4C6U
 
 | | Crystal structure of M. tuberculosis KasA in complex with TLM5 | | Descriptor: | (5R)-3-acetyl-4-hydroxy-5-methyl-5-[(1Z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one, 1,2-ETHANEDIOL, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, ... | | Authors: | Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-09-19 | | Release date: | 2013-10-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
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5CV1
 | | C. elegans PGL-1 Dimerization Domain | | Descriptor: | P granule abnormality protein 1 | | Authors: | Aoki, S.T, Bingman, C.A, Wickens, M, Kimble, J.E. | | Deposit date: | 2015-07-25 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.599 Å) | | Cite: | PGL germ granule assembly protein is a base-specific, single-stranded RNase.
Proc.Natl.Acad.Sci.USA, 113, 2016
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2AYW
 | | Crystal Structure of the complex formed between trypsin and a designed synthetic highly potent inhibitor in the presence of benzamidine at 0.97 A resolution | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, BENZAMIDINE, ... | | Authors: | Sherawat, M, Kaur, P, Perbandt, M, Betzel, C, Slusarchyk, W.A, Bisacchi, G.S, Chang, C, Jacobson, B.L, Einspahr, H.M, Singh, T.P. | | Deposit date: | 2005-09-09 | | Release date: | 2006-01-17 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Structure of the complex of trypsin with a highly potent synthetic inhibitor at 0.97 A resolution.
Acta Crystallogr.,Sect.D, 63, 2007
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4Z23
 | | BspA_C_WT | | Descriptor: | 1,2-ETHANEDIOL, Cell wall surface anchor protein | | Authors: | Race, P, Rego, S. | | Deposit date: | 2015-03-28 | | Release date: | 2016-06-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | BspA_C_WT
To Be Published
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5T9W
 | | Discovery of a Potent Cyclophilin Inhibitor (Compound 5) based on Structural Simplification of Sanglifehrin A | | Descriptor: | 3-[(3-hydroxyphenyl)methyl]-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Steadman, V, Pettit, P, Schmitz, U, Mackman, R.L, Schultz, B. | | Deposit date: | 2016-09-09 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
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1AF4
 | | CRYSTAL STRUCTURE OF SUBTILISIN CARLSBERG IN ANHYDROUS DIOXANE | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, CALCIUM ION, SUBTILISIN CARLSBERG | | Authors: | Schmitke, J.L, Stern, L.J, Klibanov, A.M. | | Deposit date: | 1997-03-21 | | Release date: | 1997-06-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The crystal structure of subtilisin Carlsberg in anhydrous dioxane and its comparison with those in water and acetonitrile.
Proc.Natl.Acad.Sci.USA, 94, 1997
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6L71
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4RYX
 | | Crystal structure of RPE65 in complex with emixustat and palmitate, P6522 crystal form | | Descriptor: | (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, FE (II) ION, ... | | Authors: | Kiser, P.D, Palczewski, K. | | Deposit date: | 2014-12-17 | | Release date: | 2015-05-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular pharmacodynamics of emixustat in protection against retinal degeneration.
J.Clin.Invest., 125, 2015
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2VOT
 | | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | | Descriptor: | (5R,6R,7S,8R)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | | Authors: | Tailford, L.N, Offen, W.A, Smith, N, Dumon, C, Moreland, C, Gratien, J, Heck, M.-P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2008-02-20 | | Release date: | 2008-04-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
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5TLX
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 3,4-bis(4-hydroxyphenyl)thiophene 1,1-dioxide | | Descriptor: | 3,4-bis(4-hydroxyphenyl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione, 3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine, Estrogen receptor, ... | | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-12 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5TBC
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3RGX
 | | Structural insight into brassinosteroid perception by BRI1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chai, J, Han, Z, She, J, Wang, J, Cheng, W, Wang, J. | | Deposit date: | 2011-04-11 | | Release date: | 2011-06-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structural insight into brassinosteroid perception by BRI1.
Nature, 474, 2011
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5W8V
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168L
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3G36
 | | Crystal structure of the human DPY-30-like C-terminal domain | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | | Authors: | Wang, X, Lou, Z, Bartlam, M, Rao, Z. | | Deposit date: | 2009-02-02 | | Release date: | 2009-06-30 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of the C-terminal domain of human DPY-30-like protein: A component of the histone methyltransferase complex
J.Mol.Biol., 390, 2009
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4RQR
 | | Crystal Structure of Human Glutaredoxin with MESNA | | Descriptor: | 1-THIOETHANESULFONIC ACID, Glutaredoxin-1 | | Authors: | Badger, J, Sridhar, V, Logan, C, Hausheer, F.H, Nienaber, V.L. | | Deposit date: | 2014-11-04 | | Release date: | 2015-04-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Cysteine Specific Targeting of the Functionally Distinct Peroxiredoxin and Glutaredoxin Proteins by the Investigational Disulfide BNP7787.
