6RT8
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![BU of 6rt8 by Molmil](/molmil-images/mine/6rt8) | Structure of catharanthine synthase - an alpha-beta hydrolase from Catharanthus roseus with a cleaviminium intermediate bound | Descriptor: | 18-carboxymethoxy-cleaviminium, Catharanthine synthase, HEXAETHYLENE GLYCOL | Authors: | Caputi, L, Franke, J, Bussey, K, Farrow, S.C, Curcino Vieira, I.J, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E. | Deposit date: | 2019-05-22 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids. Nat.Chem.Biol., 16, 2020
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6S7S
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![BU of 6s7s by Molmil](/molmil-images/mine/6s7s) | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-(N-phenylsulfamoyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | Descriptor: | FORMIC ACID, Fumarate hydratase class II, ~{N}-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide | 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: | 2019-07-05 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode. J.Med.Chem., 62, 2019
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6S88
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![BU of 6s88 by Molmil](/molmil-images/mine/6s88) | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-((1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)sulfonyl)phenyl)-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: | 2019-07-08 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode. J.Med.Chem., 62, 2019
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2ACU
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![BU of 2acu by Molmil](/molmil-images/mine/2acu) | TYROSINE-48 IS THE PROTON DONOR AND HISTIDINE-110 DIRECTS SUBSTRATE STEREOCHEMICAL SELECTIVITY IN THE REDUCTION REACTION OF HUMAN ALDOSE REDUCTASE: ENZYME KINETICS AND THE CRYSTAL STRUCTURE OF THE Y48H MUTANT ENZYME | Descriptor: | ALDOSE REDUCTASE, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Bohren, K.M, Grimshaw, C.E, Lai, C.-J, Gabbay, K.H, Petsko, G.A, Harrison, D.H, Ringe, D. | Deposit date: | 1994-04-15 | Release date: | 1994-07-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Tyrosine-48 is the proton donor and histidine-110 directs substrate stereochemical selectivity in the reduction reaction of human aldose reductase: enzyme kinetics and crystal structure of the Y48H mutant enzyme. Biochemistry, 33, 1994
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7MLF
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![BU of 7mlf by Molmil](/molmil-images/mine/7mlf) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C7 | Descriptor: | 3C-like proteinase, N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide | Authors: | Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M. | Deposit date: | 2021-04-28 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors. Eur.J.Med.Chem., 229, 2021
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7MLG
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![BU of 7mlg by Molmil](/molmil-images/mine/7mlg) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C63 | Descriptor: | (2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide, 3C-like proteinase | Authors: | Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M. | Deposit date: | 2021-04-28 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors. Eur.J.Med.Chem., 229, 2021
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244D
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![BU of 244d by Molmil](/molmil-images/mine/244d) | THE HIGH-RESOLUTION CRYSTAL STRUCTURE OF A PARALLEL-STRANDED GUANINE TETRAPLEX | Descriptor: | CALCIUM ION, DNA (5'-D(*TP*GP*GP*GP*GP*T)-3'), SODIUM ION | Authors: | Laughlan, G, Murchie, A.I.H, Norman, D.G, Moore, M.H, Moody, P.C.E, Lilley, D.M.J, Luisi, B. | Deposit date: | 1995-10-19 | Release date: | 1996-02-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The high-resolution crystal structure of a parallel-stranded guanine tetraplex. Science, 265, 1994
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2A8V
