 298, 2022
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1B6L
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![BU of 1b6l by Molmil](/molmil-images/mine/1b6l) | HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 4 | Descriptor: | 1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-11-YL)-2-HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE, RETROPEPSIN, SULFATE ION | Authors: | Martin, J.L, Begun, J, Schindeler, A, Wickramasinghe, W.A, Alewood, D, Alewood, P.F, Bergman, D.A, Brinkworth, R.I, Abbenante, G, March, D.R, Reid, R.C, Fairlie, D.P. | Deposit date: | 1999-01-17 | Release date: | 2000-01-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease. Biochemistry, 38, 1999
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6M80
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![BU of 6m80 by Molmil](/molmil-images/mine/6m80) | Collagen peptide containing aza-proline and aza-glycine | Descriptor: | 1,2-ETHANEDIOL, Collagen peptide containing aza-proline and aza-glycine, SULFATE ION | Authors: | Chenoweth, D.M, Kasznel, A.J, Porter, N.J. | Deposit date: | 2018-08-21 | Release date: | 2019-07-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Aza-proline effectively mimics l-proline stereochemistry in triple helical collagen. Chem Sci, 10, 2019
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7KMG
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![BU of 7kmg by Molmil](/molmil-images/mine/7kmg) | LY-CoV555 neutralizing antibody against SARS-CoV-2 | Descriptor: | GLYCEROL, LY-CoV555 Fab heavy chain, LY-CoV555 Fab light chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D. | Deposit date: | 2020-11-02 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates. Sci Transl Med, 13, 2021
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6S1C
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![BU of 6s1c by Molmil](/molmil-images/mine/6s1c) | P3221 crystal form of the Ctf18-1-8/Pol2(1-528) complex | Descriptor: | Chromosome transmission fidelity protein 18, Chromosome transmission fidelity protein 8, DNA polymerase epsilon catalytic subunit A, ... | Authors: | Grabarczyk, D.B. | Deposit date: | 2019-06-18 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (6.1 Å) | Cite: | Ctf18-RFC and DNA Pol ε form a stable leading strand polymerase/clamp loader complex required for normal and perturbed DNA replication. Nucleic Acids Res., 48, 2020
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6V5N
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![BU of 6v5n by Molmil](/molmil-images/mine/6v5n) | EGFR(T790M/V948R) in complex with LN2084 | Descriptor: | 3-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]propan-1-ol, CHLORIDE ION, Epidermal growth factor receptor | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2019-12-04 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors. J.Med.Chem., 63, 2020
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5MBD
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![BU of 5mbd by Molmil](/molmil-images/mine/5mbd) | Structure of a bacterial light-regulated adenylyl cylcase | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2016-11-08 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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5MCU
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![BU of 5mcu by Molmil](/molmil-images/mine/5mcu) | New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-LHG2) | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DNA, ... | Authors: | Golovenko, D, Rozenberg, H, Shakked, Z. | Deposit date: | 2016-11-10 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins. Structure, 26, 2018
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7E7M
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![BU of 7e7m by Molmil](/molmil-images/mine/7e7m) | |
6YNT
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![BU of 6ynt by Molmil](/molmil-images/mine/6ynt) | Crystal structure of the cAMP-dependent protein kinase A in complex with aminofasudil and PKI (5-24) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine, ... | Authors: | Oebbeke, M, Gerber, H.-D, Heine, A, Klebe, G. | Deposit date: | 2020-04-14 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses. Chemmedchem, 16, 2021
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6P3M
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![BU of 6p3m by Molmil](/molmil-images/mine/6p3m) | Tetrahydroprotoberberine N-methyltransferase in complex with S-adenosylhomocysteine | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, tetrahydroprotoberberine N-methyltransferase | Authors: | Lang, D.E, Morris, J.S, Rowley, M, Torres, M.A, Maksimovich, V.A, Facchini, P.J, Ng, K.K.S. | Deposit date: | 2019-05-24 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-function studies of tetrahydroprotoberberineN-methyltransferase reveal the molecular basis of stereoselective substrate recognition. J.Biol.Chem., 294, 2019
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3HSY
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![BU of 3hsy by Molmil](/molmil-images/mine/3hsy) | High resolution structure of a dimeric GluR2 N-terminal domain (NTD) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2, SULFATE ION, ... | Authors: | Rossmann, M, Sukumaran, M, Penn, A.C, Veprintsev, D.B, Greger, I.H. | Deposit date: | 2009-06-11 | Release date: | 2010-06-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Subunit-selective N-terminal domain associations organize the formation of AMPA receptor heteromers Embo J., 30, 2011
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5F2P
