1L2I
 
 | | Human Estrogen Receptor alpha Ligand-binding Domain in Complex with (R,R)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol and a Glucocorticoid Receptor Interacting Protein 1 NR box II Peptide | | Descriptor: | (R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL, CHLORIDE ION, ESTROGEN RECEPTOR, ... | | Authors: | Shiau, A.K, Barstad, D, Radek, J.T, Meyers, M.J, Nettles, K.W, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Agard, D.A, Greene, G.L. | | Deposit date: | 2002-02-21 | | Release date: | 2002-05-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural characterization of a subtype-selective ligand reveals a novel mode of estrogen receptor antagonism.
Nat.Struct.Biol., 9, 2002
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3MHI
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-{[(5-nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]methyl}benzenesulfonamide | | Descriptor: | 4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Grazulis, S, Manakova, E, Golovenko, D. | | Deposit date: | 2010-04-08 | | Release date: | 2010-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
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2AXP
 | | X-Ray Crystal Structure of Protein BSU20280 from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR256. | | Descriptor: | hypothetical protein BSU20280 | | Authors: | Forouhar, F, Abashidze, M, Friedman, D, Vorobiev, S.M, Kuzin, A.P, Ciao, M, Conover, K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-09-05 | | Release date: | 2005-09-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the Hypothetical Protein BSU20280 from Bacillus subtilis, NESG target SR256
To be Published
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2APQ
 | | Crystal Structure of an Active Site Mutant of Bovine Pancreatic Ribonuclease A (H119A-RNase A) with a 10-Glutamine expansion in the C-terminal hinge-loop. | | Descriptor: | PHOSPHATE ION, Ribonuclease | | Authors: | Sambashivan, S, Liu, Y, Sawaya, M.R, Gingery, M, Eisenberg, D. | | Deposit date: | 2005-08-16 | | Release date: | 2005-09-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Amyloid-like fibrils of ribonuclease A with three-dimensional domain-swapped and native-like structure.
Nature, 437, 2005
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1LR4
 | | Room Temperature Crystal Structure of the Apo-form of the catalytic subunit of protein kinase CK2 from Zea mays | | Descriptor: | BENZAMIDINE, Protein kinase CK2 | | Authors: | Niefind, K, Puetter, M, Guerra, B, Issinger, O.-G, Schomburg, D. | | Deposit date: | 2002-05-14 | | Release date: | 2002-05-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inclining the purine base binding plane in protein kinase CK2 by exchanging the flanking side-chains generates a preference for ATP as a cosubstrate.
J.Mol.Biol., 347, 2005
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2FJ2
 | | Crystal Structure of Viral Macrophage Inflammatory Protein-II | | Descriptor: | Viral macrophage inflammatory protein-II | | Authors: | Li, Y, Liu, D, Cao, R, Kumar, S, Dong, C.Z, wilson, S.R, Gao, Y.G, Huang, Z. | | Deposit date: | 2005-12-30 | | Release date: | 2006-12-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of chemically synthesized vMIP-II.
Proteins, 67, 2007
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4JGK
 | | Crystal Structure of the evolved variant of the computationally designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR275 | | Descriptor: | evolved variant of a designed serine hydrolase | | Authors: | Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Mao, L, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-03-01 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.883 Å) | | Cite: | Crystal Structure of the evolved variant of the computationally designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR275
To be Published
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1HL3
 | | CtBP/BARS in ternary complex with NAD(H) and PIDLSKK peptide | | Descriptor: | C-TERMINAL BINDING PROTEIN 3, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PRO-ILE-ASP-LEU-SER-LYS-LYS PEPTIDE | | Authors: | Nardini, M, Spano, S, Cericola, C, Pesce, A, Massaro, A, Millo, E, Luini, A, Corda, D, Bolognesi, M. | | Deposit date: | 2003-03-13 | | Release date: | 2003-06-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Ctbp/Bars: A Dual-Function Protein Involved in Transcription Co-Repression and Golgi Membrane Fission
Embo J., 22, 2003
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4J5F
 | | Crystal Structure of B. thuringiensis AiiA mutant F107W | | Descriptor: | GLYCEROL, N-acyl homoserine lactonase, ZINC ION | | Authors: | Liu, C.F, Liu, D, Momb, J, Thomas, P.W, Lajoie, A, Petsko, G.A, Fast, W, Ringe, D. | | Deposit date: | 2013-02-08 | | Release date: | 2013-06-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | A phenylalanine clamp controls substrate specificity in the quorum-quenching metallo-gamma-lactonase from Bacillus thuringiensis.
