1BUD
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![BU of 1bud by Molmil](/molmil-images/mine/1bud) | ACUTOLYSIN A FROM SNAKE VENOM OF AGKISTRODON ACUTUS AT PH 5.0 | Descriptor: | CALCIUM ION, PROTEIN (ACUTOLYSIN A), ZINC ION | Authors: | Gong, W, Zhu, X, Liu, S, Teng, M, Niu, L. | Deposit date: | 1998-09-03 | Release date: | 1999-09-07 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of acutolysin A, a three-disulfide hemorrhagic zinc metalloproteinase from the snake venom of Agkistrodon acutus. J.Mol.Biol., 283, 1998
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8HPE
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![BU of 8hpe by Molmil](/molmil-images/mine/8hpe) | Crystal structure of Leucine dehydrogenase | Descriptor: | GLYCEROL, Leucine dehydrogenase, SULFATE ION | Authors: | Li, X, Song, W. | Deposit date: | 2022-12-12 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | A Tri-Enzyme Cascade for Efficient Production of L-2-Aminobutyrate from L-Threonine. Chembiochem, 24, 2023
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8HR6
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![BU of 8hr6 by Molmil](/molmil-images/mine/8hr6) | |
6Y9B
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![BU of 6y9b by Molmil](/molmil-images/mine/6y9b) | |
1BJO
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1BSK
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![BU of 1bsk by Molmil](/molmil-images/mine/1bsk) | ZINC DEFORMYLASE INHIBITOR COMPLEX FROM E.COLI | Descriptor: | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-P-NITROANILIDE, PHOSPHATE ION, PROTEIN (PEPTIDE DEFORMYLASE), ... | Authors: | Hao, B, Gong, W, Rajagopalan, P.T, Hu, Y, Pei, D, Chan, M.K. | Deposit date: | 1998-08-28 | Release date: | 2000-04-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for the design of antibiotics targeting peptide deformylase. Biochemistry, 38, 1999
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6X5Z
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![BU of 6x5z by Molmil](/molmil-images/mine/6x5z) | Bovine Cardiac Myosin in Complex with Chicken Skeletal Actin and Human Cardiac Tropomyosin in the Rigor State | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Doran, M.H, Lehman, W, Rynkiewicz, M.J, Bullitt, E. | Deposit date: | 2020-05-27 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.24 Å) | Cite: | Cryo-EM and Molecular Docking Shows Myosin Loop 4 Contacts Actin and Tropomyosin on Thin Filaments. Biophys.J., 119, 2020
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6SKS
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6SI5
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![BU of 6si5 by Molmil](/molmil-images/mine/6si5) | T. cruzi FPPS in complex with 1-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbonyl)pyridin-2(1H)-one | Descriptor: | 5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one, Farnesyl diphosphate synthase, SULFATE ION | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W. | Deposit date: | 2019-08-08 | Release date: | 2020-08-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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6SII
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6XA1
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6XVG
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![BU of 6xvg by Molmil](/molmil-images/mine/6xvg) | Human Sirt6 3-318 in complex with ADP-ribose and the activator MDL-801 | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, ... | Authors: | You, W, Steegborn, C. | Deposit date: | 2020-01-22 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding site for activator MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
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6XV6
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![BU of 6xv6 by Molmil](/molmil-images/mine/6xv6) | Human Sirt6 3-318 in complex with ADP-ribose | Descriptor: | GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, NICOTINAMIDE, ... | Authors: | You, W, Steegborn, C. | Deposit date: | 2020-01-21 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Binding site for activator MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
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1BS9
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![BU of 1bs9 by Molmil](/molmil-images/mine/1bs9) | ACETYLXYLAN ESTERASE FROM P. PURPUROGENUM REFINED AT 1.10 ANGSTROMS | Descriptor: | ACETYL XYLAN ESTERASE, SULFATE ION | Authors: | Ghosh, D, Erman, M, Sawicki, M.W, Lala, P, Weeks, D.R, Li, N, Pangborn, W, Thiel, D.J, Jornvall, H, Eyzaguirre, J. | Deposit date: | 1998-09-01 | Release date: | 1999-05-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Determination of a protein structure by iodination: the structure of iodinated acetylxylan esterase. Acta Crystallogr.,Sect.D, 55, 1999
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6XK0
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![BU of 6xk0 by Molmil](/molmil-images/mine/6xk0) | Albumin-dexamethasone complex | Descriptor: | Albumin, CITRATE ANION, DEXAMETHASONE, ... | Authors: | Czub, M.P, Majorek, K.A, Shabalin, I.G, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2020-06-24 | Release date: | 2020-07-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular determinants of vascular transport of dexamethasone in COVID-19 therapy. Iucrj, 7, 2020
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6XE4