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![BU of 5f2p by Molmil](/molmil-images/mine/5f2p) | Crystal structure of the BRD9 bromodomain in complex with compound 3. | Descriptor: | 2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one, BRD9 | Authors: | Nar, H, Fiegen, D, Zoephel, A, Bader, G. | Deposit date: | 2015-12-02 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
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6S7Z
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![BU of 6s7z by Molmil](/molmil-images/mine/6s7z) | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | Descriptor: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | Authors: | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | Deposit date: | 2019-07-07 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode. J.Med.Chem., 62, 2019
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1AO7
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![BU of 1ao7 by Molmil](/molmil-images/mine/1ao7) | COMPLEX BETWEEN HUMAN T-CELL RECEPTOR, VIRAL PEPTIDE (TAX), AND HLA-A 0201 | Descriptor: | BETA-2 MICROGLOBULIN, ETHYL MERCURY ION, HLA-A 0201, ... | Authors: | Garboczi, D.N, Ghosh, P, Utz, U, Fan, Q.R, Biddison, W.E, Wiley, D.C. | Deposit date: | 1997-07-21 | Release date: | 1997-09-17 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the complex between human T-cell receptor, viral peptide and HLA-A2. Nature, 384, 1996
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5IN8
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![BU of 5in8 by Molmil](/molmil-images/mine/5in8) | |
5MQG
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![BU of 5mqg by Molmil](/molmil-images/mine/5mqg) | |
1AR9
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![BU of 1ar9 by Molmil](/molmil-images/mine/1ar9) | P1/MAHONEY POLIOVIRUS, SINGLE SITE MUTANT H2142Y | Descriptor: | MYRISTIC ACID, P1/MAHONEY POLIOVIRUS, SPHINGOSINE | Authors: | Wien, M.W, Curry, S, Filman, D.J, Hogle, J.M. | Deposit date: | 1997-08-11 | Release date: | 1997-12-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural studies of poliovirus mutants that overcome receptor defects. Nat.Struct.Biol., 4, 1997
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6ESS
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![BU of 6ess by Molmil](/molmil-images/mine/6ess) | Artificial imine reductase mutant S112A-N118P-K121A-S122M | Descriptor: | IRIDIUM ION, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III) | Authors: | Hestericova, M, Heinisch, T, Alonso-Cotchico, L, Marechal, J.-D, Vidossich, P, Ward, T.R. | Deposit date: | 2017-10-24 | Release date: | 2018-01-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Directed Evolution of an Artificial Imine Reductase. Angew. Chem. Int. Ed. Engl., 57, 2018
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6M9W
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![BU of 6m9w by Molmil](/molmil-images/mine/6m9w) | Structure of Mg-free KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE | Authors: | Dharmaiah, S, Tran, T.H, Yan, W, Simanshu, D.K. | Deposit date: | 2018-08-24 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structures of N-terminally processed KRAS provide insight into the role of N-acetylation. Sci Rep, 9, 2019
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3HRH
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![BU of 3hrh by Molmil](/molmil-images/mine/3hrh) | Crystal Structure of Antigen 85C and Glycerol | Descriptor: | Antigen 85-C, GLYCEROL | Authors: | Boucau, J, Sanki, A.K, Umesiri, F.E, Sucheck, S.J, Ronning, D.R. | Deposit date: | 2009-06-09 | Release date: | 2009-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design, synthesis and biological evaluation of sugar-derived esters, alpha-ketoesters and alpha-ketoamides as inhibitors for Mycobacterium tuberculosis antigen 85C. Mol Biosyst, 5, 2009
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5MQO
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![BU of 5mqo by Molmil](/molmil-images/mine/5mqo) | Glycoside hydrolase BT_1003 | Descriptor: | Non-reducing end beta-L-arabinofuranosidase | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | Deposit date: | 2016-12-20 | Release date: | 2017-03-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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5MCW
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![BU of 5mcw by Molmil](/molmil-images/mine/5mcw) | New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-LWC2) | Descriptor: | Cellular tumor antigen p53, DNA, FORMYL GROUP, ... | Authors: | Golovenko, D, Rozenberg, H, Shakked, Z. | Deposit date: | 2016-11-10 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins. Structure, 26, 2018
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7AM3
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![BU of 7am3 by Molmil](/molmil-images/mine/7am3) | Crystal structure of Peptiligase mutant - M222P | Descriptor: | GLYCEROL, SULFATE ION, Subtilisin BPN' | Authors: | Rozeboom, H.J, Janssen, D.J. | Deposit date: | 2020-10-08 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase. Comput Struct Biotechnol J, 19, 2021
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8PIQ
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![BU of 8piq by Molmil](/molmil-images/mine/8piq) | Crystal Structure of BRD4-BD1 with BI894999 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | Authors: | Kessler, D. | Deposit date: | 2023-06-22 | Release date: | 2023-07-26 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.117 Å) | Cite: | Crystal Structure of BRD4-BD1 with BI894999 To Be Published
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