Biochemistry, 52, 2013
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2EXX
 | | Crystal structure of HSCARG from Homo sapiens in complex with NADP | | Descriptor: | GLYCEROL, HSCARG protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Dai, X, Chen, Q, Yao, D, Liang, Y, Dong, Y, Gu, X, Zheng, X, Luo, M. | | Deposit date: | 2005-11-09 | | Release date: | 2006-11-21 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Restructuring of the dinucleotide-binding fold in an NADP(H) sensor protein.
Proc.Natl.Acad.Sci.USA, 104, 2007
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3MYQ
 | | Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, ... | | Authors: | Grazulis, S, Manakova, E, Golovenko, D. | | Deposit date: | 2010-05-11 | | Release date: | 2011-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII.
Bioorg.Med.Chem., 18, 2010
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6D22
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2FGI
 | | CRYSTAL STRUCTURE OF THE TYROSINE KINASE DOMAIN OF FGF RECEPTOR 1 IN COMPLEX WITH INHIBITOR PD173074 | | Descriptor: | 1-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)-PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA, PROTEIN (FIBROBLAST GROWTH FACTOR (FGF) RECEPTOR 1) | | Authors: | Mohammadi, M, Froum, S, Hamby, J.M, Schroeder, M, Panek, R.L, Lu, G.H, Eliseenkova, A.V, Green, D, Schlessinger, J, Hubbard, S.R. | | Deposit date: | 1998-09-15 | | Release date: | 1999-09-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of an angiogenesis inhibitor bound to the FGF receptor tyrosine kinase domain.
EMBO J., 17, 1998
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2FH8
 | | Crystal Structure Analysis of Klebsiella pneumoniae pullulanase complexed with isomaltose | | Descriptor: | Alpha-dextrin endo-1,6-alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-beta-D-glucopyranose | | Authors: | Mikami, B, Iwamoto, H, Katsuya, Y, Yoon, H.-J, Demirkan-Sarikaya, E, Malle, D. | | Deposit date: | 2005-12-23 | | Release date: | 2006-06-13 | | Last modified: | 2022-03-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of pullulanase: evidence for parallel binding of oligosaccharides in the active site
J.Mol.Biol., 359, 2006
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2CCR
 | | Structure of Beta-1,4-Galactanase | | Descriptor: | CALCIUM ION, TRIETHYLENE GLYCOL, YVFO, ... | | Authors: | Le Nours, J, De Maria, L, Welner, D, Jorgensen, C.T, Christensen, L.L.H, Larsen, S, Lo Leggio, L. | | Deposit date: | 2006-01-18 | | Release date: | 2006-03-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Investigating the Binding of Beta-1,4-Galactan to Bacillus Licheniformis Beta-1,4-Galactanase by Crystallography and Computational Modeling.
Proteins, 75, 2009
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1LJO
 | | CRYSTAL STRUCTURE OF AN SM-LIKE PROTEIN (AF-SM2) FROM ARCHAEOGLOBUS FULGIDUS AT 1.95A RESOLUTION | | Descriptor: | ACETIC ACID, Archaeal Sm-like protein AF-Sm2, CADMIUM ION | | Authors: | Toro, I, Basquin, J, Teo-Dreher, H, Suck, D. | | Deposit date: | 2002-04-22 | | Release date: | 2002-07-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Archaeal Sm proteins form heptameric and hexameric complexes: crystal structures of the Sm1 and Sm2 proteins from the hyperthermophile Archaeoglobus fulgidus.