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![BU of 2a8v by Molmil](/molmil-images/mine/2a8v) | RHO TRANSCRIPTION TERMINATION FACTOR/RNA COMPLEX | Descriptor: | 5'-R(P*CP*CP*C)-3', 5'-R(P*CP*CP*CP*CP*CP*C)-3', RNA BINDING DOMAIN OF RHO TRANSCRIPTION TERMINATION FACTOR | Authors: | Bogden, C.E, Fass, D, Bergman, N, Nichols, M.D, Berger, J.M. | Deposit date: | 1998-11-08 | Release date: | 1999-04-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structural basis for terminator recognition by the Rho transcription termination factor. Mol.Cell, 3, 1999
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1XZ0
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![BU of 1xz0 by Molmil](/molmil-images/mine/1xz0) | Crystal structure of CD1a in complex with a synthetic mycobactin lipopeptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(HYDROXY-HEXADECANOYL-AMINO)-2-{[(4S)-2-(2-HYDROXY-PHENYL)-4,5-DIHYDRO-OXAZOLE-4-CARBONYL]-AMINO}-HEXANOIC ACID 2-[(3S)-1-(TERT-BUTYL-DIPHENYL-SILANYLOXY)-2-OXO-AZEPAN-3-YLCARBAMOYL]-(1S)-1-METHYL-ETHYL ESTER, Beta-2-microglobulin, ... | Authors: | Zajonc, D.M, Crispin, M.D, Bowden, T.A, Young, D.C, Cheng, T.Y, Hu, J, Costello, C.E, Miller, M.J, Moody, D.B, Wilson, I.A. | Deposit date: | 2004-11-11 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular Mechanism of Lipopeptide Presentation by CD1a. Immunity, 22, 2005
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1YER
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1YET
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280D
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![BU of 280d by Molmil](/molmil-images/mine/280d) | |
2AF8
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![BU of 2af8 by Molmil](/molmil-images/mine/2af8) | ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PROTEIN FROM STREPTOMYCES COELICOLOR A3(2), NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PROTEIN | Authors: | Crump, M.P, Crosby, J, Dempsey, C.E, Parkinson, J.A, Murray, M, Hopwood, D.A, Simpson, T.J. | Deposit date: | 1997-03-23 | Release date: | 1997-09-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the actinorhodin polyketide synthase acyl carrier protein from Streptomyces coelicolor A3(2). Biochemistry, 36, 1997
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2AVK
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![BU of 2avk by Molmil](/molmil-images/mine/2avk) | met-azido-DcrH-Hr | Descriptor: | MONOAZIDO-MU-OXO-DIIRON, SULFATE ION, hemerythrin-like domain protein DcrH | Authors: | Isaza, C.E, Silaghi-Dumitrescu, R, Iyer, R.B, Kurtz, D.M, Chan, M.K. | Deposit date: | 2005-08-30 | Release date: | 2006-08-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structural Basis for O(2) Sensing by the Hemerythrin-like Domain of a Bacterial Chemotaxis Protein: Substrate Tunnel and Fluxional N Terminus. Biochemistry, 45, 2006
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2AV5
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![BU of 2av5 by Molmil](/molmil-images/mine/2av5) | Crystal structure of Pyrococcus furiosus Pop5, an archaeal Ribonuclease P protein | Descriptor: | Ribonuclease P protein component 2 | Authors: | Wilson, R.C, Bohlen, C.J, Foster, M.P, Bell, C.E. | Deposit date: | 2005-08-29 | Release date: | 2006-01-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structure of Pfu Pop5, an archaeal RNase P protein. Proc.Natl.Acad.Sci.Usa, 103, 2006
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5A6W
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![BU of 5a6w by Molmil](/molmil-images/mine/5a6w) | Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikD with the HMA domain of Pikp1 from rice (Oryza sativa) | Descriptor: | 1,2-ETHANEDIOL, AVR-PIK PROTEIN, RESISTANCE PROTEIN PIKP-1, ... | Authors: | Maqbool, A, Saitoh, H, Franceschetti, M, Stevenson, C.E, Uemura, A, Kanzaki, H, Kamoun, S, Terauchi, R, Banfield, M.J. | Deposit date: | 2015-07-01 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis of pathogen recognition by an integrated HMA domain in a plant NLR immune receptor. Elife, 4, 2015
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5A76
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1HIG
