6RZ6
 
 | | Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2570366 (C2221 space group) | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid, CHOLESTEROL, ... | | Authors: | Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V. | | Deposit date: | 2019-06-12 | | Release date: | 2019-12-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors.
Nat Commun, 10, 2019
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1GZU
 | | Crystal Structure of Human Nicotinamide Mononucleotide Adenylyltransferase in Complex with NMN | | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE | | Authors: | Werner, E, Ziegler, M, Lerner, F, Schweiger, M, Heinemann, U. | | Deposit date: | 2002-06-06 | | Release date: | 2002-07-05 | | Last modified: | 2018-06-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of human nicotinamide mononucleotide adenylyltransferase in complex with NMN.
FEBS Lett., 516, 2002
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5L7I
 | | Structure of human Smoothened in complex with Vismodegib | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, SODIUM ION, ... | | Authors: | Byrne, E.X.B, Sircar, R, Miller, P.S, Hedger, G, Luchetti, G, Nachtergaele, S, Tully, M.D, Mydock-McGrane, L, Covey, D.F, Rambo, R.F, Sansom, M.S.P, Newstead, S, Rohatgi, R, Siebold, C. | | Deposit date: | 2016-06-03 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis of Smoothened regulation by its extracellular domains.
Nature, 535, 2016
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4TQI
 | | Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid in a dual binding mode | | Descriptor: | (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, GLYCEROL, Transthyretin | | Authors: | Stura, E.A, Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E. | | Deposit date: | 2014-06-11 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
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6G4D
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2XZ6
 | | MTSET-modified Y53C mutant of Aplysia AChBP | | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Brams, M, Gay, E.A, Colon Saez, J, Guskov, A, Van Elk, R, Van Der Schors, R.C, Peigneur, S, Tytgat, J, Strelkov, S.V, Smit, A.B, Yakel, J.L, Ulens, C. | | Deposit date: | 2010-11-23 | | Release date: | 2010-12-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.137 Å) | | Cite: | Crystal Structures of a Cysteine-Modified Mutant in Loop D of Acetylcholine Binding Protein
J.Biol.Chem., 286, 2011
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4TNN
 | | Crystal structure of Escherichia coli protein YodA in complex with Ni - artifact of purification. | | Descriptor: | Metal-binding lipocalin, NICKEL (II) ION, SULFATE ION | | Authors: | Gasiorowska, O.A, Cymborowski, M.T, Handing, K.B, Shabalin, I.G, Zasadzinska, E, Niedzialkowska, E, Porebski, P.J, Minor, W. | | Deposit date: | 2014-06-04 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | Protein purification and crystallization artifacts: The tale usually not told.
Protein Sci., 25, 2016
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8EK5
 | | Engineered scFv 10LH bound to PHOX2B/HLA-A24:02 | | Descriptor: | 10LH single chain fragment variable (scFv), Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Garfinkle, S.E, Florio, T.J, Sgourakis, N.G. | | Deposit date: | 2022-09-20 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structural principles of peptide-centric chimeric antigen receptor recognition guide therapeutic expansion.
Sci Immunol, 8, 2023
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6RV2
 | | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ... | | Authors: | Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-05-30 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
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6S5Z
 | | Structure of Rib R28N from Streptococcus pyogenes | | Descriptor: | SODIUM ION, Surface protein R28 | | Authors: | Whelan, F, Griffiths, S.C, Whittingham, J.L, Bateman, A, Potts, J.R. | | Deposit date: | 2019-07-02 | | Release date: | 2019-12-11 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Defining the remarkable structural malleability of a bacterial surface protein Rib domain implicated in infection.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5HES
 | | Human leucine zipper- and sterile alpha motif-containing kinase (ZAK, MLT, HCCS-4, MRK, AZK, MLTK) in complex with vemurafenib | | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase MLT, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide | | Authors: | Mathea, S, Salah, E, Abdul Azeez, K.R, Tallant, C, Szklarz, M, Chaikuad, A, Shrestha, B, Sorrell, F.J, Elkins, J.M, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | | Deposit date: | 2016-01-06 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structure of the Human Protein Kinase ZAK in Complex with Vemurafenib.
Acs Chem.Biol., 11, 2016
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6AY1
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2VB7
 | | beta-ketoacyl-ACP synthase I (KAS) from E. coli, apo structure after soak in PEG solution | | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1 | | Authors: | Pappenberger, G, Schulz-Gasch, T, Bailly, J, Hennig, M. | | Deposit date: | 2007-09-06 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Assisted Discovery of an Aminothiazole Derivative as a Lead Molecule for Inhibition of Bacterial Fatty-Acid Synthesis.