Molecules, 20, 2015
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1OF4
 | | Structural and thermodynamic dissection of specific mannan recognition by a carbohydrate-binding module, TmCBM27 | | Descriptor: | BETA-MANNOSIDASE, CALCIUM ION, GLYCEROL, ... | | Authors: | Boraston, A.B, Revett, T.J, Boraston, C.M, Nurizzo, D, Davies, G.J. | | Deposit date: | 2003-04-07 | | Release date: | 2003-04-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Thermodynamic Dissection of Specific Mannan Recognition by a Carbohydrate Binding Module, Tmcbm27
Structure, 11, 2003
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5YQN
 | | Crystal structure of Sirt2 in complex with selective inhibitor L55 | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Wang, H, Yu, Y, Li, G, Chen, Q. | | Deposit date: | 2017-11-07 | | Release date: | 2018-10-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
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4AF3
 | | Human Aurora B Kinase in complex with INCENP and VX-680 | | Descriptor: | AURORA KINASE B, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, INNER CENTROMERE PROTEIN | | Authors: | Elkins, J.M, Vollmar, M, Wang, J, Picaud, S, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Knapp, S. | | Deposit date: | 2012-01-16 | | Release date: | 2012-04-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal Structure of Human Aurora B in Complex with Incenp and Vx-680.
J.Med.Chem., 55, 2012
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7JSN
 | | Structure of the Visual Signaling Complex between Transducin and Phosphodiesterase 6 | | Descriptor: | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE, GUANOSINE-3',5'-MONOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Gao, Y, Eskici, G, Ramachandran, S, Skiniotis, G, Cerione, R.A. | | Deposit date: | 2020-08-15 | | Release date: | 2020-10-21 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure of the Visual Signaling Complex between Transducin and Phosphodiesterase 6.
Mol.Cell, 80, 2020
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6LOP
 | | Crystal Structure of Class IB terpene synthase bound with geranylgeraniol | | Descriptor: | (2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol, Tetraprenyl-beta-curcumene synthase | | Authors: | Fujihashi, M, Inagi, H, Miki, K. | | Deposit date: | 2020-01-07 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Characterization of Class IB Terpene Synthase: The First Crystal Structure Bound with a Substrate Surrogate.
Acs Chem.Biol., 15, 2020
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5YT6
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2B7A
 | | The structural basis of Janus Kinase 2 inhibition by a potent and specific pan-Janus kinase inhibitor | | Descriptor: | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Tyrosine-protein kinase JAK2 | | Authors: | Lucet, I.S, Fantino, E, Styles, M, Bamert, R, Patel, O, Broughton, S.E, Walter, M, Burns, C.J, Treutlein, H, Wilks, A.F, Rossjohn, J. | | Deposit date: | 2005-10-04 | | Release date: | 2006-01-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structural basis of Janus kinase 2 inhibition by a potent and specific pan-Janus kinase inhibitor.
Blood, 107, 2006
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2VOW
 | | An oxidized tryptophan facilitates copper-binding in Methylococcus capsulatus secreted protein MopE. The structure of recombinant MopE to 1.65AA | | Descriptor: | CALCIUM ION, GLYCEROL, SURFACE-ASSOCIATED PROTEIN | | Authors: | Helland, R, Fjellbirkeland, A, Karlsen, O.A, Ve, T, Lillehaug, J.R, Jensen, H.B. | | Deposit date: | 2008-02-22 | | Release date: | 2008-03-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | An Oxidized Tryptophan Facilitates Copper Binding in Methylococcus Capsulatus-Secreted Protein Mope.
J.Biol.Chem., 283, 2008
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7C7M
 | | The structure of SAM-bound CntL, an aminobutyrate transferase in staphylopine biosysnthesis | | Descriptor: | 1,2-ETHANEDIOL, S-ADENOSYLMETHIONINE, Staphylopine biosynthesis enzyme CntL | | Authors: | Luo, Z, Luo, S, Zhou, H. | | Deposit date: | 2020-05-26 | | Release date: | 2021-04-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural insights into the ligand recognition and catalysis of the key aminobutanoyltransferase CntL in staphylopine biosynthesis.
Faseb J., 35, 2021
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