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![BU of 1hig by Molmil](/molmil-images/mine/1hig) | THREE-DIMENSIONAL STRUCTURE OF RECOMBINANT HUMAN INTERFERON-GAMMA. | Descriptor: | INTERFERON-GAMMA | Authors: | Ealick, S.E, Cook, W.J, Vijay-Kumar, S, Carson, M, Nagabhushan, T.L, Trotta, P.P, Bugg, C.E. | Deposit date: | 1991-10-03 | Release date: | 1992-04-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Three-dimensional structure of recombinant human interferon-gamma. Science, 252, 1991
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5A6P
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![BU of 5a6p by Molmil](/molmil-images/mine/5a6p) | Heavy metal associated domain of NLR-type immune receptor Pikp1 from rice (Oryza sativa) | Descriptor: | RESISTANCE PROTEIN PIKP-1 | Authors: | Maqbool, A, Saitoh, H, Franceschetti, M, Stevenson, C.E, Uemura, A, Kanzaki, H, Kamoun, S, Terauchi, R, Banfield, M.J. | Deposit date: | 2015-06-30 | Release date: | 2015-08-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of pathogen recognition by an integrated HMA domain in a plant NLR immune receptor. Elife, 4, 2015
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6VH7
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![BU of 6vh7 by Molmil](/molmil-images/mine/6vh7) | Doublet Tau Fibril from Corticobasal Degeneration Human Brain Tissue | Descriptor: | Microtubule-associated protein tau | Authors: | Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P. | Deposit date: | 2020-01-09 | Release date: | 2020-03-04 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains. Cell, 180, 2020
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1J4E
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![BU of 1j4e by Molmil](/molmil-images/mine/1j4e) | FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE COVALENTLY BOUND TO THE SUBSTRATE DIHYDROXYACETONE PHOSPHATE | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, FRUCTOSE-BISPHOSPHATE ALDOLASE A | Authors: | Choi, K.H, Shi, J, Hopkins, C.E, Tolan, D.R, Allen, K.N. | Deposit date: | 2001-09-19 | Release date: | 2002-02-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Snapshots of catalysis: the structure of fructose-1,6-(bis)phosphate aldolase covalently bound to the substrate dihydroxyacetone phosphate. Biochemistry, 40, 2001
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2IWN
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![BU of 2iwn by Molmil](/molmil-images/mine/2iwn) | 3rd PDZ domain of Multiple PDZ Domain Protein MPDZ | Descriptor: | MULTIPLE PDZ DOMAIN PROTEIN | Authors: | Elkins, J.M, Gileadi, C, Savitsky, P, Berridge, G, Smee, C.E.A, Pike, A.C.W, Papagrigoriou, E, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.A. | Deposit date: | 2006-07-03 | Release date: | 2006-07-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure of Pick1 and Other Pdz Domains Obtained with the Help of Self-Binding C-Terminal Extension. Protein Sci., 16, 2007
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2IWY
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![BU of 2iwy by Molmil](/molmil-images/mine/2iwy) | Human mitochondrial beta-ketoacyl ACP synthase | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE, AMMONIUM ION | Authors: | Christensen, C.E, Kragelund, B.B, von Wettstein-Knowles, P, Henriksen, A. | Deposit date: | 2006-07-05 | Release date: | 2007-02-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structure of the Human Beta-Ketoacyl [Acp] Synthase from the Mitochondrial Type II Fatty Acid Synthase. Protein Sci., 16, 2007
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6V3E
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6XC9
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![BU of 6xc9 by Molmil](/molmil-images/mine/6xc9) | Immune receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Tran, T.M, Faridi, P, Lim, J.J, Ting, T.Y, Onwukwe, G, Bhattacharjee, P, Tresoldi, M.C.E, Cameron, J.F, La-Gruta, L.N, Purcell, W.A, Mannering, I.S, Rossjohn, J, Reid, H.H. | Deposit date: | 2020-06-08 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | T cell receptor recognition of hybrid insulin peptides bound to HLA-DQ8. Nat Commun, 12, 2021
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