1PF5
 
 | | Structural Genomics, Protein YJGH | | Descriptor: | Hypothetical protein yjgH, MERCURY (II) ION | | Authors: | Zhang, R, Joachimiak, A, Edwards, A, Savchenko, A, Xu, L, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2003-05-23 | | Release date: | 2003-12-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The 2.5A crystal structure of protein YJGH from E. Coli
To be Published
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5U3F
 | | Structure of Mycobacterium tuberculosis IlvE, a branched-chain amino acid transaminase, in complex with D-cycloserine derivative | | Descriptor: | (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Branched-chain-amino-acid aminotransferase | | Authors: | Favrot, L, Amorim Franco, T.M, Blanchard, J.S. | | Deposit date: | 2016-12-02 | | Release date: | 2017-03-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.695 Å) | | Cite: | Mechanism-Based Inhibition of the Mycobacterium tuberculosis Branched-Chain Aminotransferase by d- and l-Cycloserine.
ACS Chem. Biol., 12, 2017
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5U4H
 | | 1.05 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Acinetobacter baumannii in Covalently Bound Complex with (2R)-2-(phosphonooxy)propanoic Acid. | | Descriptor: | (2R)-2-(phosphonooxy)propanoic acid, FORMIC ACID, SODIUM ION, ... | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-12-04 | | Release date: | 2016-12-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | 1.05 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Acinetobacter baumannii in Covalently Bound Complex with (2R)-2-(phosphonooxy)propanoic Acid.
To Be Published
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7QUW
 | | CVB3-3Cpro in complex with inhibitor MG-78 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, Protease 3C | | Authors: | Zhang, L, Hilgenfeld, R. | | Deposit date: | 2022-01-19 | | Release date: | 2022-03-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
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1PIG
 | | PIG PANCREATIC ALPHA-AMYLASE COMPLEXED WITH THE OLIGOSACCHARIDE V-1532 | | Descriptor: | 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, 5-HYDROXYMETHYL-CHONDURITOL, ... | | Authors: | Machius, M, Vertesy, L, Huber, R, Wiegand, G. | | Deposit date: | 1996-06-15 | | Release date: | 1996-12-07 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Carbohydrate and protein-based inhibitors of porcine pancreatic alpha-amylase: structure analysis and comparison of their binding characteristics.
J.Mol.Biol., 260, 1996
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1K3G
 | | NMR Solution Structure of Oxidized Cytochrome c-553 from Bacillus pasteurii | | Descriptor: | HEME C, cytochrome c-553 | | Authors: | Banci, L, Bertini, I, Ciurli, S, Dikiy, A, Dittmer, J, Rosato, A, Sciara, G, Thompsett, A.R. | | Deposit date: | 2001-10-03 | | Release date: | 2001-10-31 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure, backbone mobility, and homology modeling of c-type cytochromes from gram-positive bacteria.
Chembiochem, 3, 2002
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5U1S
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4DHP
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2012-01-30 | | Release date: | 2013-07-31 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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1PG7
 | | Murine 6A6 Fab in complex with humanized anti-Tissue Factor D3H44 Fab | | Descriptor: | humanized antibody D3H44, murine antibody 6A6 Fab fragment | | Authors: | Eigenbrot, C, Meng, Y.G, Krishnamurthy, R, Lipari, M.T, Presta, L, Devaux, B, Wong, T, Moran, P, Bullens, S, Kirchhofer, D. | | Deposit date: | 2003-05-27 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insight into how an anti-idiotypic antibody against D3H44 (anti-tissue factor antibody) restores normal coagulation.
J.Mol.Biol., 331, 2003
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1PGV
 | | Structural Genomics of Caenorhabditis elegans: tropomodulin C-terminal domain | | Descriptor: | tropomodulin TMD-1 | | Authors: | Symersky, J, Lu, S, Li, S, Chen, L, Meehan, E, Luo, M, Qiu, S, Bunzel, R.J, Luo, D, Arabashi, A, Nagy, L.A, Lin, G, Luan, W.C.-H, Carson, M, Gray, R, Huang, W, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2003-05-28 | | Release date: | 2003-06-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural genomics of Caenorhabditis elegans: crystal structure of the tropomodulin C-terminal domain
Proteins, 56, 2004
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5TVY
 | | Computationally Designed Fentanyl Binder - Fen49 | | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Endo-1,4-beta-xylanase A | | Authors: | Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, M.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D. | | Deposit date: | 2016-11-10 | | Release date: | 2017-10-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Computational design of environmental sensors for the potent opioid fentanyl.