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![BU of 6xe4 by Molmil](/molmil-images/mine/6xe4) | BTK Fluorocyclopropyl amide inhibitor, Compound 25 | Descriptor: | (1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | Authors: | Kiefer, J.R, Crawford, J.J, Lee, W, Eigenbrot, C, Yu, C. | Deposit date: | 2020-06-11 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity. Acs Med.Chem.Lett., 11, 2020
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6SQJ
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![BU of 6sqj by Molmil](/molmil-images/mine/6sqj) | Crystal structure of glycoprotein D of Equine Herpesvirus Type 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein D, ... | Authors: | Kremling, V, Loll, B, Azab, W, Osterrieder, N, Dahmani, I, Chiantia, P, Wahl, M. | Deposit date: | 2019-09-04 | Release date: | 2020-09-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.245 Å) | Cite: | Crystal structures of glycoprotein D of equine alphaherpesviruses reveal potential binding sites to the entry receptor MHC-I. Front Microbiol, 14, 2023
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6SXX
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![BU of 6sxx by Molmil](/molmil-images/mine/6sxx) | Crystal structure of the bromodomain of human CREBBP in complex with ACA007 | Descriptor: | (3~{R})-1-ethanoylpyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, CREBBP | Authors: | Xiang, W, Bedi, R.K, Sledz, P, Caflisch, A. | Deposit date: | 2019-09-26 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal structure of the bromodomain of human CREBBP in complex with ACA007 To Be Published
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6T13
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![BU of 6t13 by Molmil](/molmil-images/mine/6t13) | CRYSTAL STRUCTURE OF GLUCOCEREBROSIDASE IN COMPLEX WITH A PYRROLOPYRAZINE | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Benz, J, Ehler, A, Hug, M, Huber, S, Rufer, A.C, Guba, W, Jagasia, R, Hofmann, E.C, Rodriguez Sarmiento, R.M. | Deposit date: | 2019-10-03 | Release date: | 2020-12-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Novel beta-Glucocerebrosidase Activators That Bind to a New Pocket at a Dimer Interface and Induce Dimerization. Angew.Chem.Int.Ed.Engl., 60, 2021
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6SHV
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![BU of 6shv by Molmil](/molmil-images/mine/6shv) | T. cruzi FPPS in complex with 5-(4-fluorophenoxy)pyridin-2-amine | Descriptor: | 5-(4-fluoranylphenoxy)pyridin-2-amine, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W. | Deposit date: | 2019-08-08 | Release date: | 2020-08-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.808 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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1BOO
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![BU of 1boo by Molmil](/molmil-images/mine/1boo) | PVUII DNA METHYLTRANSFERASE (CYTOSINE-N4-SPECIFIC) | Descriptor: | PROTEIN (N-4 CYTOSINE-SPECIFIC METHYLTRANSFERASE PVU II), S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Gong, W, O'Gara, M, Blumenthal, R.M, Cheng, X. | Deposit date: | 1998-07-31 | Release date: | 1998-08-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of pvu II DNA-(cytosine N4) methyltransferase, an example of domain permutation and protein fold assignment. Nucleic Acids Res., 25, 1997
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1BSW
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![BU of 1bsw by Molmil](/molmil-images/mine/1bsw) | ACUTOLYSIN A FROM SNAKE VENOM OF AGKISTRODON ACUTUS AT PH 7.5 | Descriptor: | CALCIUM ION, PROTEIN (ACUTOLYSIN A), ZINC ION | Authors: | Gong, W, Zhu, X, Liu, S, Teng, M, Niu, L. | Deposit date: | 1998-08-31 | Release date: | 1999-08-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structures of acutolysin A, a three-disulfide hemorrhagic zinc metalloproteinase from the snake venom of Agkistrodon acutus. J.Mol.Biol., 283, 1998
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168D
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2BHW
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![BU of 2bhw by Molmil](/molmil-images/mine/2bhw) | PEA LIGHT-HARVESTING COMPLEX II AT 2.5 ANGSTROM RESOLUTION | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-DIDEHYDRO-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-OCTADECAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Standfuss, J, Terwisscha van Scheltinga, A.C, Lamborghini, M, Kuehlbrandt, W. | Deposit date: | 2005-01-19 | Release date: | 2006-05-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanisms of Photoprotection and Nonphotochemical Quenching in Pea Light-Harvesting Complex at 2.5 A Resolution. Embo J., 24, 2005
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1KFX
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![BU of 1kfx by Molmil](/molmil-images/mine/1kfx) | Crystal Structure of Human m-Calpain Form I | Descriptor: | M-CALPAIN LARGE SUBUNIT, M-CALPAIN SMALL SUBUNIT | Authors: | Strobl, S, Fernandez-Catalan, C, Braun, M, Huber, R, Masumoto, H, Nakagawa, K, Irie, A, Sorimachi, H, Bourenkow, G, Bartunik, H, Suzuki, K, Bode, W. | Deposit date: | 2001-11-23 | Release date: | 2001-12-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | The crystal structure of calcium-free human m-calpain suggests an electrostatic switch mechanism for activation by calcium. Proc.Natl.Acad.Sci.USA, 97, 2000
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