J.Mol.Biol., 320, 2002
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3OZS
 | | Rat catechol O-methyltransferase in complex with a catechol-type, trifluoromethyl-imidazolyl-containing inhibitor - humanized form | | Descriptor: | Catechol O-methyltransferase, MAGNESIUM ION, N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-1-yl]oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide | | Authors: | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | | Deposit date: | 2010-09-27 | | Release date: | 2011-03-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors
Chemistry, 17, 2011
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2CLF
 | | Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2- amino-1-ethylphosphate (F6) - highF6 complex | | Descriptor: | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | | Authors: | Ngo, H, Harris, R, Kimmich, N, Casino, P, Niks, D, Blumenstein, L, Barends, T.R, Kulik, V, Weyand, M, Schlichting, I, Dunn, M.F. | | Deposit date: | 2006-04-27 | | Release date: | 2007-06-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Synthesis and Characterization of Allosteric Probes of Substrate Channeling in the Tryptophan Synthase Bienzyme Complex.
Biochemistry, 46, 2007
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6CY7
 | | Human Stimulator of Interferon Genes | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, GLYCEROL, IMIDAZOLE, ... | | Authors: | Fernandez, D, Li, L, Ergun, S.L. | | Deposit date: | 2018-04-04 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | STING Polymer Structure Reveals Mechanisms for Activation, Hyperactivation, and Inhibition.
Cell, 178, 2019
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2CWI
 | | X-ray crystal structure analysis of recombinant wild-type canine milk lysozyme (apo-type) | | Descriptor: | Lysozyme C, milk isozyme, SULFATE ION | | Authors: | Akieda, D, Yasui, M, Aizawa, T, Yao, M, Watanabe, N, Tanaka, I, Demura, M, Kawano, K, Nitta, K. | | Deposit date: | 2005-06-20 | | Release date: | 2006-06-20 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.941 Å) | | Cite: | Construction of an expression system of canine milk lysozyme in the methylotrophic yeast Pichia pastoris
To be Published
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1L6H
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2CLH
 | | Tryptophan Synthase in complex with (naphthalene-2'-sulfonyl)-2-amino- 1-ethylphosphate (F19) | | Descriptor: | 2-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | | Authors: | Ngo, H, Harris, R, Kimmich, N, Casino, P, Niks, D, Blumenstein, L, Barends, T.R, Kulik, V, Weyand, M, Schlichting, I, Dunn, M.F. | | Deposit date: | 2006-04-27 | | Release date: | 2007-06-12 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Synthesis and characterization of allosteric probes of substrate channeling in the tryptophan synthase bienzyme complex.
Biochemistry, 46, 2007
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6D1W
 | | human PKD2 F604P mutant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Polycystin-2 | | Authors: | Zheng, W, Yang, X, Bulkley, D, Chen, X.Z, Cao, E. | | Deposit date: | 2018-04-12 | | Release date: | 2018-06-27 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Hydrophobic pore gates regulate ion permeation in polycystic kidney disease 2 and 2L1 channels.
Nat Commun, 9, 2018
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3OWN
 | | Potent macrocyclic renin inhibitors | | Descriptor: | (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4R,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide, (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4S,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide, ACETATE ION, ... | | Authors: | Borkakoti, N, Derbyshire, D. | | Deposit date: | 2010-09-20 | | Release date: | 2010-12-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of potent macrocyclic renin inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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2D00
 | | Subunit F of V-type ATPase/synthase | | Descriptor: | CALCIUM ION, V-type ATP synthase subunit F | | Authors: | Makyio, H, Iino, R, Ikeda, C, Imamura, H, Tamakoshi, M, Iwata, M, Stock, D, Bernal, R.A, Carpenter, E.P, Yoshida, M, Yokoyama, K, Iwata, S. | | Deposit date: | 2005-07-21 | | Release date: | 2005-12-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of a central stalk subunit F of prokaryotic V-type ATPase/synthase from Thermus thermophilus
Embo J., 24, 2005
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