Elife, 6, 2017
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5TW9
 | | 1.50 Angstrom Crystal Structure of C-terminal Fragment (residues 322-384) of Iron Uptake System Component EfeO from Yersinia pestis. | | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, Iron uptake system component EfeO | | Authors: | Minasov, G, Shuvalova, L, Flores, K, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-11-11 | | Release date: | 2016-11-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 1.50 Angstrom Crystal Structure of C-terminal Fragment (residues 322-384) of Iron Uptake System Component EfeO from Yersinia pestis.
To Be Published
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5U0P
 | | Cryo-EM structure of the transcriptional Mediator | | Descriptor: | Mediator complex subunit 10, Mediator complex subunit 11, Mediator complex subunit 14, ... | | Authors: | Tsai, K.-L, Yu, X, Gopalan, S, Chao, T.-C, Zhang, Y, Florens, L, Washburn, M.P, Murakami, K, Conaway, R.C, Conaway, J.W, Asturias, F. | | Deposit date: | 2016-11-26 | | Release date: | 2017-03-08 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Mediator structure and rearrangements required for holoenzyme formation.
Nature, 544, 2017
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6EYM
 | | Neutron crystal structure of perdeuterated galectin-3C in complex with lactose | | Descriptor: | Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Manzoni, F, Coates, L, Blakeley, M.P, Oksanen, E, Logan, D.T. | | Deposit date: | 2017-11-13 | | Release date: | 2018-09-12 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | | Cite: | Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design.
J. Med. Chem., 61, 2018
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1KIO
 | | SOLUTION STRUCTURE OF THE SMALL SERINE PROTEASE INHIBITOR SGCI[L30R, K31M] | | Descriptor: | SERINE PROTEASE INHIBITOR I | | Authors: | Gaspari, Z, Patthy, A, Graf, L, Perczel, A. | | Deposit date: | 2001-12-03 | | Release date: | 2001-12-12 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | Comparative structure analysis of proteinase inhibitors from the desert locust, Schistocerca gregaria.
Eur.J.Biochem., 269, 2002
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1PDV
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1PDW
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5UCA
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7QFX
 | | Crystal structure of Old Yellow Enzyme AnOYE8 from Aspergillus niger | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, FLAVIN MONONUCLEOTIDE, NADH-dependent flavin oxidoreductase, ... | | Authors: | Robescu, M.S, Loprete, G, Vascon, F, Gasparotto, M, Filippini, F, Bergantino, E, Cendron, L. | | Deposit date: | 2021-12-06 | | Release date: | 2022-04-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Family Keeps on Growing: Four Novel Fungal OYEs Characterized.
Int J Mol Sci, 23, 2022
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1I9E
 | | TCR DOMAIN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTOTOXIC TCELL VALPHA DOMAIN | | Authors: | Rudolph, M.G, Huang, M, Teyton, L, Wilson, I.A. | | Deposit date: | 2001-03-19 | | Release date: | 2001-12-05 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of an isolated V(alpha) domain of the 2C T-cell receptor.
J.Mol.Biol., 314, 2001
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6F6T
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7QYN
 | | Mus musculus acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-01-28 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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1PJ0
 | | RIBONUCLEOTIDE REDUCTASE R2-D84E/W48F MUTANT SOAKED WITH FERROUS IONS AT NEUTRAL PH | | Descriptor: | FE (III) ION, MERCURY (II) ION, Ribonucleoside-diphosphate reductase 1 beta chain | | Authors: | Voegtli, W.C, Sommerhalter, M, Saleh, L, Baldwin, J, Bollinger Jr, J.M, Rosenzweig, A.C. | | Deposit date: | 2003-05-30 | | Release date: | 2004-01-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Variable coordination geometries at the diiron(II) active site of ribonucleotide reductase R2.
J.Am.Chem.Soc., 125, 2003
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1I3V
 | | THREE-DIMENSIONAL STRUCTURE OF A LAMA VHH DOMAIN UNLIGANDED | | Descriptor: | ANTIBODY VHH LAMA DOMAIN | | Authors: | Spinelli, S, Tegoni, M, Frenken, L, van Vliet, C, Cambillau, C. | | Deposit date: | 2001-02-16 | | Release date: | 2001-08-08 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Lateral recognition of a dye hapten by a llama VHH domain.
J.Mol.Biol., 311, 2001
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1PIZ
 | | RIBONUCLEOTIDE REDUCTASE R2 D84E MUTANT SOAKED WITH FERROUS IONS AT NEUTRAL PH | | Descriptor: | FE (III) ION, MERCURY (II) ION, Ribonucleoside-diphosphate reductase 1 beta chain | | Authors: | Voegtli, W.C, Sommerhalter, M, Saleh, L, Baldwin, J, Bollinger Jr, J.M, Rosenzweig, A.C. | | Deposit date: | 2003-05-30 | | Release date: | 2004-01-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Variable coordination geometries at the diiron(II) active site of ribonucleotide reductase R2.
J.Am.Chem.Soc., 125, 2003
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