Acta Crystallogr.,Sect.D, 63, 2007
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6R5K
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5AIU
 | | A complex of RNF4-RING domain, Ubc13-Ub (isopeptide crosslink) | | Descriptor: | 1,2-ETHANEDIOL, E3 UBIQUITIN-PROTEIN LIGASE RNF4, POLYUBIQUITIN-C, ... | | Authors: | Branigan, E, Naismith, J.H. | | Deposit date: | 2015-02-17 | | Release date: | 2015-07-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural Basis for the Ring Catalyzed Synthesis of K63 Linked Ubiquitin Chains
Nat.Struct.Mol.Biol., 22, 2015
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7C8H
 | | Ambient temperature structure of Bifidobacterium longum phosphoketolase with thiamine diphosphate | | Descriptor: | (2S)-2-hydroxybutanedioic acid, CALCIUM ION, MALONIC ACID, ... | | Authors: | Nakata, K, Kashiwagi, T, Nango, E, Miyano, H, Mizukoshi, T, Iwata, S. | | Deposit date: | 2020-06-01 | | Release date: | 2021-06-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ambient temperature structure of phosphoketolase from Bifidobacterium longum determined by serial femtosecond X-ray crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
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1Y1K
 | | Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 T58A mutant | | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | | Deposit date: | 2004-11-18 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
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1Y3F
 | | Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 F69A mutant | | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | | Deposit date: | 2004-11-24 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
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2HDN
 | | Trypsin-modified Elongation Factor Tu in complex with tetracycline at 2.8 Angstrom resolution | | Descriptor: | Elongation factor EF-Tu, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Mui, S, Heffron, S.E, Aorora, A, Abel, K, Bergmann, E, Jurnak, F. | | Deposit date: | 2006-06-20 | | Release date: | 2006-10-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Molecular complementarity between tetracycline and the GTPase active site of elongation factor Tu.
Acta Crystallogr.,Sect.D, 62, 2006
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7LJC
 | | Allosteric modulator LY3154207 binding to SKF-81297-bound dopamine receptor 1 in complex with miniGs protein | | Descriptor: | (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, ... | | Authors: | Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E. | | Deposit date: | 2021-01-28 | | Release date: | 2021-03-03 | | Last modified: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor.
Cell Res., 31, 2021
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7LJD
 | | Allosteric modulator LY3154207 binding to dopamine-bound dopamine receptor 1 in complex with miniGs protein | | Descriptor: | 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ... | | Authors: | Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E. | | Deposit date: | 2021-01-28 | | Release date: | 2021-03-03 | | Last modified: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor.
Cell Res., 31, 2021
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1GYD
 | | Structure of Cellvibrio cellulosa alpha-L-arabinanase | | Descriptor: | ARABINAN ENDO-1,5-ALPHA-L-ARABINOSIDASE A | | Authors: | Nurizzo, D, Turkenburg, J.P, Charnock, S.J, Roberts, S.M, Dodson, E.J, McKie, V.A, Taylor, E.J, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2002-04-23 | | Release date: | 2002-08-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Cellvibrio japonicus alpha-L-arabinanase 43A has a novel five-blade beta-propeller fold.
Nat. Struct. Biol., 9, 2002
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4TWT
 | | Human TNFa dimer in complex with the semi-synthetic bicyclic peptide M21 | | Descriptor: | (2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol, ALA-CYS-PRO-PRO-CYS-LEU-TRP-GLN-VAL-LEU-CYS-GLY, GLYCEROL, ... | | Authors: | Luzi, S, Kondo, Y, Bernard, E, Stadler, L, Winter, G, Holliger, P. | | Deposit date: | 2014-07-01 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Subunit disassembly and inhibition of TNF alpha by a semi-synthetic bicyclic peptide.
Protein Eng.Des.Sel., 28, 2015
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4XLR
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2GMK
 | | Crystal structure of onconase double mutant with spontaneously-assembled (AMP) 4 stack | | Descriptor: | ADENOSINE MONOPHOSPHATE, P-30 protein | | Authors: | Bae, E, Lee, J.E, Raines, R.T, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2006-04-06 | | Release date: | 2006-04-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural basis for catalysis by onconase.
J.Mol.Biol., 375, 2008
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